Direct analysis in real time mass spectrometry and multivariate data analysis: A novel approach to rapid identification of analytical markers for quality control of traditional Chinese medicine preparation. Zeng, S., Wang, L., Chen, T., Wang, Y., Mo, H., & Qu, H. Analytica Chimica Acta, 733:38–47, 2012.
Direct analysis in real time mass spectrometry and multivariate data analysis: A novel approach to rapid identification of analytical markers for quality control of traditional Chinese medicine preparation [link]Paper  doi  abstract   bibtex   
The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.
@article{zeng_direct_2012,
	title = {Direct analysis in real time mass spectrometry and multivariate data analysis: {A} novel approach to rapid identification of analytical markers for quality control of traditional {Chinese} medicine preparation},
	volume = {733},
	issn = {0003-2670},
	url = {http://www.sciencedirect.com/science/article/pii/S000326701200596X},
	doi = {10.1016/j.aca.2012.04.025},
	abstract = {The paper presents a novel strategy to identify analytical markers of traditional Chinese medicine preparation (TCMP) rapidly via direct analysis in real time mass spectrometry (DART-MS). A commonly used TCMP, Danshen injection, was employed as a model. The optimal analysis conditions were achieved by measuring the contribution of various experimental parameters to the mass spectra. Salvianolic acids and saccharides were simultaneously determined within a single 1-min DART-MS run. Furthermore, spectra of Danshen injections supplied by five manufacturers were processed with principal component analysis (PCA). Obvious clustering was observed in the PCA score plot, and candidate markers were recognized from the contribution plots of PCA. The suitability of potential markers was then confirmed by contrasting with the results of traditional analysis methods. Using this strategy, fructose, glucose, sucrose, protocatechuic aldehyde and salvianolic acid A were rapidly identified as the markers of Danshen injections. The combination of DART-MS with PCA provides a reliable approach to the identification of analytical markers for quality control of TCMP.},
	journal = {Analytica Chimica Acta},
	author = {Zeng, Shanshan and Wang, Lu and Chen, Teng and Wang, Yuefei and Mo, Huanbiao and Qu, Haibin},
	year = {2012},
	keywords = {Analytical marker, Direct analysis in real time, Principal component analysis, Traditional Chinese medicine preparation, mass spectrometry},
	pages = {38--47},
}

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