HPLC/qTOF-MS-oriented characteristic components data set and chemometric analysis for the holistic quality control of complex TCM preparations: Niuhuang Shangqing pill as an example

doi:10.1016/j.jpba.2013.10.042

CORC > 上海药物研究所 > 中国科学院上海药物研究所 > 上海中药现代化研究中心

	HPLC/qTOF-MS-oriented characteristic components data set and chemometric analysis for the holistic quality control of complex TCM preparations: Niuhuang Shangqing pill as an example
	Wang, Dan-dan 1; Liang, Jian 2; Yang, Wen-zhi 1; Hou, Jin-jun1 ; Yang, Min 1; Da, Juan 1; Wang, Ying 3; Jiang, Bao-hong1 ; Liu, Xuan 1; Wu, Wan-ying1
刊名	JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
	2014-02-15
卷号	89 页码:130-141
关键词	Complex traditional Chinese medicine preparation Characteristic components data set High performance liquid chromatography/quadrupole time-of-flight mass spectrometry Chemometrics Niuhuang Shangqing pill
ISSN号	0731-7085
DOI	10.1016/j.jpba.2013.10.042
文献子类	Article
英文摘要	The quality control of Da-Fu-Fang (DFF), referring to the traditional Chinese medicine (TCM) preparations comprising more than 10 TCMs, is challenging due to their extreme chemical complexity. In this study, a strategy is proposed for the holistic quality control of DFFs based on HPLC/qTOF-MS-oriented characteristic components data set (CCDS) and chemometric analysis. Niuhuang Shangqing pill (NHSQP), composed of 19 TCMs, is used to illustrate this strategy. The fingerprint profiling of NHSQP by HPLC/qTOF-MS resulted in the characterization of 190 compounds, comprising 47 unambiguously identified by reference standard comparison. A CCDS containing 60 characteristic components was constructed by analyzing the MS spectral differentiation of the crude drugs, a laboratory-made NHSQP powder, and negative control preparations. With the established CCDS, it was possible to simultaneously monitor 16 out of the 19 drugs involved in NHSQP. Subsequently, 26 NHSQP samples from different vendors were evaluated by the qualitative and semi-quantitative analyses of their LC/MS fingerprint data. The 60 characteristic components were detected in all of the NHSQP samples, which demonstrated their authenticity. When compared with the standard sample No. 3, however, 15 of the NHSQP samples exhibited inferior quality. Samples No. 21 and No. 13 differed significantly based on a PCA score plot, and the components responsible for the differentiation were confirmed to originate from different TCMs. This strategy is a powerful and easy method to implement and provides a potential approach to establishing the holistic quality control of complex TCM preparations. (C) 2013 Elsevier B.V. All rights reserved.
资助项目	National Natural Science Foundation committee of China[90612002] ; Twelfth Five-Year National Science & Technology Support Program[2012BAI29B06]
WOS关键词	FLIGHT MASS-SPECTROMETRY ; PERFORMANCE LIQUID-CHROMATOGRAPHY ; CHINESE MEDICINE ; STRUCTURAL-CHARACTERIZATION ; PHENOLIC-COMPOUNDS ; ARRAY DETECTION ; CLASSIFICATION ; ACIDS ; DIFFERENTIATION ; IDENTIFICATION
WOS研究方向	Chemistry ; Pharmacology & Pharmacy
语种	英语
出版者	ELSEVIER SCIENCE BV
WOS记录号	WOS:000330487000020
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/277185]
专题	上海中药现代化研究中心
通讯作者	Wu, Wan-ying
作者单位	1.Chinese Acad Sci, Shanghai Inst Mat Med, Shanghai Res Ctr Modernizat Tradit Chinese Med, Natl Engn Lab TCM Standardizat Technol, Shanghai 201203, Peoples R China; 2.Shenyang Pharmaceut Univ, Shenyang 110016, Peoples R China; 3.Agilent Technol, Shanghai 200131, Peoples R China
推荐引用方式 GB/T 7714	Wang, Dan-dan,Liang, Jian,Yang, Wen-zhi,et al. HPLC/qTOF-MS-oriented characteristic components data set and chemometric analysis for the holistic quality control of complex TCM preparations: Niuhuang Shangqing pill as an example[J]. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,2014,89:130-141.
APA	Wang, Dan-dan.,Liang, Jian.,Yang, Wen-zhi.,Hou, Jin-jun.,Yang, Min.,...&Guo, De-An.(2014).HPLC/qTOF-MS-oriented characteristic components data set and chemometric analysis for the holistic quality control of complex TCM preparations: Niuhuang Shangqing pill as an example.JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,89,130-141.
MLA	Wang, Dan-dan,et al."HPLC/qTOF-MS-oriented characteristic components data set and chemometric analysis for the holistic quality control of complex TCM preparations: Niuhuang Shangqing pill as an example".JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS 89(2014):130-141.