Insight into chemical basis of traditional Chinese medicine based on the state-of-the-art techniques of liquid chromatography-mass spectrometry

doi:10.1016/j.apsb.2021.02.017

	Insight into chemical basis of traditional Chinese medicine based on the state-of-the-art techniques of liquid chromatography-mass spectrometry
	Yu, Yang 1,2; Yao, Changliang 1; Guo, De-an 1,2
刊名	ACTA PHARMACEUTICA SINICA B
	2021-06-01
卷号	11 期号:6 页码:1469-1492
关键词	Liquid chromatography-mass spectrometry Qualitative analysis Traditional Chinese medicine Data acquisition Data post-processing
ISSN号	2211-3835
DOI	10.1016/j.apsb.2021.02.017
通讯作者	Guo, De-an(daguo@simm.ac.cn)
英文摘要	Traditional Chinese medicine (TCM) has been an indispensable source of drugs for curing various human diseases. However, the inherent chemical diversity and complexity of TCM restricted the safety and efficacy of its usage. Over the past few decades, the combination of liquid chromatography with mass spectrometry has contributed greatly to the TCM qualitative analysis. And novel approaches have been continuously introduced to improve the analytical performance, including both the data acquisition methods to generate a large and informative dataset, and the data post-processing tools to extract the structure-related MS information. Furthermore, the fast-developing computer techniques and big data analytics have markedly enriched the data processing tools, bringing benefits of high efficiency and accuracy. To provide an up-to-date review of the latest techniques on the TCM qualitative analysis, multiple data-independent acquisition methods and data-dependent acquisition methods (precursor ion list, dynamic exclusion, mass tag, precursor ion scan, neutral loss scan, and multiple reaction monitoring) and post-processing techniques (mass defect filtering, diagnostic ion filtering, neutral loss filtering, mass spectral trees similarity filter, molecular networking, statistical analysis, database matching, etc.) were summarized and categorized. Applications of each technique and integrated analytical strategies were highlighted, discussion and future perspectives were proposed as well. (C) 2021 Chinese Pharmaceutical Association and Institute of Materia Medica, Chinese Academy of Medical Sciences. Production and hosting by Elsevier B.V.
资助项目	National Key R&D Program of China[2018YFC1707900] ; National Key R&D Program of China[2019YFC1711000] ; National Key R&D Program of China[2019YFC1711400] ; National Natural Science Foundation of China[82003938] ; Qi-Huang Scholar of National Traditional Chinese Medicine Leading Talents Support Program (2018) ; State Key Program of National Natural Science Foundation of China[81530095]
WOS关键词	ION FILTERING STRATEGY ; NEUTRAL-LOSS SCAN ; NATURAL COMPOUNDS CHARACTERIZATION ; RETENTION TIME PREDICTION ; CARTHAMUS-TINCTORIUS L. ; Q-TOF-MS ; MOLECULAR NETWORKING ; INTEGRATED STRATEGY ; METABOLITE IDENTIFICATION ; RAPID IDENTIFICATION
WOS研究方向	Pharmacology & Pharmacy
语种	英语
出版者	INST MATERIA MEDICA, CHINESE ACAD MEDICAL SCIENCES
WOS记录号	WOS:000664915700009
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/296924]
专题	中国科学院上海药物研究所
通讯作者	Guo, De-an
作者单位	1.Chinese Acad Sci, Shanghai Res Ctr Modernizat Tradit Chinese Med, Shanghai Inst Mat Med, Natl Engn Lab TCM Standardizat Technol, Shanghai 201203, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Yu, Yang,Yao, Changliang,Guo, De-an. Insight into chemical basis of traditional Chinese medicine based on the state-of-the-art techniques of liquid chromatography-mass spectrometry[J]. ACTA PHARMACEUTICA SINICA B,2021,11(6):1469-1492.
APA	Yu, Yang,Yao, Changliang,&Guo, De-an.(2021).Insight into chemical basis of traditional Chinese medicine based on the state-of-the-art techniques of liquid chromatography-mass spectrometry.ACTA PHARMACEUTICA SINICA B,11(6),1469-1492.
MLA	Yu, Yang,et al."Insight into chemical basis of traditional Chinese medicine based on the state-of-the-art techniques of liquid chromatography-mass spectrometry".ACTA PHARMACEUTICA SINICA B 11.6(2021):1469-1492.