A systematic strategy integrating solid-phase extraction, full scan range splitting, mass defect filter and precursor ion list for comprehensive metabolite profiling of Danqi Tongmai tablet in rats

doi:10.1016/j.jpba.2021.113989

	A systematic strategy integrating solid-phase extraction, full scan range splitting, mass defect filter and precursor ion list for comprehensive metabolite profiling of Danqi Tongmai tablet in rats
	Li, Zhen-wei 1,2; Wei, Wen-long 1; Li, Hao-jv 1,2; Wu, Shi-fei 1; Huang, Yong 1; Yao, Chang-liang 1; Zhang, Jian-qing 1; Li, Jia-yuan 1; Bi, Qi-rui 1; Guo, De-an 1,2
刊名	JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS
	2021-05-10
卷号	198 页码:9
关键词	Metabolite profiling Solid-phase extraction Mass defect filter Precursor ion list Danqi Tongmai tablet
ISSN号	0731-7085
DOI	10.1016/j.jpba.2021.113989
通讯作者	Guo, De-an(daguo@simm.ac.cn)
英文摘要	In vivo metabolite profiling of herbal medicines remains a challenge due to the complex chemical composition and drastic interference from biological matrix. In this study, a systematic strategy was established for comprehensive metabolite profiling of Danqi Tongmai (DQTM) tablet, a combination of salvianolic acids and notoginsenosides, in rats after oral administration. This strategy was composed of six steps. Firstly, the rat plasma and tissue samples were collected at multiple time points to increase the representativeness of samples. Secondly, different sample preparation methods were systematically investigated including protein precipitation, liquid-liquid extraction and solid-phase extraction to obtain superior extraction efficiency for both salvianolic acids and notoginsenosides. Thirdly, the MS acquisition method was optimized by splitting the full scan range into two separate segments to improve the detection capability for minor components. Fourthly, an extended polygonal mass defect filter (EP-MDF) model was constructed to filter potential metabolites of salvianolic acids and notoginsenosides, and remove large amounts of interference ions. Fifthly, ion intensity-based time point-staggered precursor ion list (IITPS-PIL) was generated to trigger more targeted MS/MS acquisition for potential metabolites at the highest concentration. Finally, the absorbed prototypes and metabolites were comprehensively characterized by reference standards and MS/MS fragmentation. The proposed strategy significantly improved the detection ability for trace prototypes and metabolites in vivo. A total of 370 components, including 94 prototypes (38 confirmed with reference standards) and 276 metabolites, were tentatively characterized in rat plasma and tissue samples after oral administration of DQTM. Collectively, this paper provided an applicable reference for comprehensive metabolite profiling of herbal medicines in complex biological samples. (C) 2021 Elsevier B.V. All rights reserved.
资助项目	National Natural Science Foundation of China[81530095]
WOS关键词	PHENOLIC-ACIDS ; GINSENOSIDES
WOS研究方向	Chemistry ; Pharmacology & Pharmacy
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000636654000009
内容类型	期刊论文
源URL	[http://119.78.100.183/handle/2S10ELR8/295236]
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, Haike Rd 501, Shanghai 201203, Peoples R China 2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
推荐引用方式 GB/T 7714	Li, Zhen-wei,Wei, Wen-long,Li, Hao-jv,et al. A systematic strategy integrating solid-phase extraction, full scan range splitting, mass defect filter and precursor ion list for comprehensive metabolite profiling of Danqi Tongmai tablet in rats[J]. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,2021,198:9.
APA	Li, Zhen-wei.,Wei, Wen-long.,Li, Hao-jv.,Wu, Shi-fei.,Huang, Yong.,...&Guo, De-an.(2021).A systematic strategy integrating solid-phase extraction, full scan range splitting, mass defect filter and precursor ion list for comprehensive metabolite profiling of Danqi Tongmai tablet in rats.JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS,198,9.
MLA	Li, Zhen-wei,et al."A systematic strategy integrating solid-phase extraction, full scan range splitting, mass defect filter and precursor ion list for comprehensive metabolite profiling of Danqi Tongmai tablet in rats".JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS 198(2021):9.