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Characterization of the herb-derived components in rats following oral administration of Carthamus tinctorius extract by extracting diagnostic fragment ions (DFIs) in the MSn chromatograms
Chen, Jin-Feng1; Song, Yue-Lin2; Guo, Xiao-Yu1; Tu, Peng-Fei1,2; Jiang, Yong1
刊名ANALYST
2014-12-21
DOI10.1039/c4an01707b
139期:24页:6474-6485
收录类别SCI
文章类型Article
WOS标题词Science & Technology
类目[WOS]Chemistry, Analytical
资助者National Natural Science Foundation for Excellent Young Scholars of China ; National Key Technology R&amp ; D Program "New Drug Innovation" of China ; National Natural Science Foundation for Excellent Young Scholars of China ; National Key Technology R&amp ; D Program "New Drug Innovation" of China
研究领域[WOS]Chemistry
关键词[WOS]PERFORMANCE LIQUID-CHROMATOGRAPHY ; DATA-PROCESSING TECHNIQUES ; TANDEM MASS-SPECTROMETRY ; CHINESE MEDICINE PRESCRIPTION ; IN-VIVO ; EXTENSION STRATEGY ; RING-FISSION ; IDENTIFICATION ; METABOLITES ; MS/MS
英文摘要

In this study, a new strategy named extracting diagnostic fragment ions (DFIs) in the MSn chromatograms [E(DFI)(MSCs)-Cs-n] was proposed to rapidly detect and identify the in vivo components derived from the extract of Carthamus tinctorius (ECT), using high performance liquid chromatography coupled with hybrid ion trap-time of flight mass spectrometry. In order to comprehensively summarize the DFIs for the global identification of in vivo constituents of ECT, chemical profiling was carried out, and then the typical metabolic pathways of the primary components were proposed according to their chemical categories, by orally administering representative reference compounds. Based on the proposed metabolic pathways and the fragmentation rules, a list of DFIs was constructed and adopted to differentiate and identify the metabolites from the endogenous substances in the MSn chromatograms of ECT-treated biological samples, in combination with the neutral loss scan mode as a supplement. As a result, a total of 156 compounds were tentatively assigned in vivo, including 63, 73, 50, and 17 components from rat plasma, urine, bile, and feces, respectively, following oral administration of ECT. Deglycosylation, oxidation, methylation, sulfonation, and glucuronidation were observed as the major metabolic pathways for the chemical constituents of ECT, and dehydroxylation was detected at the A-ring of flavones for the first time. The findings suggested that the E(DFI)(MSCs)-Cs-n-based strategy which integrated ideas from single compounds to herbal extracts and from extract chemical profiling to in vivo metabolite profiling, could be used as a reliable tool for rapidly discovering and identifying herb-related constituents in vivo.

语种英语
所属项目编号81222051 ; 2012ZX09103201-036 ; 2012ZX09301002-002-002 ; 2012ZX09304-005
资助者National Natural Science Foundation for Excellent Young Scholars of China ; National Key Technology R&amp ; D Program "New Drug Innovation" of China ; National Natural Science Foundation for Excellent Young Scholars of China ; National Key Technology R&amp ; D Program "New Drug Innovation" of China
WOS记录号WOS:000345265300021
引用统计
被引频次:8[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.bjmu.edu.cn/handle/400002259/67007
专题北京大学药学院
作者单位1.Peking Univ, Sch Pharmaceut Sci, State Key Lab Nat & Biomimet Drugs, Beijing 100191, Peoples R China
2.Beijing Univ Chinese Med, Modern Res Ctr Tradit Chinese Med, Beijing 100029, Peoples R China
推荐引用方式
GB/T 7714
Chen, Jin-Feng,Song, Yue-Lin,Guo, Xiao-Yu,et al. Characterization of the herb-derived components in rats following oral administration of Carthamus tinctorius extract by extracting diagnostic fragment ions (DFIs) in the MSn chromatograms[J]. ANALYST,2014,139(24):6474-6485.
APA Chen, Jin-Feng,Song, Yue-Lin,Guo, Xiao-Yu,Tu, Peng-Fei,&Jiang, Yong.(2014).Characterization of the herb-derived components in rats following oral administration of Carthamus tinctorius extract by extracting diagnostic fragment ions (DFIs) in the MSn chromatograms.ANALYST,139(24),6474-6485.
MLA Chen, Jin-Feng,et al."Characterization of the herb-derived components in rats following oral administration of Carthamus tinctorius extract by extracting diagnostic fragment ions (DFIs) in the MSn chromatograms".ANALYST 139.24(2014):6474-6485.
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