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Metabolomics Combined with Multivariate Statistical Analysis for Screening of Chemical Markers between Gentiana scabra and Gentiana rigescens

文献类型：期刊论文

作者Zhang, Gaole1,3; Li, Yun1,2; Wei, Wenlong1; Li, Jiayuan1; Li, Haoju1; Huang, Yong1; Guo, De-an1,3
刊名MOLECULES
出版日期2020-03-01
卷号25期号:5页码:17
关键词Gentianae Radix et Rhizome Gentiana scabra Gentiana rigescens metabolomics UPLC LTQ-Orbitrap-MS chemical markers
DOI10.3390/molecules25051228
通讯作者Guo, De-an(daguo@simm.ac.cn)
英文摘要Gentianae Radix et Rhizome (Longdan in Chinese, GRR) in Chinese Pharmacopoeia is derived from the dried roots and rhizomes of Gentiana scabra and G. rigescens, that have long been used for heat-clearing and damp-drying in the medicinal history of China. However, the characterization of the chemical components of two species and the screening of chemical markers still remain unsolved. In current research, the identification and characterization of chemical components of two species was performed using ultra-high-performance liquid chromatography (UHPLC) coupled with linear ion trap-Orbitrap (LTQ-Orbitrap) mass spectrometry. Subsequently, the chemical markers of two species were screened based on metabolomics and multivariate statistical analysis. In total, 87 chemical constituents were characterized in G. scabra (65 chemical constituents) and G. rigescens (51 chemical constituents), with 29 common chemical constituents being discovered. Thereafter, 11 differential characteristic components which could differentiate the two species were designated with orthogonal partial least squares discriminant analysis (OPLS-DA) and random forest (RF) iterative modeling. Finally, seven characteristic components identified as (+)-syringaresinol, lutonarin, trifloroside, 4-O-beta -d-glu-trifloroside, 4 '' -O-beta -d-glucopyranosy1-6 ' -O-(4-O-beta -d-glucaffeoyl)-linearroside, macrophylloside a and scabraside were selected as the chemical markers for the recognition of two Gentiana species. It was implied that the results could distinguish the GRR derived from different botanical sources, and also be beneficial in the rational clinical use of GRR.
WOS关键词SECOIRIDOID GLYCOSIDES ; ANTIOXIDANT ; POLYSACCHARIDES ; OPTIMIZATION ; EXTRACTION ; BUNGE ; HERBS ; ROOT
资助项目National Natural Science Foundation of China[81530095] ; National Natural Science Foundation of China[81673591] ; Strategic Priority Research Program of the Chinese Academy of Sciences[XDA12020348] ; National Standardization of Traditional Chinese Medicines Project[ZYBZH-K-LN-01] ; Science and Technology Commission Foundation of Shanghai[15DZ0502800]
WOS研究方向Biochemistry & Molecular Biology ; Chemistry
语种英语
WOS记录号WOS:000529219900211
出版者MDPI
源URL[http://119.78.100.183/handle/2S10ELR8/280510]  
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.China Pharmaceut Univ, Dept Tradit Chinese Med, Tongjiaxiang 24, Nanjing 210009, Peoples R China
3.Changchun Univ Chinese Med, Sch Pharmaceut Sci, Changchun 130117, Peoples R China
推荐引用方式
GB/T 7714		 Zhang, Gaole,Li, Yun,Wei, Wenlong,et al. Metabolomics Combined with Multivariate Statistical Analysis for Screening of Chemical Markers between Gentiana scabra and Gentiana rigescens[J]. MOLECULES,2020,25(5):17.
APA Zhang, Gaole.,Li, Yun.,Wei, Wenlong.,Li, Jiayuan.,Li, Haoju.,...&Guo, De-an.(2020).Metabolomics Combined with Multivariate Statistical Analysis for Screening of Chemical Markers between Gentiana scabra and Gentiana rigescens.MOLECULES,25(5),17.
MLA Zhang, Gaole,et al."Metabolomics Combined with Multivariate Statistical Analysis for Screening of Chemical Markers between Gentiana scabra and Gentiana rigescens".MOLECULES 25.5(2020):17.

入库方式： OAI收割

来源：上海药物研究所

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