Global profiling combined with predicted metabolites screening for discovery of natural compounds: Characterization of ginsenosides in the leaves of Panax notoginseng as a case study
文献类型：期刊论文
| 作者 | Yao, Chang-liang1,2; Pan, Hui-qin1,2; Wang, Hui; Yao, Shuai1,3; Yang, Wen-zhi1; Hou, Jin-jun1 ; Jin, Qing-hao1; Wu, Wan-ying1; Guo, De-an1
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| 刊名 | JOURNAL OF CHROMATOGRAPHY A
 |
| 出版日期 | 2018-02-23 |
| 卷号 | 1538页码:34-44 |
| 关键词 | LC-MS guided isolation Offline two-dimensional liquid chromatography Quadrupole time-of-flight mass spectrometry Leaves of Panax notoginseng Ginsenoside Predicted metabolites screening |
| ISSN号 | 0021-9673 |
| DOI | 10.1016/j.chroma.2018.01.040 |
| 文献子类 | Article |
| 英文摘要 | Liquid chromatography-mass spectrometry (LC-MS) guided isolation is a favored strategy to quickly and efficiently explore the chemical diversity of herbal medicines. In this study, two methods were adopted to improve the performance of the strategy, including offline two-dimensional (2D) LC to extend the peak capacities and predicted metabolites screening (PMS) to automatically screen the targets with expanded databases. Ginsenosides in the leaves of Panax notoginseng (PNL) were taken as a case. An offline 2D LC system was constructed with an orthogonality of 0.69 and peak capacity of 8925. Quadrupole time of-flight mass spectrometry-fast data directed analysis (QTOF-Fast DDA) was employed for detection of the ginsenosides in the fractioned samples. Four modified groups, including glucose, xylose, rhamnose and malonyl, were adopted and markedly extended the screening coverage. The combined strategy showed about 7.5 times improvement in the screening capability. PMS is conveniently and automatically implemented in UNIFI. Using this strategy, 945 ginsenosides were discovered from PNL, including 662 potentially novel ginsenosides. Furthermore, two new ginsenosides were purified, and unambiguously identified by NMR analysis, partially demonstrating the LC-MS guided isolation. The combined strategy can also be applied in characterizing and discovering new bioactive constituents from other herbal medicines. (C) 2018 Elsevier B.V. All rights reserved. |
| WOS关键词 | FLIGHT-MASS-SPECTROMETRY ; 2-DIMENSIONAL LIQUID-CHROMATOGRAPHY ; QUADRUPOLE-TIME ; ION-TRAP ; COMPREHENSIVE CHARACTERIZATION ; COLUMN CHROMATOGRAPHY ; CARTHAMUS-TINCTORIUS ; EFFICIENT DISCOVERY ; FLOWER BUDS ; ORBITRAP-MS |
| 资助项目 | National Natural Science Foundation of China[81473344] |
| WOS研究方向 | Biochemistry & Molecular Biology ; Chemistry |
| 语种 | 英语 |
| WOS记录号 | WOS:000426230700005 |
| 出版者 | ELSEVIER SCIENCE BV |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/279890]  |
| 专题 | 上海中药现代化研究中心 |
| 通讯作者 | Wu, Wan-ying; 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, 501 Haike Rd, Shanghai 201203, Peoples R China; 2.Univ Chinese Acad Sci, 19A Yuquan Rd, Beijing 100049, Peoples R China; 3.Waters Technol Ltd Shanghai, 1000 Jinhai Rd, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Yao, Chang-liang,Pan, Hui-qin,Wang, Hui,et al. Global profiling combined with predicted metabolites screening for discovery of natural compounds: Characterization of ginsenosides in the leaves of Panax notoginseng as a case study[J]. JOURNAL OF CHROMATOGRAPHY A,2018,1538:34-44. |
| APA | Yao, Chang-liang.,Pan, Hui-qin.,Wang, Hui.,Yao, Shuai.,Yang, Wen-zhi.,...&Guo, De-an.(2018).Global profiling combined with predicted metabolites screening for discovery of natural compounds: Characterization of ginsenosides in the leaves of Panax notoginseng as a case study.JOURNAL OF CHROMATOGRAPHY A,1538,34-44. |
| MLA | Yao, Chang-liang,et al."Global profiling combined with predicted metabolites screening for discovery of natural compounds: Characterization of ginsenosides in the leaves of Panax notoginseng as a case study".JOURNAL OF CHROMATOGRAPHY A 1538(2018):34-44. |
入库方式： OAI收割
来源：上海药物研究所
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