Authentication of herbal medicines from multiple botanical origins with cross-validation mebabolomics, absolute quantification and support vector machine model, a case study of Rhizoma Alismatis
文献类型：期刊论文
| 作者 | Zhang, Jianqing3; Wang, Cuicui3; Wu, Wenyong3; Jin, Qinghao2; Wu, Jia3; Yang, Lin3; An, Yaling3; Yao, Changliang3; Wei, Wenlong3; Song, Jingyuan1 |
| 刊名 | ARABIAN JOURNAL OF CHEMISTRY
 |
| 出版日期 | 2022-10-01 |
| 卷号 | 15期号:10页码:8 |
| ISSN号 | 1878-5352 |
| 关键词 | Rhizoma Alismatis Alisma plantago-aquatica Alisma orientale Botanical origins UHPLC/Orbitrap-MS |
| DOI | 10.1016/j.arabjc.2022.104118 |
| 通讯作者 | Wu, Wanying(wanyingwu@simm.ac.cn) ; Guo, De-an(daguo@simm.ac.cn) |
| 英文摘要 | Accurate identification of the botanical origins of Rhizoma Alismatis (RA) is pivotal to its precise clinical usage. We herein present a strategy, by integrating untargeted metabolomics, data cross validation, absolute quantification, and vector machine model, for species discrimination and source recognition of Rhizoma Alismatis for the first time. An ultra-high-performance liquid chromatography/LTQ-Orbitrap mass spectrometry with precursor ions list-including datadependent acquisition approach was developed for metabolite profiling. Holistic, continuous, and pattern recognition chemometrics could make it feasible to unveil forty-one markers, with ``multi-duplicated and traceability samples comparison" cross validation to narrow down to twelve robust markers, some of which were further validated by absolute quantification. A support vector machine model was eventually developed to distinguish these two species and predict origins of commercially available varieties. This was the first report on systematic comparison and discrimination of two original species of RA. This integral strategy, in contrast to conventional approaches, renders more convincing data supporting for the discovery of multi-source chemical makers of traditional Chinese medicines (TCM). (C) 2022 The Authors. Published by Elsevier B.V. on behalf of King Saud University. |
| WOS关键词 | PERFORMANCE LIQUID-CHROMATOGRAPHY ; MASS-SPECTROMETRY ; UNTARGETED METABOLOMICS ; FINGERPRINT ; QUALITY ; CLASSIFICATION ; TIME |
| 资助项目 | National Natural Science Foundation of China[82003940] ; National Traditional Chinese Medicine Inheritance and Innovation One Hundred MillionTalent Project |
| WOS研究方向 | Chemistry |
| 语种 | 英语 |
| 出版者 | ELSEVIER |
| WOS记录号 | WOS:000870760300010 |
| 源URL | [http://119.78.100.183/handle/2S10ELR8/303112]  |
| 专题 | 中国科学院上海药物研究所 |
| 通讯作者 | Wu, Wanying; Guo, De-an |
| 作者单位 | 1.Chinese Acad Med Sci & Peking Union Med Coll, Inst Med Plant Dev, Beijing 100193, Peoples R China 2.Zhejiang Yangshengtang Inst Nat Medicat Co Ltd, Hangzhou 310000, Peoples R China 3.Chinese Acad Sci, Shanghai Inst Mat Med, Haike Rd 501, Shanghai 201203, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhang, Jianqing,Wang, Cuicui,Wu, Wenyong,et al. Authentication of herbal medicines from multiple botanical origins with cross-validation mebabolomics, absolute quantification and support vector machine model, a case study of Rhizoma Alismatis[J]. ARABIAN JOURNAL OF CHEMISTRY,2022,15(10):8. |
| APA | Zhang, Jianqing.,Wang, Cuicui.,Wu, Wenyong.,Jin, Qinghao.,Wu, Jia.,...&Guo, De-an.(2022).Authentication of herbal medicines from multiple botanical origins with cross-validation mebabolomics, absolute quantification and support vector machine model, a case study of Rhizoma Alismatis.ARABIAN JOURNAL OF CHEMISTRY,15(10),8. |
| MLA | Zhang, Jianqing,et al."Authentication of herbal medicines from multiple botanical origins with cross-validation mebabolomics, absolute quantification and support vector machine model, a case study of Rhizoma Alismatis".ARABIAN JOURNAL OF CHEMISTRY 15.10(2022):8. |
入库方式： OAI收割
来源：上海药物研究所
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