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Untargeted metabolomics coupled with chemometric analysis deducing robust markers for discrimination of processing procedures: Wine-processed Angelica sinensis as a case study.
J Sep Sci. 2021 Nov; 44(22):4092-4110.JS

Abstract

Wine-processed Angelica Sinensis is a widely used Chinese medicinal decoction piece in China. However, there are hardly any robust markers indicating the processing procedure of wine-processed Angelica Sinensis, including the amount of rice wine and processing degree. A strategy integrating untargeted metabolomics and chemometric analysis for deducing robust markers was provided and applied to the discrimination of processing procedure. First, 86 compounds were tentatively identified in wine-processed Angelica Sinensis by ultra-high-performance liquid chromatography coupled with quadrupole-time of flight mass spectrometry. Second, 93 potential chemical markers were selected using multivariate analysis, among which nine robust chemical markers were selected by verification with commercial samples. Finally, the effects of processing temperature, time, and amount of rice wine on the three selected chemical markers were investigated through a rapid analytical method. It was demonstrated that both m/z 258.1097 and 238.1189 were positively correlated with the amount of rice wine and processing degree. In summary, this study introduced two candidate processing markers as robust markers for discriminating the processing procedures of wine-processed Angelica sinensis. It also proposed a strategy to provide the reference for the research of other decoction pieces.

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Authors+Show Affiliations

Yin H
School of Chinese Materia Medica, Nanjing University of Chinese Medicine, Nanjing, P. R. China. Shanghai Research Center for Modernization of Traditional Chinese Medicine, National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, P. R. China.
Ni H
School of Chinese Materia Medica, Nanjing University of Chinese Medicine, Nanjing, P. R. China. Shanghai Research Center for Modernization of Traditional Chinese Medicine, National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, P. R. China.
Zhang L
Shanghai Research Center for Modernization of Traditional Chinese Medicine, National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, P. R. China. University of Chinese Academy of Sciences, Beijing, P. R. China.
Wu W
School of Chinese Materia Medica, Nanjing University of Chinese Medicine, Nanjing, P. R. China. Shanghai Research Center for Modernization of Traditional Chinese Medicine, National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, P. R. China.
Wu X
Shanghai Research Center for Modernization of Traditional Chinese Medicine, National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, P. R. China.
Zhang Z
Shanghai Research Center for Modernization of Traditional Chinese Medicine, National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, P. R. China. University of Chinese Academy of Sciences, Beijing, P. R. China.
Long H
Shanghai Research Center for Modernization of Traditional Chinese Medicine, National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, P. R. China. University of Chinese Academy of Sciences, Beijing, P. R. China.
Lei M
Shanghai Research Center for Modernization of Traditional Chinese Medicine, National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, P. R. China. University of Chinese Academy of Sciences, Beijing, P. R. China.
Hou J
Shanghai Research Center for Modernization of Traditional Chinese Medicine, National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, P. R. China. University of Chinese Academy of Sciences, Beijing, P. R. China.
Wu W
School of Chinese Materia Medica, Nanjing University of Chinese Medicine, Nanjing, P. R. China. Shanghai Research Center for Modernization of Traditional Chinese Medicine, National Engineering Laboratory for TCM Standardization Technology, Shanghai Institute of Materia Medica, Chinese Academy of Sciences, Shanghai, P. R. China. University of Chinese Academy of Sciences, Beijing, P. R. China.

MeSH

Angelica sinensisBiomarkersChemometricsDrugs, Chinese HerbalFermentationMass SpectrometryMedicine, Chinese TraditionalMetabolomicsWine

Pub Type(s)

Journal Article

Language

eng

PubMed ID

34510721

Citation

Yin, Haoran, et al. "Untargeted Metabolomics Coupled With Chemometric Analysis Deducing Robust Markers for Discrimination of Processing Procedures: Wine-processed Angelica Sinensis as a Case Study." Journal of Separation Science, vol. 44, no. 22, 2021, pp. 4092-4110.
Yin H, Ni H, Zhang L, et al. Untargeted metabolomics coupled with chemometric analysis deducing robust markers for discrimination of processing procedures: Wine-processed Angelica sinensis as a case study. J Sep Sci. 2021;44(22):4092-4110.
Yin, H., Ni, H., Zhang, L., Wu, W., Wu, X., Zhang, Z., Long, H., Lei, M., Hou, J., & Wu, W. (2021). Untargeted metabolomics coupled with chemometric analysis deducing robust markers for discrimination of processing procedures: Wine-processed Angelica sinensis as a case study. Journal of Separation Science, 44(22), 4092-4110. https://doi.org/10.1002/jssc.202100566
Yin H, et al. Untargeted Metabolomics Coupled With Chemometric Analysis Deducing Robust Markers for Discrimination of Processing Procedures: Wine-processed Angelica Sinensis as a Case Study. J Sep Sci. 2021;44(22):4092-4110. PubMed PMID: 34510721.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Untargeted metabolomics coupled with chemometric analysis deducing robust markers for discrimination of processing procedures: Wine-processed Angelica sinensis as a case study. AU - Yin,Haoran, AU - Ni,Hui, AU - Zhang,Linlin, AU - Wu,Wenyong, AU - Wu,Xingdong, AU - Zhang,Zijia, AU - Long,Huali, AU - Lei,Min, AU - Hou,Jinjun, AU - Wu,Wanying, Y1 - 2021/10/13/ PY - 2021/09/02/revised PY - 2021/07/20/received PY - 2021/09/07/accepted PY - 2021/9/13/pubmed PY - 2022/2/23/medline PY - 2021/9/12/entrez KW - Angelica sinensis KW - processing procedures KW - traditional Chinese medicine KW - untargeted metabolomics KW - wine-processing markers SP - 4092 EP - 4110 JF - Journal of separation science JO - J Sep Sci VL - 44 IS - 22 N2 - Wine-processed Angelica Sinensis is a widely used Chinese medicinal decoction piece in China. However, there are hardly any robust markers indicating the processing procedure of wine-processed Angelica Sinensis, including the amount of rice wine and processing degree. A strategy integrating untargeted metabolomics and chemometric analysis for deducing robust markers was provided and applied to the discrimination of processing procedure. First, 86 compounds were tentatively identified in wine-processed Angelica Sinensis by ultra-high-performance liquid chromatography coupled with quadrupole-time of flight mass spectrometry. Second, 93 potential chemical markers were selected using multivariate analysis, among which nine robust chemical markers were selected by verification with commercial samples. Finally, the effects of processing temperature, time, and amount of rice wine on the three selected chemical markers were investigated through a rapid analytical method. It was demonstrated that both m/z 258.1097 and 238.1189 were positively correlated with the amount of rice wine and processing degree. In summary, this study introduced two candidate processing markers as robust markers for discriminating the processing procedures of wine-processed Angelica sinensis. It also proposed a strategy to provide the reference for the research of other decoction pieces. SN - 1615-9314 UR - https://www.unboundmedicine.com/medline/citation/34510721/Untargeted_metabolomics_coupled_with_chemometric_analysis_deducing_robust_markers_for_discrimination_of_processing_procedures:_Wine_processed_Angelica_sinensis_as_a_case_study_ DB - PRIME DP - Unbound Medicine ER -

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