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Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry

Medicinal property, which is closely related to drug chemical profiling, is the essence of traditional Chinese medicine (TCM) theory and has always been the focus of modern Chinese medicine. Based on dozens of classic and commonly used TCM herbs with recognized medicinal properties, the present stud...

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Autores principales: Zhang, Jie, Guo, Wenna, Li, Qiao, Sun, Faxin, Xu, Xiaomeng, Xu, Hui
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Hindawi 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7085404/
https://www.ncbi.nlm.nih.gov/pubmed/32215034
http://dx.doi.org/10.1155/2020/3141340
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author Zhang, Jie
Guo, Wenna
Li, Qiao
Sun, Faxin
Xu, Xiaomeng
Xu, Hui
author_facet Zhang, Jie
Guo, Wenna
Li, Qiao
Sun, Faxin
Xu, Xiaomeng
Xu, Hui
author_sort Zhang, Jie
collection PubMed
description Medicinal property, which is closely related to drug chemical profiling, is the essence of traditional Chinese medicine (TCM) theory and has always been the focus of modern Chinese medicine. Based on dozens of classic and commonly used TCM herbs with recognized medicinal properties, the present study just aimed to investigate the feasibility and reliability of medicinal property discriminant by using (1)H-NMR spectrometry, which provided a mass of spectral data showing holistic chemical profile for multivariate analysis and data mining, including principal component analysis (PCA), Fisher linear discriminant analysis (FLDA), and canonical discriminant analysis (CDA). By using FLDA for two-class recognition, a large majority of test herbs (59/61) were properly discriminated as cold or hot group, and the only two exceptions were Chuanbeimu (Fritillariae Cirrhosae Bulbus) and Rougui (Cinnamomi Cortex), suggesting that medicinal properties interrelate with flavor and body tropism, and all these factors together bring up medicinal property and efficacy. While by performing CDA, 98.4% of the original grouped herbs and 77.0% of the leave-one-out cross-validated grouped cases were correctly classified. The findings demonstrated that discriminant analysis based on holistic chemical profiling data by (1)H-NMR spectrometry may provide a powerful alternative to have a deeper understanding of TCM medicinal property.
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spelling pubmed-70854042020-03-25 Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry Zhang, Jie Guo, Wenna Li, Qiao Sun, Faxin Xu, Xiaomeng Xu, Hui Evid Based Complement Alternat Med Research Article Medicinal property, which is closely related to drug chemical profiling, is the essence of traditional Chinese medicine (TCM) theory and has always been the focus of modern Chinese medicine. Based on dozens of classic and commonly used TCM herbs with recognized medicinal properties, the present study just aimed to investigate the feasibility and reliability of medicinal property discriminant by using (1)H-NMR spectrometry, which provided a mass of spectral data showing holistic chemical profile for multivariate analysis and data mining, including principal component analysis (PCA), Fisher linear discriminant analysis (FLDA), and canonical discriminant analysis (CDA). By using FLDA for two-class recognition, a large majority of test herbs (59/61) were properly discriminated as cold or hot group, and the only two exceptions were Chuanbeimu (Fritillariae Cirrhosae Bulbus) and Rougui (Cinnamomi Cortex), suggesting that medicinal properties interrelate with flavor and body tropism, and all these factors together bring up medicinal property and efficacy. While by performing CDA, 98.4% of the original grouped herbs and 77.0% of the leave-one-out cross-validated grouped cases were correctly classified. The findings demonstrated that discriminant analysis based on holistic chemical profiling data by (1)H-NMR spectrometry may provide a powerful alternative to have a deeper understanding of TCM medicinal property. Hindawi 2020-03-09 /pmc/articles/PMC7085404/ /pubmed/32215034 http://dx.doi.org/10.1155/2020/3141340 Text en Copyright © 2020 Jie Zhang et al. http://creativecommons.org/licenses/by/4.0/ This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
spellingShingle Research Article
Zhang, Jie
Guo, Wenna
Li, Qiao
Sun, Faxin
Xu, Xiaomeng
Xu, Hui
Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry
title Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry
title_full Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry
title_fullStr Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry
title_full_unstemmed Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry
title_short Discriminant Analysis of Traditional Chinese Medicinal Properties Based on Holistic Chemical Profiling by (1)H-NMR Spectrometry
title_sort discriminant analysis of traditional chinese medicinal properties based on holistic chemical profiling by (1)h-nmr spectrometry
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7085404/
https://www.ncbi.nlm.nih.gov/pubmed/32215034
http://dx.doi.org/10.1155/2020/3141340
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