A Single Standard to Determine Multi-Components Method Coupled with Chemometric Methods for the Quantification, Evaluation and Classification of <i>Notopterygii</i> Rhizoma et Radix from Different Regions
An ultra-high-performance liquid chromatography-quadrupole/time of flight mass spectrometry is used to identify 33 compounds in <i>Notopterygii</i> rhizoma and radix, after which a single standard to determine multi-components method is established for the simultaneous determination of 1...
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doaj-48d96ba75404440cad3a26a0147a4a532020-11-25T01:58:27ZengMDPI AGMolecules1420-30492019-10-012419357410.3390/molecules24193574molecules24193574A Single Standard to Determine Multi-Components Method Coupled with Chemometric Methods for the Quantification, Evaluation and Classification of <i>Notopterygii</i> Rhizoma et Radix from Different RegionsXie-An Yu0Jin Li1John Teye Azietaku2Wei Liu3Jun He4Yan-Xu Chang5Tianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 300193, ChinaTianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 300193, ChinaTianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 300193, ChinaTianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 300193, ChinaTianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 300193, ChinaTianjin State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin 300193, ChinaAn ultra-high-performance liquid chromatography-quadrupole/time of flight mass spectrometry is used to identify 33 compounds in <i>Notopterygii</i> rhizoma and radix, after which a single standard to determine multi-components method is established for the simultaneous determination of 19 compounds in <i>Notopterygii</i> rhizoma and radix using chlorogenic acid and notopterol as the internal standard. To screen the potential chemical markers among <i>Notopterygii</i> rhizoma and radix planted in its natural germination area and in others, the quantitative data of 19 compounds are analyzed via partial least-squares discriminant analysis (PLS−DA). Depending on the variable importance parameters (VIP) value of PLS−DA, six compounds are selected to be the potential chemical markers for the discrimination of <i>Notopterygii</i> rhizoma and radix planted in the different regions. Furthermore, the Fisher’s discriminant analysis is used to build the models that are used to classify <i>Notopterygii</i> rhizoma and radix from the different regions based on the six chemical markers. Experimental results indicate that <i>Notopterygii</i> rhizoma and radix planted in the Sichuan province are distinguished successfully from those in other regions, reaching a 96.0% accuracy rating. Therefore, a single standard to determine multi-components method combined with a chemometrics method, which contains the advantages such as simple, rapid, economical and accurate identification, offers a new perspective for the quantification, evaluation and classification of <i>Notopterygii</i> rhizoma and radix from the different regions.https://www.mdpi.com/1420-3049/24/19/3574chemometricsdifferent regions<i>notopterygii</i> rhizoma and radix |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Xie-An Yu Jin Li John Teye Azietaku Wei Liu Jun He Yan-Xu Chang |
spellingShingle |
Xie-An Yu Jin Li John Teye Azietaku Wei Liu Jun He Yan-Xu Chang A Single Standard to Determine Multi-Components Method Coupled with Chemometric Methods for the Quantification, Evaluation and Classification of <i>Notopterygii</i> Rhizoma et Radix from Different Regions Molecules chemometrics different regions <i>notopterygii</i> rhizoma and radix |
author_facet |
Xie-An Yu Jin Li John Teye Azietaku Wei Liu Jun He Yan-Xu Chang |
author_sort |
Xie-An Yu |
title |
A Single Standard to Determine Multi-Components Method Coupled with Chemometric Methods for the Quantification, Evaluation and Classification of <i>Notopterygii</i> Rhizoma et Radix from Different Regions |
title_short |
A Single Standard to Determine Multi-Components Method Coupled with Chemometric Methods for the Quantification, Evaluation and Classification of <i>Notopterygii</i> Rhizoma et Radix from Different Regions |
title_full |
A Single Standard to Determine Multi-Components Method Coupled with Chemometric Methods for the Quantification, Evaluation and Classification of <i>Notopterygii</i> Rhizoma et Radix from Different Regions |
title_fullStr |
A Single Standard to Determine Multi-Components Method Coupled with Chemometric Methods for the Quantification, Evaluation and Classification of <i>Notopterygii</i> Rhizoma et Radix from Different Regions |
title_full_unstemmed |
A Single Standard to Determine Multi-Components Method Coupled with Chemometric Methods for the Quantification, Evaluation and Classification of <i>Notopterygii</i> Rhizoma et Radix from Different Regions |
title_sort |
single standard to determine multi-components method coupled with chemometric methods for the quantification, evaluation and classification of <i>notopterygii</i> rhizoma et radix from different regions |
publisher |
MDPI AG |
series |
Molecules |
issn |
1420-3049 |
publishDate |
2019-10-01 |
description |
An ultra-high-performance liquid chromatography-quadrupole/time of flight mass spectrometry is used to identify 33 compounds in <i>Notopterygii</i> rhizoma and radix, after which a single standard to determine multi-components method is established for the simultaneous determination of 19 compounds in <i>Notopterygii</i> rhizoma and radix using chlorogenic acid and notopterol as the internal standard. To screen the potential chemical markers among <i>Notopterygii</i> rhizoma and radix planted in its natural germination area and in others, the quantitative data of 19 compounds are analyzed via partial least-squares discriminant analysis (PLS−DA). Depending on the variable importance parameters (VIP) value of PLS−DA, six compounds are selected to be the potential chemical markers for the discrimination of <i>Notopterygii</i> rhizoma and radix planted in the different regions. Furthermore, the Fisher’s discriminant analysis is used to build the models that are used to classify <i>Notopterygii</i> rhizoma and radix from the different regions based on the six chemical markers. Experimental results indicate that <i>Notopterygii</i> rhizoma and radix planted in the Sichuan province are distinguished successfully from those in other regions, reaching a 96.0% accuracy rating. Therefore, a single standard to determine multi-components method combined with a chemometrics method, which contains the advantages such as simple, rapid, economical and accurate identification, offers a new perspective for the quantification, evaluation and classification of <i>Notopterygii</i> rhizoma and radix from the different regions. |
topic |
chemometrics different regions <i>notopterygii</i> rhizoma and radix |
url |
https://www.mdpi.com/1420-3049/24/19/3574 |
work_keys_str_mv |
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