Discrimination of volatiles in herbal formula Baizhu Shaoyao San before and after processing using needle trap device with multivariate data analysis

Publication Date:
2018-06-21
Publisher:
Royal Society
Electronic ISSN:
2054-5703
Topics:
Natural Sciences in General
Keywords:
plant science, analytical chemistry
Published by:
http://royalsocietypublishing.org/
_version_ 1836398981016453120
autor Xu, Y., Cai, H., Cao, G., Duan, Y., Pei, K., Zhou, J., Xie, L., Zhao, J., Liu, J., Wang, X., Shen, L.
beschreibung To characterize the chemical differences of volatile components between crude and processed Baizhu Shaoyao San (BSS), a classical Chinese herbal formula that is widely applied in the treatment of gastrointestinal diseases, we developed a gas chromatography–mass spectrometry-based needle trap device combined with multivariate data analysis to globally profile volatile components and rapidly identify differentiating chemical markers. Using a triple-bed needle packed with Carbopack X, DVB and Carboxen 1000 sorbents, we identified 121 and 123 compounds, respectively, in crude and processed BSS. According to the results of principal component analysis and orthogonal partial least-squares discriminant analysis, crude and processed BSS were successfully distinguished into two groups with good fitting and predicting parameters. Furthermore, 21 compounds were identified and adopted as potential markers that could be employed to quickly differentiate these two types of samples using S-PLOT and variable importance in projection analyses. The established method can be applied to explain the chemical transformation of Chinese medicine processing in BSS and further control the quality and understand the processing mechanism of Chinese herbal formulae. Besides, the triple-bed needle selected and optimized in this study can provide a valuable reference for other plant researches with similar components. Furthermore, the systematic research on compound identification and marker discrimination of the complex components in crude and processed BSS could work as an example for other similar studies, such as composition changes in one plant during different growth periods, botanical characters of different medicinal parts in same kind of medicinal herbs and quality identification of one species of medicinal herb from different regions.
citation_standardnr 6289298
datenlieferant ipn_articles
feed_id 220702
feed_publisher Royal Society
feed_publisher_url http://royalsocietypublishing.org/
insertion_date 2018-06-21
journaleissn 2054-5703
publikationsjahr_anzeige 2018
publikationsjahr_facette 2018
publikationsjahr_intervall 7984:2015-2019
publikationsjahr_sort 2018
publisher Royal Society
quelle Royal Society Open Science
relation http://rsos.royalsocietypublishing.org/cgi/content/short/5/6/171987?rss=1
schlagwort plant science, analytical chemistry
search_space articles
shingle_author_1 Xu, Y., Cai, H., Cao, G., Duan, Y., Pei, K., Zhou, J., Xie, L., Zhao, J., Liu, J., Wang, X., Shen, L.
shingle_author_2 Xu, Y., Cai, H., Cao, G., Duan, Y., Pei, K., Zhou, J., Xie, L., Zhao, J., Liu, J., Wang, X., Shen, L.
shingle_author_3 Xu, Y., Cai, H., Cao, G., Duan, Y., Pei, K., Zhou, J., Xie, L., Zhao, J., Liu, J., Wang, X., Shen, L.
shingle_author_4 Xu, Y., Cai, H., Cao, G., Duan, Y., Pei, K., Zhou, J., Xie, L., Zhao, J., Liu, J., Wang, X., Shen, L.
shingle_catch_all_1 Discrimination of volatiles in herbal formula Baizhu Shaoyao San before and after processing using needle trap device with multivariate data analysis
plant science, analytical chemistry
To characterize the chemical differences of volatile components between crude and processed Baizhu Shaoyao San (BSS), a classical Chinese herbal formula that is widely applied in the treatment of gastrointestinal diseases, we developed a gas chromatography–mass spectrometry-based needle trap device combined with multivariate data analysis to globally profile volatile components and rapidly identify differentiating chemical markers. Using a triple-bed needle packed with Carbopack X, DVB and Carboxen 1000 sorbents, we identified 121 and 123 compounds, respectively, in crude and processed BSS. According to the results of principal component analysis and orthogonal partial least-squares discriminant analysis, crude and processed BSS were successfully distinguished into two groups with good fitting and predicting parameters. Furthermore, 21 compounds were identified and adopted as potential markers that could be employed to quickly differentiate these two types of samples using S-PLOT and variable importance in projection analyses. The established method can be applied to explain the chemical transformation of Chinese medicine processing in BSS and further control the quality and understand the processing mechanism of Chinese herbal formulae. Besides, the triple-bed needle selected and optimized in this study can provide a valuable reference for other plant researches with similar components. Furthermore, the systematic research on compound identification and marker discrimination of the complex components in crude and processed BSS could work as an example for other similar studies, such as composition changes in one plant during different growth periods, botanical characters of different medicinal parts in same kind of medicinal herbs and quality identification of one species of medicinal herb from different regions.
Xu, Y., Cai, H., Cao, G., Duan, Y., Pei, K., Zhou, J., Xie, L., Zhao, J., Liu, J., Wang, X., Shen, L.
Royal Society
2054-5703
20545703
shingle_catch_all_2 Discrimination of volatiles in herbal formula Baizhu Shaoyao San before and after processing using needle trap device with multivariate data analysis
plant science, analytical chemistry
To characterize the chemical differences of volatile components between crude and processed Baizhu Shaoyao San (BSS), a classical Chinese herbal formula that is widely applied in the treatment of gastrointestinal diseases, we developed a gas chromatography–mass spectrometry-based needle trap device combined with multivariate data analysis to globally profile volatile components and rapidly identify differentiating chemical markers. Using a triple-bed needle packed with Carbopack X, DVB and Carboxen 1000 sorbents, we identified 121 and 123 compounds, respectively, in crude and processed BSS. According to the results of principal component analysis and orthogonal partial least-squares discriminant analysis, crude and processed BSS were successfully distinguished into two groups with good fitting and predicting parameters. Furthermore, 21 compounds were identified and adopted as potential markers that could be employed to quickly differentiate these two types of samples using S-PLOT and variable importance in projection analyses. The established method can be applied to explain the chemical transformation of Chinese medicine processing in BSS and further control the quality and understand the processing mechanism of Chinese herbal formulae. Besides, the triple-bed needle selected and optimized in this study can provide a valuable reference for other plant researches with similar components. Furthermore, the systematic research on compound identification and marker discrimination of the complex components in crude and processed BSS could work as an example for other similar studies, such as composition changes in one plant during different growth periods, botanical characters of different medicinal parts in same kind of medicinal herbs and quality identification of one species of medicinal herb from different regions.
Xu, Y., Cai, H., Cao, G., Duan, Y., Pei, K., Zhou, J., Xie, L., Zhao, J., Liu, J., Wang, X., Shen, L.
Royal Society
2054-5703
20545703
shingle_catch_all_3 Discrimination of volatiles in herbal formula Baizhu Shaoyao San before and after processing using needle trap device with multivariate data analysis
plant science, analytical chemistry
To characterize the chemical differences of volatile components between crude and processed Baizhu Shaoyao San (BSS), a classical Chinese herbal formula that is widely applied in the treatment of gastrointestinal diseases, we developed a gas chromatography–mass spectrometry-based needle trap device combined with multivariate data analysis to globally profile volatile components and rapidly identify differentiating chemical markers. Using a triple-bed needle packed with Carbopack X, DVB and Carboxen 1000 sorbents, we identified 121 and 123 compounds, respectively, in crude and processed BSS. According to the results of principal component analysis and orthogonal partial least-squares discriminant analysis, crude and processed BSS were successfully distinguished into two groups with good fitting and predicting parameters. Furthermore, 21 compounds were identified and adopted as potential markers that could be employed to quickly differentiate these two types of samples using S-PLOT and variable importance in projection analyses. The established method can be applied to explain the chemical transformation of Chinese medicine processing in BSS and further control the quality and understand the processing mechanism of Chinese herbal formulae. Besides, the triple-bed needle selected and optimized in this study can provide a valuable reference for other plant researches with similar components. Furthermore, the systematic research on compound identification and marker discrimination of the complex components in crude and processed BSS could work as an example for other similar studies, such as composition changes in one plant during different growth periods, botanical characters of different medicinal parts in same kind of medicinal herbs and quality identification of one species of medicinal herb from different regions.
Xu, Y., Cai, H., Cao, G., Duan, Y., Pei, K., Zhou, J., Xie, L., Zhao, J., Liu, J., Wang, X., Shen, L.
Royal Society
2054-5703
20545703
shingle_catch_all_4 Discrimination of volatiles in herbal formula Baizhu Shaoyao San before and after processing using needle trap device with multivariate data analysis
plant science, analytical chemistry
To characterize the chemical differences of volatile components between crude and processed Baizhu Shaoyao San (BSS), a classical Chinese herbal formula that is widely applied in the treatment of gastrointestinal diseases, we developed a gas chromatography–mass spectrometry-based needle trap device combined with multivariate data analysis to globally profile volatile components and rapidly identify differentiating chemical markers. Using a triple-bed needle packed with Carbopack X, DVB and Carboxen 1000 sorbents, we identified 121 and 123 compounds, respectively, in crude and processed BSS. According to the results of principal component analysis and orthogonal partial least-squares discriminant analysis, crude and processed BSS were successfully distinguished into two groups with good fitting and predicting parameters. Furthermore, 21 compounds were identified and adopted as potential markers that could be employed to quickly differentiate these two types of samples using S-PLOT and variable importance in projection analyses. The established method can be applied to explain the chemical transformation of Chinese medicine processing in BSS and further control the quality and understand the processing mechanism of Chinese herbal formulae. Besides, the triple-bed needle selected and optimized in this study can provide a valuable reference for other plant researches with similar components. Furthermore, the systematic research on compound identification and marker discrimination of the complex components in crude and processed BSS could work as an example for other similar studies, such as composition changes in one plant during different growth periods, botanical characters of different medicinal parts in same kind of medicinal herbs and quality identification of one species of medicinal herb from different regions.
Xu, Y., Cai, H., Cao, G., Duan, Y., Pei, K., Zhou, J., Xie, L., Zhao, J., Liu, J., Wang, X., Shen, L.
Royal Society
2054-5703
20545703
shingle_title_1 Discrimination of volatiles in herbal formula Baizhu Shaoyao San before and after processing using needle trap device with multivariate data analysis
shingle_title_2 Discrimination of volatiles in herbal formula Baizhu Shaoyao San before and after processing using needle trap device with multivariate data analysis
shingle_title_3 Discrimination of volatiles in herbal formula Baizhu Shaoyao San before and after processing using needle trap device with multivariate data analysis
shingle_title_4 Discrimination of volatiles in herbal formula Baizhu Shaoyao San before and after processing using needle trap device with multivariate data analysis
timestamp 2025-06-30T23:35:42.326Z
titel Discrimination of volatiles in herbal formula Baizhu Shaoyao San before and after processing using needle trap device with multivariate data analysis
titel_suche Discrimination of volatiles in herbal formula Baizhu Shaoyao San before and after processing using needle trap device with multivariate data analysis
topic TA-TD
uid ipn_articles_6289298