Quantitative Analysis of Catalpol in Chinese Patent Medicine Lixin Pill by Near-infrared Diffuse Reflectance Spectroscopy
Lixin pill is a typical Chinese patent medicine with anti-rheumatic heart disease activity that has been widely used in clinical practice. Therefore it is very important to detect the concentration of catalpol, as the main component of the active ingredient. Near-infrared reflectance(NIR) spectrosco...
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Veröffentlicht in: | Chemical research in Chinese universities 2013-12, Vol.29 (6), p.1059-1062 |
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description | Lixin pill is a typical Chinese patent medicine with anti-rheumatic heart disease activity that has been widely used in clinical practice. Therefore it is very important to detect the concentration of catalpol, as the main component of the active ingredient. Near-infrared reflectance(NIR) spectroscopy was used to study the content of catalpol in the unprocessed Chinese patent medicine of Lixin pills. NIR is applied to quantitatively analyze 77 sam- ples, which were randomly divided into a calibration set containing 61 samples and a prediction set containing 16 samples. To get a satisfying result, partial least squares(PLS) regression was utilized to establish quantitative models. In PLS regression, the values of coefficient of determination(R2) and root mean square error of cross-validation (RMSECV) of PLS regression are 0.9419 and 0.0216, respectively. The process of establishing model, parameters of model, and prediction results were also discussed in detail(root mean square error of prediction is 0.0164). The over- all results show that NIR spectroscopy can be efficiently utilized for the rapid and accurate analysis of routine chemical compositions in the Chinese patent medicine of Lixin pills. The prediction set suggests that this quantitative analysis model has excellent generalization ability and prediction precision. Accordingly, the result can provide tech- nical support for the further analysis of catalpol in unprocessed Lixin pill. Moreover, this study supplied technical support for the further analysis of other Chinese patent medicine samples. |
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Therefore it is very important to detect the concentration of catalpol, as the main component of the active ingredient. Near-infrared reflectance(NIR) spectroscopy was used to study the content of catalpol in the unprocessed Chinese patent medicine of Lixin pills. NIR is applied to quantitatively analyze 77 sam- ples, which were randomly divided into a calibration set containing 61 samples and a prediction set containing 16 samples. To get a satisfying result, partial least squares(PLS) regression was utilized to establish quantitative models. In PLS regression, the values of coefficient of determination(R2) and root mean square error of cross-validation (RMSECV) of PLS regression are 0.9419 and 0.0216, respectively. The process of establishing model, parameters of model, and prediction results were also discussed in detail(root mean square error of prediction is 0.0164). The over- all results show that NIR spectroscopy can be efficiently utilized for the rapid and accurate analysis of routine chemical compositions in the Chinese patent medicine of Lixin pills. The prediction set suggests that this quantitative analysis model has excellent generalization ability and prediction precision. Accordingly, the result can provide tech- nical support for the further analysis of catalpol in unprocessed Lixin pill. Moreover, this study supplied technical support for the further analysis of other Chinese patent medicine samples.</description><identifier>ISSN: 1005-9040</identifier><identifier>EISSN: 2210-3171</identifier><identifier>DOI: 10.1007/s40242-013-3231-3</identifier><language>eng</language><publisher>Berlin/Heidelberg: Springer Berlin Heidelberg</publisher><subject>Analytical Chemistry ; Chemistry ; Chemistry and Materials Science ; Chemistry/Food Science ; Inorganic Chemistry ; Organic Chemistry ; Physical Chemistry ; PLS回归 ; 中国专利 ; 光谱定量分析 ; 定量模型 ; 常规化学成分 ; 梓醇 ; 近红外漫反射 ; 预测精度</subject><ispartof>Chemical research in Chinese universities, 2013-12, Vol.29 (6), p.1059-1062</ispartof><rights>Jilin University, The Editorial Department of Chemical Research in Chinese Universities and Springer-Verlag GmbH 2013</rights><rights>Copyright © Wanfang Data Co. Ltd. All Rights Reserved.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c348t-c7d78c2f66536497a638249e778c2013c6947dda668cf881f0ab916378440cfe3</citedby><cites>FETCH-LOGICAL-c348t-c7d78c2f66536497a638249e778c2013c6947dda668cf881f0ab916378440cfe3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Uhttp://image.cqvip.com/vip1000/qk/86071X/86071X.jpg</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s40242-013-3231-3$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s40242-013-3231-3$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,778,782,27907,27908,41471,42540,51302</link.rule.ids></links><search><creatorcontrib>Zhang, Wei</creatorcontrib><creatorcontrib>Bai, Xue-yuan</creatorcontrib><creatorcontrib>Wang, Ying-ping</creatorcontrib><creatorcontrib>Qu, Zheng-yi</creatorcontrib><creatorcontrib>Sun, Li-xia</creatorcontrib><creatorcontrib>Yao, Chun-lin</creatorcontrib><creatorcontrib>Zhao, Bing</creatorcontrib><title>Quantitative Analysis of Catalpol in Chinese Patent Medicine Lixin Pill by Near-infrared Diffuse Reflectance Spectroscopy</title><title>Chemical research in Chinese universities</title><addtitle>Chem. Res. Chin. Univ</addtitle><addtitle>Chemical Research in Chinese University</addtitle><description>Lixin pill is a typical Chinese patent medicine with anti-rheumatic heart disease activity that has been widely used in clinical practice. Therefore it is very important to detect the concentration of catalpol, as the main component of the active ingredient. Near-infrared reflectance(NIR) spectroscopy was used to study the content of catalpol in the unprocessed Chinese patent medicine of Lixin pills. NIR is applied to quantitatively analyze 77 sam- ples, which were randomly divided into a calibration set containing 61 samples and a prediction set containing 16 samples. To get a satisfying result, partial least squares(PLS) regression was utilized to establish quantitative models. In PLS regression, the values of coefficient of determination(R2) and root mean square error of cross-validation (RMSECV) of PLS regression are 0.9419 and 0.0216, respectively. The process of establishing model, parameters of model, and prediction results were also discussed in detail(root mean square error of prediction is 0.0164). The over- all results show that NIR spectroscopy can be efficiently utilized for the rapid and accurate analysis of routine chemical compositions in the Chinese patent medicine of Lixin pills. The prediction set suggests that this quantitative analysis model has excellent generalization ability and prediction precision. Accordingly, the result can provide tech- nical support for the further analysis of catalpol in unprocessed Lixin pill. Moreover, this study supplied technical support for the further analysis of other Chinese patent medicine samples.</description><subject>Analytical Chemistry</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Chemistry/Food Science</subject><subject>Inorganic Chemistry</subject><subject>Organic Chemistry</subject><subject>Physical Chemistry</subject><subject>PLS回归</subject><subject>中国专利</subject><subject>光谱定量分析</subject><subject>定量模型</subject><subject>常规化学成分</subject><subject>梓醇</subject><subject>近红外漫反射</subject><subject>预测精度</subject><issn>1005-9040</issn><issn>2210-3171</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2013</creationdate><recordtype>article</recordtype><recordid>eNp9kEtPAyEUhYnRxPr4Ae5w6QK9DJRhlqY-k_rWNUEGWpqRqTDVzr-Xpo3uXN2by_nu4R6EjiicUoDyLHEoeEGAMsIKRgnbQoOioEAYLek2GmTRkFTAYRftpTQDYJUQfID6p4UOne90578sPg-66ZNPuHV4pDvdzNsG-4BHUx9ssvhRdzZ0-M7W3uQJHvtlfn30TYPfe3xvdSQ-uKijrfGFd26RmWfrGms6HYzFL_PcxTaZdt4foB2nm2QPN3UfvV1dvo5uyPjh-nZ0PiaGcdkRU9alNIUTYsgEr0otmCx4ZcvVNJ9rRMXLutZCSOOkpA70e0UFKyXnYJxl--hkvfdbB6fDRM3aRcx3JjWpl8vpsp-t1oAAkFlL11qTP5midWoe_YeOvaKgVjmrdc4qE2qVs2KZKdZMytowsfHP4D_oeGM0bcPkM3O_TlwCH4oK2A-5lov6</recordid><startdate>20131201</startdate><enddate>20131201</enddate><creator>Zhang, Wei</creator><creator>Bai, Xue-yuan</creator><creator>Wang, Ying-ping</creator><creator>Qu, Zheng-yi</creator><creator>Sun, Li-xia</creator><creator>Yao, Chun-lin</creator><creator>Zhao, Bing</creator><general>Springer Berlin Heidelberg</general><general>Institute of Special Animal and Plant Sciences, Chinese Academy of Agricultural Sciences,Changchun 130112, P.R.China%Center for New Drugs Research, Changchun University of Chinese Medicine, Changchun 130117, P.R.China%State Key Laboratory of Supramolecular Structure and Materials, College of Chemistry,Jilin University, Changchun 130012, P.R.China</general><scope>2RA</scope><scope>92L</scope><scope>CQIGP</scope><scope>~WA</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>2B.</scope><scope>4A8</scope><scope>92I</scope><scope>93N</scope><scope>PSX</scope><scope>TCJ</scope></search><sort><creationdate>20131201</creationdate><title>Quantitative Analysis of Catalpol in Chinese Patent Medicine Lixin Pill by Near-infrared Diffuse Reflectance Spectroscopy</title><author>Zhang, Wei ; Bai, Xue-yuan ; Wang, Ying-ping ; Qu, Zheng-yi ; Sun, Li-xia ; Yao, Chun-lin ; Zhao, Bing</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c348t-c7d78c2f66536497a638249e778c2013c6947dda668cf881f0ab916378440cfe3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2013</creationdate><topic>Analytical Chemistry</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Chemistry/Food Science</topic><topic>Inorganic Chemistry</topic><topic>Organic Chemistry</topic><topic>Physical Chemistry</topic><topic>PLS回归</topic><topic>中国专利</topic><topic>光谱定量分析</topic><topic>定量模型</topic><topic>常规化学成分</topic><topic>梓醇</topic><topic>近红外漫反射</topic><topic>预测精度</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Zhang, Wei</creatorcontrib><creatorcontrib>Bai, Xue-yuan</creatorcontrib><creatorcontrib>Wang, Ying-ping</creatorcontrib><creatorcontrib>Qu, Zheng-yi</creatorcontrib><creatorcontrib>Sun, Li-xia</creatorcontrib><creatorcontrib>Yao, Chun-lin</creatorcontrib><creatorcontrib>Zhao, Bing</creatorcontrib><collection>中文科技期刊数据库</collection><collection>中文科技期刊数据库-CALIS站点</collection><collection>中文科技期刊数据库-7.0平台</collection><collection>中文科技期刊数据库- 镜像站点</collection><collection>CrossRef</collection><collection>Wanfang Data Journals - Hong Kong</collection><collection>WANFANG Data Centre</collection><collection>Wanfang Data Journals</collection><collection>万方数据期刊 - 香港版</collection><collection>China Online Journals (COJ)</collection><collection>China Online Journals (COJ)</collection><jtitle>Chemical research in Chinese universities</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Zhang, Wei</au><au>Bai, Xue-yuan</au><au>Wang, Ying-ping</au><au>Qu, Zheng-yi</au><au>Sun, Li-xia</au><au>Yao, Chun-lin</au><au>Zhao, Bing</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Quantitative Analysis of Catalpol in Chinese Patent Medicine Lixin Pill by Near-infrared Diffuse Reflectance Spectroscopy</atitle><jtitle>Chemical research in Chinese universities</jtitle><stitle>Chem. Res. Chin. Univ</stitle><addtitle>Chemical Research in Chinese University</addtitle><date>2013-12-01</date><risdate>2013</risdate><volume>29</volume><issue>6</issue><spage>1059</spage><epage>1062</epage><pages>1059-1062</pages><issn>1005-9040</issn><eissn>2210-3171</eissn><abstract>Lixin pill is a typical Chinese patent medicine with anti-rheumatic heart disease activity that has been widely used in clinical practice. Therefore it is very important to detect the concentration of catalpol, as the main component of the active ingredient. Near-infrared reflectance(NIR) spectroscopy was used to study the content of catalpol in the unprocessed Chinese patent medicine of Lixin pills. NIR is applied to quantitatively analyze 77 sam- ples, which were randomly divided into a calibration set containing 61 samples and a prediction set containing 16 samples. To get a satisfying result, partial least squares(PLS) regression was utilized to establish quantitative models. In PLS regression, the values of coefficient of determination(R2) and root mean square error of cross-validation (RMSECV) of PLS regression are 0.9419 and 0.0216, respectively. The process of establishing model, parameters of model, and prediction results were also discussed in detail(root mean square error of prediction is 0.0164). The over- all results show that NIR spectroscopy can be efficiently utilized for the rapid and accurate analysis of routine chemical compositions in the Chinese patent medicine of Lixin pills. The prediction set suggests that this quantitative analysis model has excellent generalization ability and prediction precision. Accordingly, the result can provide tech- nical support for the further analysis of catalpol in unprocessed Lixin pill. Moreover, this study supplied technical support for the further analysis of other Chinese patent medicine samples.</abstract><cop>Berlin/Heidelberg</cop><pub>Springer Berlin Heidelberg</pub><doi>10.1007/s40242-013-3231-3</doi><tpages>4</tpages></addata></record> |
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subjects | Analytical Chemistry Chemistry Chemistry and Materials Science Chemistry/Food Science Inorganic Chemistry Organic Chemistry Physical Chemistry PLS回归 中国专利 光谱定量分析 定量模型 常规化学成分 梓醇 近红外漫反射 预测精度 |
title | Quantitative Analysis of Catalpol in Chinese Patent Medicine Lixin Pill by Near-infrared Diffuse Reflectance Spectroscopy |
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