{"title":"UHPLC-HRMS及化学计量学综合分析不同产地延胡索","authors":"Jinfeng Zhu, Wenyi Yu, Qing Xu, Hongjiang Liu, Sha Zhang, Yanfang Liu, Aijin Shen, Xinmiao Liang","doi":"10.1002/jssc.70247","DOIUrl":null,"url":null,"abstract":"<div>\n \n <p>The therapeutic efficacy of traditional Chinese medicines (TCMs) is intrinsically linked to their quality. Differentiating Dao-di medicinal materials from non-Dao-di ones is essential for ensuring the authenticity, superior quality, and therapeutic efficacy of TCMs. <i>Corydalis decumbens</i> (Thunb.) Pers. (<i>C. decumbens</i>) is a renowned traditional Chinese medicinal herb widely employed in clinical practice for treating various diseases, including blood stasis, stroke, hemiplegia, rheumatoid arthritis, and headache. To date, few studies have addressed the geographical origin differentiation of <i>C. decumbens</i>, and the specific chemical constituents responsible for regional variations remain unclear. In this study, a UHPLC-HRMS (ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry) method, in combination with chemometric tools, was developed for the comprehensive profiling of <i>C. decumbens</i> collected from various geographical regions. First, an in-depth characterization of <i>C. decumbens</i> was performed using the established UHPLC-HRMS method. By integrating database matching, fragmentation pathway elucidation, and comparison with authentic standards, a total of 151 compounds were identified, including 131 isoquinoline alkaloids. More specifically, 86 of these compounds were reported in <i>C. decumbens</i> for the first time, including eight isoquinoline alkaloids bearing previously unreported substituent combinations. Based on the identified compounds, principal component analysis (PCA) and orthogonal partial least-squares discriminant analysis (OPLS-DA) were performed to distinguish 33 batches of <i>C. decumbens</i> derived from six geographical origins. The analysis revealed that alkaloids were the primary discriminative constituents contributing to origin differentiation. This work has expanded the chemical foundation of <i>C. decumbens</i> and offers valuable insights into quality control and geographical origin discrimination research.</p>\n </div>","PeriodicalId":17098,"journal":{"name":"Journal of separation science","volume":"48 8","pages":""},"PeriodicalIF":2.8000,"publicationDate":"2025-08-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Comprehensive Analysis of Corydalis decumbens From Different Regions Using UHPLC-HRMS and Chemometrics\",\"authors\":\"Jinfeng Zhu, Wenyi Yu, Qing Xu, Hongjiang Liu, Sha Zhang, Yanfang Liu, Aijin Shen, Xinmiao Liang\",\"doi\":\"10.1002/jssc.70247\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div>\\n \\n <p>The therapeutic efficacy of traditional Chinese medicines (TCMs) is intrinsically linked to their quality. Differentiating Dao-di medicinal materials from non-Dao-di ones is essential for ensuring the authenticity, superior quality, and therapeutic efficacy of TCMs. <i>Corydalis decumbens</i> (Thunb.) Pers. (<i>C. decumbens</i>) is a renowned traditional Chinese medicinal herb widely employed in clinical practice for treating various diseases, including blood stasis, stroke, hemiplegia, rheumatoid arthritis, and headache. To date, few studies have addressed the geographical origin differentiation of <i>C. decumbens</i>, and the specific chemical constituents responsible for regional variations remain unclear. In this study, a UHPLC-HRMS (ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry) method, in combination with chemometric tools, was developed for the comprehensive profiling of <i>C. decumbens</i> collected from various geographical regions. First, an in-depth characterization of <i>C. decumbens</i> was performed using the established UHPLC-HRMS method. By integrating database matching, fragmentation pathway elucidation, and comparison with authentic standards, a total of 151 compounds were identified, including 131 isoquinoline alkaloids. More specifically, 86 of these compounds were reported in <i>C. decumbens</i> for the first time, including eight isoquinoline alkaloids bearing previously unreported substituent combinations. Based on the identified compounds, principal component analysis (PCA) and orthogonal partial least-squares discriminant analysis (OPLS-DA) were performed to distinguish 33 batches of <i>C. decumbens</i> derived from six geographical origins. The analysis revealed that alkaloids were the primary discriminative constituents contributing to origin differentiation. This work has expanded the chemical foundation of <i>C. decumbens</i> and offers valuable insights into quality control and geographical origin discrimination research.</p>\\n </div>\",\"PeriodicalId\":17098,\"journal\":{\"name\":\"Journal of separation science\",\"volume\":\"48 8\",\"pages\":\"\"},\"PeriodicalIF\":2.8000,\"publicationDate\":\"2025-08-22\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of separation science\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/jssc.70247\",\"RegionNum\":3,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of separation science","FirstCategoryId":"5","ListUrlMain":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/10.1002/jssc.70247","RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Comprehensive Analysis of Corydalis decumbens From Different Regions Using UHPLC-HRMS and Chemometrics
The therapeutic efficacy of traditional Chinese medicines (TCMs) is intrinsically linked to their quality. Differentiating Dao-di medicinal materials from non-Dao-di ones is essential for ensuring the authenticity, superior quality, and therapeutic efficacy of TCMs. Corydalis decumbens (Thunb.) Pers. (C. decumbens) is a renowned traditional Chinese medicinal herb widely employed in clinical practice for treating various diseases, including blood stasis, stroke, hemiplegia, rheumatoid arthritis, and headache. To date, few studies have addressed the geographical origin differentiation of C. decumbens, and the specific chemical constituents responsible for regional variations remain unclear. In this study, a UHPLC-HRMS (ultra-high-performance liquid chromatography coupled with high-resolution mass spectrometry) method, in combination with chemometric tools, was developed for the comprehensive profiling of C. decumbens collected from various geographical regions. First, an in-depth characterization of C. decumbens was performed using the established UHPLC-HRMS method. By integrating database matching, fragmentation pathway elucidation, and comparison with authentic standards, a total of 151 compounds were identified, including 131 isoquinoline alkaloids. More specifically, 86 of these compounds were reported in C. decumbens for the first time, including eight isoquinoline alkaloids bearing previously unreported substituent combinations. Based on the identified compounds, principal component analysis (PCA) and orthogonal partial least-squares discriminant analysis (OPLS-DA) were performed to distinguish 33 batches of C. decumbens derived from six geographical origins. The analysis revealed that alkaloids were the primary discriminative constituents contributing to origin differentiation. This work has expanded the chemical foundation of C. decumbens and offers valuable insights into quality control and geographical origin discrimination research.
期刊介绍:
The Journal of Separation Science (JSS) is the most comprehensive source in separation science, since it covers all areas of chromatographic and electrophoretic separation methods in theory and practice, both in the analytical and in the preparative mode, solid phase extraction, sample preparation, and related techniques. Manuscripts on methodological or instrumental developments, including detection aspects, in particular mass spectrometry, as well as on innovative applications will also be published. Manuscripts on hyphenation, automation, and miniaturization are particularly welcome. Pre- and post-separation facets of a total analysis may be covered as well as the underlying logic of the development or application of a method.