{"title":"Digital identification and adulteration analysis of Codonopsis Radix and Stellariae Radix based on the \"digital identity\" of chemical compositions.","authors":"Xianrui Wang, Jiating Zhang, Wenguang Jing, Xiaohan Guo, Minghua Li, Xianlong Cheng, Feng Wei","doi":"10.3389/fchem.2024.1438321","DOIUrl":null,"url":null,"abstract":"<p><strong>Introduction: </strong>Under the background of digitalization of traditional Chinese medicine (TCM), this study aimed to realize the digital identification and adulteration analysis of Codonopsis Radix (CR) and Stellariae Radix (SR) based on chemical analysis.</p><p><strong>Methods: </strong>This study combined digitalization concepts and chemical analysis and conducted a chemical analysis of CR and SR from different batches based on UHPLC-QTOF-MS<sup>E</sup>. Furthermore, the shared ions were extracted from different batches of CR and SR as their \"ion characterization\" after digital quantization. Then, the data matrices of unique ions of CR relative to SR and SR relative to CR were screened out, and the top-N ions were outputted as the \"digital identities\" of CR and SR, sorted by ionic strength. Finally, the above \"digital identities\" of CR and SR were used as benchmarks for matching positive samples and market samples to provide feedback on the matching credibility (MC) for identification and adulteration analysis.</p><p><strong>Results: </strong>The results showed that based on the \"digital identities\" of CR and SR, the digital identification of CR, SR, and positive samples can be realized at the individual level of TCM efficiently and accurately, even if 3% of SR in the mixed samples can still be identified efficiently and accurately. Moreover, 1 of the 12 batches of market samples was identified as an adulterated sample.</p><p><strong>Conclusion: </strong>It proved that the identification and adulteration analysis of two herbs can be realized efficiently and quickly through the \"digital identities\" of chemical compositions. It has important reference significance for developing the digital identification of CR and SR at the individual level of Chinese medicine based on the \"digital identity\" of chemical compositions, which was beneficial to the construction of digital quality control of CR and SR.</p>","PeriodicalId":12421,"journal":{"name":"Frontiers in Chemistry","volume":"12 ","pages":"1438321"},"PeriodicalIF":3.8000,"publicationDate":"2024-11-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11579866/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Frontiers in Chemistry","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.3389/fchem.2024.1438321","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/1/1 0:00:00","PubModel":"eCollection","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
Abstract
Introduction: Under the background of digitalization of traditional Chinese medicine (TCM), this study aimed to realize the digital identification and adulteration analysis of Codonopsis Radix (CR) and Stellariae Radix (SR) based on chemical analysis.
Methods: This study combined digitalization concepts and chemical analysis and conducted a chemical analysis of CR and SR from different batches based on UHPLC-QTOF-MSE. Furthermore, the shared ions were extracted from different batches of CR and SR as their "ion characterization" after digital quantization. Then, the data matrices of unique ions of CR relative to SR and SR relative to CR were screened out, and the top-N ions were outputted as the "digital identities" of CR and SR, sorted by ionic strength. Finally, the above "digital identities" of CR and SR were used as benchmarks for matching positive samples and market samples to provide feedback on the matching credibility (MC) for identification and adulteration analysis.
Results: The results showed that based on the "digital identities" of CR and SR, the digital identification of CR, SR, and positive samples can be realized at the individual level of TCM efficiently and accurately, even if 3% of SR in the mixed samples can still be identified efficiently and accurately. Moreover, 1 of the 12 batches of market samples was identified as an adulterated sample.
Conclusion: It proved that the identification and adulteration analysis of two herbs can be realized efficiently and quickly through the "digital identities" of chemical compositions. It has important reference significance for developing the digital identification of CR and SR at the individual level of Chinese medicine based on the "digital identity" of chemical compositions, which was beneficial to the construction of digital quality control of CR and SR.
期刊介绍：
Frontiers in Chemistry is a high visiblity and quality journal, publishing rigorously peer-reviewed research across the chemical sciences. Field Chief Editor Steve Suib at the University of Connecticut is supported by an outstanding Editorial Board of international researchers. This multidisciplinary open-access journal is at the forefront of disseminating and communicating scientific knowledge and impactful discoveries to academics, industry leaders and the public worldwide.
Chemistry is a branch of science that is linked to all other main fields of research. The omnipresence of Chemistry is apparent in our everyday lives from the electronic devices that we all use to communicate, to foods we eat, to our health and well-being, to the different forms of energy that we use. While there are many subtopics and specialties of Chemistry, the fundamental link in all these areas is how atoms, ions, and molecules come together and come apart in what some have come to call the “dance of life”.
All specialty sections of Frontiers in Chemistry are open-access with the goal of publishing outstanding research publications, review articles, commentaries, and ideas about various aspects of Chemistry. The past forms of publication often have specific subdisciplines, most commonly of analytical, inorganic, organic and physical chemistries, but these days those lines and boxes are quite blurry and the silos of those disciplines appear to be eroding. Chemistry is important to both fundamental and applied areas of research and manufacturing, and indeed the outlines of academic versus industrial research are also often artificial. Collaborative research across all specialty areas of Chemistry is highly encouraged and supported as we move forward. These are exciting times and the field of Chemistry is an important and significant contributor to our collective knowledge.
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