{"title":"基于GC-IMS结合机器学习的西洋参不同蒸煮程度的鉴定","authors":"Yuzhang Mi, Hongjing Dong, Xiao Wang, Shuang Liu, Min Jiang, Qi Liang, Jian Chen","doi":"10.1002/rcm.9991","DOIUrl":null,"url":null,"abstract":"<div>\n \n \n <section>\n \n <h3> Rationale</h3>\n \n <p><i>Panax quinquefolius</i> L. (PQ), a commonly used traditional Chinese medicine and a food, is usually processed into various products, including white PQ, red PQ (two- or three-time steamed PQ), and black PQ (nine-time steamed PQ). Previous studies demonstrated that volatile components (VOCs) were the important active substances of PQ, which had antibacterial, antiviral, and anti-leukemia activities. However, most research had focused on ginsenosides, and few studies on the volatile components (VOCs) of PQ.</p>\n </section>\n \n <section>\n \n <h3> Methods</h3>\n \n <p>This study used gas chromatography-ion mobility spectrometry to analyze the variation of VOCs in PQ during steaming process. Further, machine learning algorithms were used to quickly identify the steaming degrees of PQ samples.</p>\n </section>\n \n <section>\n \n <h3> Results</h3>\n \n <p>A total of 58 VOCs were identified, and 20 featured components with significant changes in the content were screened, including 2-methylundecanal, n-propanol, and n-octanol. Based on these 20 featured components, six machine learning algorithms were used to predict PQ samples with different steaming degrees. Among them, naive Bayes (NB) and linear discriminant analysis (LDA) exhibited good predictive performance, demonstrating significant potential application. This study provided a reference for understanding the variation of VOCs in PQ during steaming and offered a simple, rapid, and low-cost method for distinguishing the steaming degrees of PQ samples.</p>\n </section>\n </div>","PeriodicalId":225,"journal":{"name":"Rapid Communications in Mass Spectrometry","volume":"39 8","pages":""},"PeriodicalIF":1.8000,"publicationDate":"2025-01-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Identification of Different Steaming Degrees of Panax quinquefolius L. Based on GC-IMS Combined With Machine Learning\",\"authors\":\"Yuzhang Mi, Hongjing Dong, Xiao Wang, Shuang Liu, Min Jiang, Qi Liang, Jian Chen\",\"doi\":\"10.1002/rcm.9991\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div>\\n \\n \\n <section>\\n \\n <h3> Rationale</h3>\\n \\n <p><i>Panax quinquefolius</i> L. (PQ), a commonly used traditional Chinese medicine and a food, is usually processed into various products, including white PQ, red PQ (two- or three-time steamed PQ), and black PQ (nine-time steamed PQ). Previous studies demonstrated that volatile components (VOCs) were the important active substances of PQ, which had antibacterial, antiviral, and anti-leukemia activities. However, most research had focused on ginsenosides, and few studies on the volatile components (VOCs) of PQ.</p>\\n </section>\\n \\n <section>\\n \\n <h3> Methods</h3>\\n \\n <p>This study used gas chromatography-ion mobility spectrometry to analyze the variation of VOCs in PQ during steaming process. Further, machine learning algorithms were used to quickly identify the steaming degrees of PQ samples.</p>\\n </section>\\n \\n <section>\\n \\n <h3> Results</h3>\\n \\n <p>A total of 58 VOCs were identified, and 20 featured components with significant changes in the content were screened, including 2-methylundecanal, n-propanol, and n-octanol. Based on these 20 featured components, six machine learning algorithms were used to predict PQ samples with different steaming degrees. Among them, naive Bayes (NB) and linear discriminant analysis (LDA) exhibited good predictive performance, demonstrating significant potential application. This study provided a reference for understanding the variation of VOCs in PQ during steaming and offered a simple, rapid, and low-cost method for distinguishing the steaming degrees of PQ samples.</p>\\n </section>\\n </div>\",\"PeriodicalId\":225,\"journal\":{\"name\":\"Rapid Communications in Mass Spectrometry\",\"volume\":\"39 8\",\"pages\":\"\"},\"PeriodicalIF\":1.8000,\"publicationDate\":\"2025-01-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Rapid Communications in Mass Spectrometry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://onlinelibrary.wiley.com/doi/10.1002/rcm.9991\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"BIOCHEMICAL RESEARCH METHODS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Rapid Communications in Mass Spectrometry","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/rcm.9991","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"BIOCHEMICAL RESEARCH METHODS","Score":null,"Total":0}
Identification of Different Steaming Degrees of Panax quinquefolius L. Based on GC-IMS Combined With Machine Learning
Rationale
Panax quinquefolius L. (PQ), a commonly used traditional Chinese medicine and a food, is usually processed into various products, including white PQ, red PQ (two- or three-time steamed PQ), and black PQ (nine-time steamed PQ). Previous studies demonstrated that volatile components (VOCs) were the important active substances of PQ, which had antibacterial, antiviral, and anti-leukemia activities. However, most research had focused on ginsenosides, and few studies on the volatile components (VOCs) of PQ.
Methods
This study used gas chromatography-ion mobility spectrometry to analyze the variation of VOCs in PQ during steaming process. Further, machine learning algorithms were used to quickly identify the steaming degrees of PQ samples.
Results
A total of 58 VOCs were identified, and 20 featured components with significant changes in the content were screened, including 2-methylundecanal, n-propanol, and n-octanol. Based on these 20 featured components, six machine learning algorithms were used to predict PQ samples with different steaming degrees. Among them, naive Bayes (NB) and linear discriminant analysis (LDA) exhibited good predictive performance, demonstrating significant potential application. This study provided a reference for understanding the variation of VOCs in PQ during steaming and offered a simple, rapid, and low-cost method for distinguishing the steaming degrees of PQ samples.
期刊介绍:
Rapid Communications in Mass Spectrometry is a journal whose aim is the rapid publication of original research results and ideas on all aspects of the science of gas-phase ions; it covers all the associated scientific disciplines. There is no formal limit on paper length ("rapid" is not synonymous with "brief"), but papers should be of a length that is commensurate with the importance and complexity of the results being reported. Contributions may be theoretical or practical in nature; they may deal with methods, techniques and applications, or with the interpretation of results; they may cover any area in science that depends directly on measurements made upon gaseous ions or that is associated with such measurements.