Dan Wang , Yan Chen , Xinyu Ma , Xiaobing Zhang , Ji Zhang , Siqian Guo , Jingming Li , Liping Xiang
{"title":"多元风味分析技术融合策略在陈年酱味白酒鉴别中的应用","authors":"Dan Wang , Yan Chen , Xinyu Ma , Xiaobing Zhang , Ji Zhang , Siqian Guo , Jingming Li , Liping Xiang","doi":"10.1016/j.fochx.2025.102986","DOIUrl":null,"url":null,"abstract":"<div><div>In the present work, effective methods for determining the age of sauce-flavor Baijiu by multivariate data analysis and machine learning techniques were explored. Considering the complex and dynamic flavor changes during Baijiu storage, four analytical techniques, including gas chromatography–mass spectrometry (GC–MS), gas chromatography-ion mobility spectrometry (GC-IMS), electronic nose (E-nose) and electronic tongue (E-tongue) were integrated, to build a multilayered flavor profile of Baijiu. Four types of classification models were further constructed. The fusion data strategy combined with oversampling method of synthetic minority over-sampling technique (SMOTE) and neural network, significantly enhance the accuracy (0.96) and precision (0.97) of aged Baijiu determination (ranged from 1 year to 30 years). A total of 28 important features were screened out, including furfural, 2-hexanol (GC–MS), Area 65 (GC-IMS), and bitterness (E-tongue). Furthermore, potential correlations among different data sources were discussed. The astringency (E-tongue) showed a positive correlation with ethyl lactate (GC–MS) and Area 40 (GC-IMS).</div></div>","PeriodicalId":12334,"journal":{"name":"Food Chemistry: X","volume":"31 ","pages":"Article 102986"},"PeriodicalIF":8.2000,"publicationDate":"2025-09-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A fusion strategy of multivariate flavor analysis techniques for the discrimination of aged sauce-flavor Baijiu\",\"authors\":\"Dan Wang , Yan Chen , Xinyu Ma , Xiaobing Zhang , Ji Zhang , Siqian Guo , Jingming Li , Liping Xiang\",\"doi\":\"10.1016/j.fochx.2025.102986\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>In the present work, effective methods for determining the age of sauce-flavor Baijiu by multivariate data analysis and machine learning techniques were explored. Considering the complex and dynamic flavor changes during Baijiu storage, four analytical techniques, including gas chromatography–mass spectrometry (GC–MS), gas chromatography-ion mobility spectrometry (GC-IMS), electronic nose (E-nose) and electronic tongue (E-tongue) were integrated, to build a multilayered flavor profile of Baijiu. Four types of classification models were further constructed. The fusion data strategy combined with oversampling method of synthetic minority over-sampling technique (SMOTE) and neural network, significantly enhance the accuracy (0.96) and precision (0.97) of aged Baijiu determination (ranged from 1 year to 30 years). A total of 28 important features were screened out, including furfural, 2-hexanol (GC–MS), Area 65 (GC-IMS), and bitterness (E-tongue). Furthermore, potential correlations among different data sources were discussed. The astringency (E-tongue) showed a positive correlation with ethyl lactate (GC–MS) and Area 40 (GC-IMS).</div></div>\",\"PeriodicalId\":12334,\"journal\":{\"name\":\"Food Chemistry: X\",\"volume\":\"31 \",\"pages\":\"Article 102986\"},\"PeriodicalIF\":8.2000,\"publicationDate\":\"2025-09-09\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Food Chemistry: X\",\"FirstCategoryId\":\"97\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S2590157525008338\",\"RegionNum\":1,\"RegionCategory\":\"农林科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, APPLIED\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Food Chemistry: X","FirstCategoryId":"97","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2590157525008338","RegionNum":1,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, APPLIED","Score":null,"Total":0}
A fusion strategy of multivariate flavor analysis techniques for the discrimination of aged sauce-flavor Baijiu
In the present work, effective methods for determining the age of sauce-flavor Baijiu by multivariate data analysis and machine learning techniques were explored. Considering the complex and dynamic flavor changes during Baijiu storage, four analytical techniques, including gas chromatography–mass spectrometry (GC–MS), gas chromatography-ion mobility spectrometry (GC-IMS), electronic nose (E-nose) and electronic tongue (E-tongue) were integrated, to build a multilayered flavor profile of Baijiu. Four types of classification models were further constructed. The fusion data strategy combined with oversampling method of synthetic minority over-sampling technique (SMOTE) and neural network, significantly enhance the accuracy (0.96) and precision (0.97) of aged Baijiu determination (ranged from 1 year to 30 years). A total of 28 important features were screened out, including furfural, 2-hexanol (GC–MS), Area 65 (GC-IMS), and bitterness (E-tongue). Furthermore, potential correlations among different data sources were discussed. The astringency (E-tongue) showed a positive correlation with ethyl lactate (GC–MS) and Area 40 (GC-IMS).
期刊介绍:
Food Chemistry: X, one of three Open Access companion journals to Food Chemistry, follows the same aims, scope, and peer-review process. It focuses on papers advancing food and biochemistry or analytical methods, prioritizing research novelty. Manuscript evaluation considers novelty, scientific rigor, field advancement, and reader interest. Excluded are studies on food molecular sciences or disease cure/prevention. Topics include food component chemistry, bioactives, processing effects, additives, contaminants, and analytical methods. The journal welcome Analytical Papers addressing food microbiology, sensory aspects, and more, emphasizing new methods with robust validation and applicability to diverse foods or regions.