{"title":"利用 SERS 结合机器/深度学习快速检测昆布茶发酵过程中的 l-茶氨酸的方法","authors":"Songguang Zhao, Tianhui Jiao, Selorm Yao-Say Solomon Adade, Zhen Wang, Xiaoxiao Wu, Qin Ouyang, Quansheng Chen","doi":"10.1016/j.microc.2024.111557","DOIUrl":null,"url":null,"abstract":"The rapid detection of key indicators during the fermentation is crucial for improving product quality. In light of this, a strategy was developed for the rapid detection of -Theanine during kombucha fermentation using surface-enhanced Raman Scattering (SERS) coupled with machine/deep learning methodologies. After analyzing the attribution of -Theanine SERS characteristic peaks, effective variable features, converted features, and depth features were extracted, and calibration models were constructed employing Partial Least Squares (PLS), Support Vector Machine (SVM), and a one-dimensional Convolutional Neural Network (1DCNN). Based on the first 10 principal components derived via principal component analysis (PCA), the established model, PCA10-1DCNN, displayed superior performance with a determination coefficient (R) of 0.9750. PCA10-1DCNN achieved commendable verification efficacy, with a maximum error of 4.4460 µg/mL, indicating the efficacy of this strategy for the -Theanine rapid detection. This study offers a viable strategy for the -Theanine rapid detection in the production of tea-based beverages.","PeriodicalId":391,"journal":{"name":"Microchemical Journal","volume":null,"pages":null},"PeriodicalIF":4.9000,"publicationDate":"2024-09-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A rapid method for detecting l-Theanine during kombucha fermentation using SERS combined with machine/deep learning\",\"authors\":\"Songguang Zhao, Tianhui Jiao, Selorm Yao-Say Solomon Adade, Zhen Wang, Xiaoxiao Wu, Qin Ouyang, Quansheng Chen\",\"doi\":\"10.1016/j.microc.2024.111557\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The rapid detection of key indicators during the fermentation is crucial for improving product quality. In light of this, a strategy was developed for the rapid detection of -Theanine during kombucha fermentation using surface-enhanced Raman Scattering (SERS) coupled with machine/deep learning methodologies. After analyzing the attribution of -Theanine SERS characteristic peaks, effective variable features, converted features, and depth features were extracted, and calibration models were constructed employing Partial Least Squares (PLS), Support Vector Machine (SVM), and a one-dimensional Convolutional Neural Network (1DCNN). Based on the first 10 principal components derived via principal component analysis (PCA), the established model, PCA10-1DCNN, displayed superior performance with a determination coefficient (R) of 0.9750. PCA10-1DCNN achieved commendable verification efficacy, with a maximum error of 4.4460 µg/mL, indicating the efficacy of this strategy for the -Theanine rapid detection. This study offers a viable strategy for the -Theanine rapid detection in the production of tea-based beverages.\",\"PeriodicalId\":391,\"journal\":{\"name\":\"Microchemical Journal\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.9000,\"publicationDate\":\"2024-09-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Microchemical Journal\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1016/j.microc.2024.111557\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Microchemical Journal","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1016/j.microc.2024.111557","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
A rapid method for detecting l-Theanine during kombucha fermentation using SERS combined with machine/deep learning
The rapid detection of key indicators during the fermentation is crucial for improving product quality. In light of this, a strategy was developed for the rapid detection of -Theanine during kombucha fermentation using surface-enhanced Raman Scattering (SERS) coupled with machine/deep learning methodologies. After analyzing the attribution of -Theanine SERS characteristic peaks, effective variable features, converted features, and depth features were extracted, and calibration models were constructed employing Partial Least Squares (PLS), Support Vector Machine (SVM), and a one-dimensional Convolutional Neural Network (1DCNN). Based on the first 10 principal components derived via principal component analysis (PCA), the established model, PCA10-1DCNN, displayed superior performance with a determination coefficient (R) of 0.9750. PCA10-1DCNN achieved commendable verification efficacy, with a maximum error of 4.4460 µg/mL, indicating the efficacy of this strategy for the -Theanine rapid detection. This study offers a viable strategy for the -Theanine rapid detection in the production of tea-based beverages.
期刊介绍:
The Microchemical Journal is a peer reviewed journal devoted to all aspects and phases of analytical chemistry and chemical analysis. The Microchemical Journal publishes articles which are at the forefront of modern analytical chemistry and cover innovations in the techniques to the finest possible limits. This includes fundamental aspects, instrumentation, new developments, innovative and novel methods and applications including environmental and clinical field.
Traditional classical analytical methods such as spectrophotometry and titrimetry as well as established instrumentation methods such as flame and graphite furnace atomic absorption spectrometry, gas chromatography, and modified glassy or carbon electrode electrochemical methods will be considered, provided they show significant improvements and novelty compared to the established methods.