{"title":"基于竞争自适应重加权采样和支持向量回归的拉曼光谱快速植物油脂肪酸检测","authors":"Linjiang Pang, Hui Chen, Liqing Yin, Jiyu Cheng, Jiande Jin, Honghui Zhao, Zhihao Liu, Longlong Dong, Huichun Yu, Xinghua Lu","doi":"10.1093/fqsafe/fyac053","DOIUrl":null,"url":null,"abstract":"\n \n \n The composition and content of fatty acids are critical indicators of vegetable oils quality. To overcome the drawbacks of traditional detection methods, Raman spectroscopy was investigated for the fast determination of fatty acids composition in oil.\n \n \n \n Rapeseed and soybean oil at different depths of the oil tank at different storage times were collected, and an eighth-degree polynomial function was used to fit the Raman spectrum. Then, the multivariate scattering correction, standard normal variable transformation (SNV), and Savitzky-Golay convolution smoothing methods were compared.\n \n \n \n Polynomial fitting combined with SNV was found to be the optimal pretreatment method. Characteristic wavelengths were selected by competitive adaptive reweighted sampling. For monounsaturated fatty acids (MUFAs), polyunsaturated fatty acids (PUFAs), and saturated fatty acids (SFAs), 44, 75, and 92 characteristic wavelengths of rapeseed oil, and 60, 114, and 60 characteristic wavelengths of soybean oil were extracted. Support vector regression was used to establish the prediction model. The R 2 values of the prediction results of MUFAs, PUFAs, and SFAs for rapeseed oil were 0.9670, 0.9568, and 0.9553, and the RMSE values were 0.0273, 0.0326, and 0.0340, respectively. The R 2 values of the prediction results of fatty acids for soybean oil were respectively 0.9414, 0.9562, and 0.9422, and RMSE values were 0.0460, 0.0378, and 0.0548, respectively. A good correlation coefficient and small RMSE value were obtained, indicating the results to be highly accurate and reliable.\n \n \n \n Raman spectroscopy, based on competitive adaptive reweighted sampling coupled with support vector regression, can rapidly and accurately analyze the fatty acid composition of vegetable oil.\n","PeriodicalId":12427,"journal":{"name":"Food Quality and Safety","volume":" ","pages":""},"PeriodicalIF":3.0000,"publicationDate":"2022-09-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Rapid Fatty Acids Detection of Vegetable Oils by Raman Spectroscopy Based on Competitive Adaptive Reweighted Sampling Coupled with Support Vector Regression\",\"authors\":\"Linjiang Pang, Hui Chen, Liqing Yin, Jiyu Cheng, Jiande Jin, Honghui Zhao, Zhihao Liu, Longlong Dong, Huichun Yu, Xinghua Lu\",\"doi\":\"10.1093/fqsafe/fyac053\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"\\n \\n \\n The composition and content of fatty acids are critical indicators of vegetable oils quality. To overcome the drawbacks of traditional detection methods, Raman spectroscopy was investigated for the fast determination of fatty acids composition in oil.\\n \\n \\n \\n Rapeseed and soybean oil at different depths of the oil tank at different storage times were collected, and an eighth-degree polynomial function was used to fit the Raman spectrum. Then, the multivariate scattering correction, standard normal variable transformation (SNV), and Savitzky-Golay convolution smoothing methods were compared.\\n \\n \\n \\n Polynomial fitting combined with SNV was found to be the optimal pretreatment method. Characteristic wavelengths were selected by competitive adaptive reweighted sampling. For monounsaturated fatty acids (MUFAs), polyunsaturated fatty acids (PUFAs), and saturated fatty acids (SFAs), 44, 75, and 92 characteristic wavelengths of rapeseed oil, and 60, 114, and 60 characteristic wavelengths of soybean oil were extracted. Support vector regression was used to establish the prediction model. The R 2 values of the prediction results of MUFAs, PUFAs, and SFAs for rapeseed oil were 0.9670, 0.9568, and 0.9553, and the RMSE values were 0.0273, 0.0326, and 0.0340, respectively. The R 2 values of the prediction results of fatty acids for soybean oil were respectively 0.9414, 0.9562, and 0.9422, and RMSE values were 0.0460, 0.0378, and 0.0548, respectively. A good correlation coefficient and small RMSE value were obtained, indicating the results to be highly accurate and reliable.\\n \\n \\n \\n Raman spectroscopy, based on competitive adaptive reweighted sampling coupled with support vector regression, can rapidly and accurately analyze the fatty acid composition of vegetable oil.\\n\",\"PeriodicalId\":12427,\"journal\":{\"name\":\"Food Quality and Safety\",\"volume\":\" \",\"pages\":\"\"},\"PeriodicalIF\":3.0000,\"publicationDate\":\"2022-09-07\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Food Quality and Safety\",\"FirstCategoryId\":\"97\",\"ListUrlMain\":\"https://doi.org/10.1093/fqsafe/fyac053\",\"RegionNum\":3,\"RegionCategory\":\"农林科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"FOOD SCIENCE & TECHNOLOGY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Food Quality and Safety","FirstCategoryId":"97","ListUrlMain":"https://doi.org/10.1093/fqsafe/fyac053","RegionNum":3,"RegionCategory":"农林科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"FOOD SCIENCE & TECHNOLOGY","Score":null,"Total":0}
Rapid Fatty Acids Detection of Vegetable Oils by Raman Spectroscopy Based on Competitive Adaptive Reweighted Sampling Coupled with Support Vector Regression
The composition and content of fatty acids are critical indicators of vegetable oils quality. To overcome the drawbacks of traditional detection methods, Raman spectroscopy was investigated for the fast determination of fatty acids composition in oil.
Rapeseed and soybean oil at different depths of the oil tank at different storage times were collected, and an eighth-degree polynomial function was used to fit the Raman spectrum. Then, the multivariate scattering correction, standard normal variable transformation (SNV), and Savitzky-Golay convolution smoothing methods were compared.
Polynomial fitting combined with SNV was found to be the optimal pretreatment method. Characteristic wavelengths were selected by competitive adaptive reweighted sampling. For monounsaturated fatty acids (MUFAs), polyunsaturated fatty acids (PUFAs), and saturated fatty acids (SFAs), 44, 75, and 92 characteristic wavelengths of rapeseed oil, and 60, 114, and 60 characteristic wavelengths of soybean oil were extracted. Support vector regression was used to establish the prediction model. The R 2 values of the prediction results of MUFAs, PUFAs, and SFAs for rapeseed oil were 0.9670, 0.9568, and 0.9553, and the RMSE values were 0.0273, 0.0326, and 0.0340, respectively. The R 2 values of the prediction results of fatty acids for soybean oil were respectively 0.9414, 0.9562, and 0.9422, and RMSE values were 0.0460, 0.0378, and 0.0548, respectively. A good correlation coefficient and small RMSE value were obtained, indicating the results to be highly accurate and reliable.
Raman spectroscopy, based on competitive adaptive reweighted sampling coupled with support vector regression, can rapidly and accurately analyze the fatty acid composition of vegetable oil.
期刊介绍:
Food quality and safety are the main targets of investigation in food production. Therefore, reliable paths to detect, identify, quantify, characterize and monitor quality and safety issues occurring in food are of great interest.
Food Quality and Safety is an open access, international, peer-reviewed journal providing a platform to highlight emerging and innovative science and technology in the agro-food field, publishing up-to-date research in the areas of food quality and safety, food nutrition and human health. It promotes food and health equity which will consequently promote public health and combat diseases.
The journal is an effective channel of communication between food scientists, nutritionists, public health professionals, food producers, food marketers, policy makers, governmental and non-governmental agencies, and others concerned with the food safety, nutrition and public health dimensions.
The journal accepts original research articles, review papers, technical reports, case studies, conference reports, and book reviews articles.