Yue Wang, Na Guo, Xueming He, Fei Shen, Yong Liang
{"title":"从吸收和散射效应中分离内源荧光物质的荧光定量预测花生油氧化程度","authors":"Yue Wang, Na Guo, Xueming He, Fei Shen, Yong Liang","doi":"10.1007/s12161-024-02743-1","DOIUrl":null,"url":null,"abstract":"<div><p>In this study, different oxidation levels of peanut oils were prepared by heating different brands of oils at different times; the peroxide value (PV) and acid value (AV) were determined as reference values. The fluorescence intensity (<i>F</i>), absorption (<i>μ</i><sub><i>a</i></sub>), and reduced scattering coefficients (<i>μ’</i><sub><i>s</i></sub>) of oils were obtained by using an independently developed spectra measurement system, which was based on laser-induced fluorescence and integrated sphere techniques. Principal component analysis (PCA) was conducted on three kinds of spectra; the principal components (PCs) were extracted, and the clustering trend was analyzed. Finally, the regression models for PV and AV based on different integrations of the first five PCs of three kinds of spectra were calibrated by using different algorithms: multiple linear regression (MLR), partial least squares regression (PLSR), support vector regression (SVR), and artificial neural network (ANN). The results indicated that the optimal prediction results could be achieved by ANN based on the integration of <i>F</i>, <i>μ</i><sub><i>a</i></sub>, and <i>μ’</i><sub><i>s</i></sub> for PV and SVR based on the integration of <i>F</i>, <i>μ</i><sub><i>a</i></sub>, and <i>μ’</i><sub><i>s</i></sub> for AV, with maximum determination coefficients for validation set (<i>R</i><sup><i>2</i></sup><sub><i>v</i></sub>) of 0.873 and 0.854, respectively, and minimum root mean square errors for validation set (RMSEV) of 2.896 meq·kg<sup>−1</sup> and 0.154 mg·g<sup>−1</sup>, respectively. The proposed novel method that considers the disentangling effect of <i>μ</i><sub><i>a</i></sub> and <i>μ’</i><sub><i>s</i></sub> on fluorescence can realize robust detection for the oxidation degree of peanut oils.</p></div>","PeriodicalId":561,"journal":{"name":"Food Analytical Methods","volume":"18 4","pages":"532 - 541"},"PeriodicalIF":2.6000,"publicationDate":"2024-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Disentangling Fluorescence of Endogenous Fluorescent Substances from Absorption and Scattering Effects for Quantitative Prediction for Oxidation Degree of Peanut Oils\",\"authors\":\"Yue Wang, Na Guo, Xueming He, Fei Shen, Yong Liang\",\"doi\":\"10.1007/s12161-024-02743-1\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>In this study, different oxidation levels of peanut oils were prepared by heating different brands of oils at different times; the peroxide value (PV) and acid value (AV) were determined as reference values. The fluorescence intensity (<i>F</i>), absorption (<i>μ</i><sub><i>a</i></sub>), and reduced scattering coefficients (<i>μ’</i><sub><i>s</i></sub>) of oils were obtained by using an independently developed spectra measurement system, which was based on laser-induced fluorescence and integrated sphere techniques. Principal component analysis (PCA) was conducted on three kinds of spectra; the principal components (PCs) were extracted, and the clustering trend was analyzed. Finally, the regression models for PV and AV based on different integrations of the first five PCs of three kinds of spectra were calibrated by using different algorithms: multiple linear regression (MLR), partial least squares regression (PLSR), support vector regression (SVR), and artificial neural network (ANN). The results indicated that the optimal prediction results could be achieved by ANN based on the integration of <i>F</i>, <i>μ</i><sub><i>a</i></sub>, and <i>μ’</i><sub><i>s</i></sub> for PV and SVR based on the integration of <i>F</i>, <i>μ</i><sub><i>a</i></sub>, and <i>μ’</i><sub><i>s</i></sub> for AV, with maximum determination coefficients for validation set (<i>R</i><sup><i>2</i></sup><sub><i>v</i></sub>) of 0.873 and 0.854, respectively, and minimum root mean square errors for validation set (RMSEV) of 2.896 meq·kg<sup>−1</sup> and 0.154 mg·g<sup>−1</sup>, respectively. The proposed novel method that considers the disentangling effect of <i>μ</i><sub><i>a</i></sub> and <i>μ’</i><sub><i>s</i></sub> on fluorescence can realize robust detection for the oxidation degree of peanut oils.</p></div>\",\"PeriodicalId\":561,\"journal\":{\"name\":\"Food Analytical Methods\",\"volume\":\"18 4\",\"pages\":\"532 - 541\"},\"PeriodicalIF\":2.6000,\"publicationDate\":\"2024-12-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Food Analytical Methods\",\"FirstCategoryId\":\"97\",\"ListUrlMain\":\"https://link.springer.com/article/10.1007/s12161-024-02743-1\",\"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 Analytical Methods","FirstCategoryId":"97","ListUrlMain":"https://link.springer.com/article/10.1007/s12161-024-02743-1","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}
Disentangling Fluorescence of Endogenous Fluorescent Substances from Absorption and Scattering Effects for Quantitative Prediction for Oxidation Degree of Peanut Oils
In this study, different oxidation levels of peanut oils were prepared by heating different brands of oils at different times; the peroxide value (PV) and acid value (AV) were determined as reference values. The fluorescence intensity (F), absorption (μa), and reduced scattering coefficients (μ’s) of oils were obtained by using an independently developed spectra measurement system, which was based on laser-induced fluorescence and integrated sphere techniques. Principal component analysis (PCA) was conducted on three kinds of spectra; the principal components (PCs) were extracted, and the clustering trend was analyzed. Finally, the regression models for PV and AV based on different integrations of the first five PCs of three kinds of spectra were calibrated by using different algorithms: multiple linear regression (MLR), partial least squares regression (PLSR), support vector regression (SVR), and artificial neural network (ANN). The results indicated that the optimal prediction results could be achieved by ANN based on the integration of F, μa, and μ’s for PV and SVR based on the integration of F, μa, and μ’s for AV, with maximum determination coefficients for validation set (R2v) of 0.873 and 0.854, respectively, and minimum root mean square errors for validation set (RMSEV) of 2.896 meq·kg−1 and 0.154 mg·g−1, respectively. The proposed novel method that considers the disentangling effect of μa and μ’s on fluorescence can realize robust detection for the oxidation degree of peanut oils.
期刊介绍:
Food Analytical Methods publishes original articles, review articles, and notes on novel and/or state-of-the-art analytical methods or issues to be solved, as well as significant improvements or interesting applications to existing methods. These include analytical technology and methodology for food microbial contaminants, food chemistry and toxicology, food quality, food authenticity and food traceability. The journal covers fundamental and specific aspects of the development, optimization, and practical implementation in routine laboratories, and validation of food analytical methods for the monitoring of food safety and quality.