Shruti O Varma, Ajay L Vishwakarma, M R Sonawane, Ajay Chaudhari
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To ensure the accuracy and reliability of our findings, we applied several chemometric methods, including Hierarchical Cluster Analysis (HCA), Principal Component Analysis (PCA), Multiple Linear Regression (MLR), and Artificial Neural Networks (ANN) to detect adulteration in oils. Among these, ANN and MLR were compared for predicting the dielectric constant. The results showed that ANN performed much better than MLR, explaining R<sup>2</sup> value of 0.94 in groundnut oil and 0.96 in sunflower oil, proving it to be a more accurate method for assessing oil quality. The features that made the ANN model work better were found using SHAP analysis. The result of the SHAP value shows that the refractive index (RF) in groundnut oil and the saponification (SAP) value in sunflower oil are the most influential predictors of dielectric constant, as both parameters vary significantly with adulteration. This finding demonstrates a powerful and accurate approach for detecting adulteration and assessing the quality of edible oils.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"298 Pt A","pages":"128925"},"PeriodicalIF":6.1000,"publicationDate":"2025-09-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Integrated chemometric and machine learning approaches to study the properties of pure and adulterated edible oils.\",\"authors\":\"Shruti O Varma, Ajay L Vishwakarma, M R Sonawane, Ajay Chaudhari\",\"doi\":\"10.1016/j.talanta.2025.128925\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>The adulteration of pure edible oils, particularly with cost-effective oils like palm oil, has become a significant concern due to its detrimental impact on oil quality and human health. This study examines how palm oil adulteration affects the dielectric, physical, and chemical properties of groundnut and sunflower oils. Additionally, this study explores the nutritional differences between pure and adulterated oils, highlighting potential risks to consumers. Microwave analysis showed decreased dielectric constant and loss in groundnut and sunflower oils after palm oil blending. Chemical parameters and fatty acid composition confirmed adulteration effects and potential health risks. To ensure the accuracy and reliability of our findings, we applied several chemometric methods, including Hierarchical Cluster Analysis (HCA), Principal Component Analysis (PCA), Multiple Linear Regression (MLR), and Artificial Neural Networks (ANN) to detect adulteration in oils. Among these, ANN and MLR were compared for predicting the dielectric constant. The results showed that ANN performed much better than MLR, explaining R<sup>2</sup> value of 0.94 in groundnut oil and 0.96 in sunflower oil, proving it to be a more accurate method for assessing oil quality. The features that made the ANN model work better were found using SHAP analysis. The result of the SHAP value shows that the refractive index (RF) in groundnut oil and the saponification (SAP) value in sunflower oil are the most influential predictors of dielectric constant, as both parameters vary significantly with adulteration. This finding demonstrates a powerful and accurate approach for detecting adulteration and assessing the quality of edible oils.</p>\",\"PeriodicalId\":435,\"journal\":{\"name\":\"Talanta\",\"volume\":\"298 Pt A\",\"pages\":\"128925\"},\"PeriodicalIF\":6.1000,\"publicationDate\":\"2025-09-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Talanta\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1016/j.talanta.2025.128925\",\"RegionNum\":1,\"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":"Talanta","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1016/j.talanta.2025.128925","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Integrated chemometric and machine learning approaches to study the properties of pure and adulterated edible oils.
The adulteration of pure edible oils, particularly with cost-effective oils like palm oil, has become a significant concern due to its detrimental impact on oil quality and human health. This study examines how palm oil adulteration affects the dielectric, physical, and chemical properties of groundnut and sunflower oils. Additionally, this study explores the nutritional differences between pure and adulterated oils, highlighting potential risks to consumers. Microwave analysis showed decreased dielectric constant and loss in groundnut and sunflower oils after palm oil blending. Chemical parameters and fatty acid composition confirmed adulteration effects and potential health risks. To ensure the accuracy and reliability of our findings, we applied several chemometric methods, including Hierarchical Cluster Analysis (HCA), Principal Component Analysis (PCA), Multiple Linear Regression (MLR), and Artificial Neural Networks (ANN) to detect adulteration in oils. Among these, ANN and MLR were compared for predicting the dielectric constant. The results showed that ANN performed much better than MLR, explaining R2 value of 0.94 in groundnut oil and 0.96 in sunflower oil, proving it to be a more accurate method for assessing oil quality. The features that made the ANN model work better were found using SHAP analysis. The result of the SHAP value shows that the refractive index (RF) in groundnut oil and the saponification (SAP) value in sunflower oil are the most influential predictors of dielectric constant, as both parameters vary significantly with adulteration. This finding demonstrates a powerful and accurate approach for detecting adulteration and assessing the quality of edible oils.
期刊介绍:
Talanta provides a forum for the publication of original research papers, short communications, and critical reviews in all branches of pure and applied analytical chemistry. Papers are evaluated based on established guidelines, including the fundamental nature of the study, scientific novelty, substantial improvement or advantage over existing technology or methods, and demonstrated analytical applicability. Original research papers on fundamental studies, and on novel sensor and instrumentation developments, are encouraged. Novel or improved applications in areas such as clinical and biological chemistry, environmental analysis, geochemistry, materials science and engineering, and analytical platforms for omics development are welcome.
Analytical performance of methods should be determined, including interference and matrix effects, and methods should be validated by comparison with a standard method, or analysis of a certified reference material. Simple spiking recoveries may not be sufficient. The developed method should especially comprise information on selectivity, sensitivity, detection limits, accuracy, and reliability. However, applying official validation or robustness studies to a routine method or technique does not necessarily constitute novelty. Proper statistical treatment of the data should be provided. Relevant literature should be cited, including related publications by the authors, and authors should discuss how their proposed methodology compares with previously reported methods.