基于电化学和机器学习的四种食用油不同储藏期酸败综合研究

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Song Wan , Lin Tang
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引用次数: 0

摘要

本研究采用电化学技术和机器学习相结合的新方法,研究了四种食用油(玉米油、芥末油、大豆油和葵花籽油)在 12 个月储存期间的酸败发展情况。采用循环伏安法、电化学阻抗光谱法和差分脉冲伏安法来描述油脂氧化的特征。电化学参数与传统的化学指标有很强的相关性,如 +0.2 V 的 DPV 峰值电流与对甲氧基苯胺值的相关性(r = 0.94,p <0.001)。根据电化学数据训练的随机森林模型可以准确预测总氧化值 (TOTOX),测试集的 R² 值为 0.96,RMSE 值为 2.18。该模型有效捕捉了各种油类的氧化趋势,其中芥子油的准确度最高(MAE:1.21),而葵花籽油的准确度较低(MAE:2.15)。特征重要性分析表明,电荷转移电阻和 DPV 峰值电流是最有影响力的预测因子。这种方法可对油的质量进行快速、无损的评估,有望改善食品行业的质量控制。不过,在实际应用中还需要解决电极堵塞和复杂的样品制备等难题。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Comprehensive electrochemical and machine learning-based study of rancidity in four edible oils over various storage periods

This study investigates the rancidity development in four edible oils (corn, mustard, soybean, and sunflower) over a 12-month storage period using a novel approach combining electrochemical techniques and machine learning. Cyclic voltammetry, electrochemical impedance spectroscopy, and differential pulse voltammetry were employed to characterize oil oxidation. Electrochemical parameters showed strong correlations with traditional chemical indicators, such as the DPV peak current at +0.2 V with p-anisidine value (r = 0.94, p < 0.001). A Random Forest model, trained on electrochemical data, accurately predicted Total Oxidation (TOTOX) values, achieving an R² of 0.96 and RMSE of 2.18 for the test set. The model effectively captured oxidation trends across oil types, with the highest accuracy for mustard oil (MAE: 1.21) and lower performance for sunflower oil (MAE: 2.15). Feature importance analysis revealed charge transfer resistance and DPV peak currents as the most influential predictors. This approach offers rapid, non-destructive assessment of oil quality, potentially improving quality control in the food industry. However, challenges such as electrode fouling and complex sample preparation need to be addressed for practical implementation.

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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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