基于氢谱核磁共振的岭回归算法快速预测煎炸油氧化指标Rapid Prediction of Oxidation Index of Frying Oil Based on Ridge Regression Algorithm of 1H NMR Spectroscopy
荣菡,游杰舜,甘露菁,黄茜楠,林小凤
摘要(Abstract):
通过氢谱核磁共振技术检测并分析大豆油煎炸时的氧化产物,经主成分分析后确定Z,E-共轭结构、E,E-共轭结构、直链饱和醛、(E,E)-2,4-二烯醛、(E)-2-烯醛5种特征基团作为特征矩阵,采用岭回归算法构建了煎炸油同时检测过氧化值与极性组分的快速预测模型,结果表明,交叉验证下正则化参数α为0.077,过氧化值与极性组分模型的决定系数(R~2)分别为0.968与0.957,均方根残差(RMSE)分别为0.208与5.249,经重现性检验,预测值与国标值相对标准偏差小于5%,说明预测法重现性和精度良好。同时,采用两种方法检测时没有显著性差异,说明基于氢谱核磁共振和机器学习算法联用,构建氧化指标的预测模型,可为煎炸油品质监测指标提供一种新思路。
关键词(KeyWords): 氢谱核磁共振;岭回归;煎炸油;氧化指标预测
基金项目(Foundation): 广东高校省级重点平台项目特色创新类(2019KTSCX219);; 2021广东省省级大学生创新创业训练计划项目(202108762104)
作者(Author): 荣菡,游杰舜,甘露菁,黄茜楠,林小凤
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