Near infrared spectroscopy combined with chemometrics for quantitative analysis of corn oil in edible blend oil

化学计量学 五元 三元运算 大豆油 均方误差 残余油 植物油 变量消去 残余物 数学 材料科学 生物系统 统计 化学 色谱法 计算机科学 人工智能 算法 食品科学 程序设计语言 推论 有机化学 复合材料 合金 生物
作者
Huan Zhang,Xiao Hu,Limei Liu,Junfu Wei,Xihui Bian
出处
期刊:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [Elsevier BV]
卷期号:270: 120841-120841 被引量:63
标识
DOI:10.1016/j.saa.2021.120841
摘要

In this study, near infrared (NIR) spectroscopy combined with chemometrics was used for the quantitative analysis of corn oil in binary to hexanary edible blend oil. Sesame oil, soybean oil, rice oil, sunflower oil and peanut oil were mixed with corn oil subsequently to form binary, ternary, quaternary, quinary and hexanary blend oil datasets. NIR spectra for the five order blend oil datasets were measured in a transmittance mode in the range of 12000-4000 cm-1. Partial least square (PLS) was used to build models for the five datasets. Six spectral preprocessing methods and their combinations were investigated to improve the prediction performance. Furthermore, the optimal preprocessing-PLS models were further optimized by uninformative variable elimination (UVE), Monte Carlo uninformative variable elimination (MCUVE) and randomization test (RT) variable selection methods. The optimal models acquire root mean square error of prediction (RMSEP) of 1.7299, 2.2089, 2.3742, 2.5608 and 2.6858 for binary, ternary, quaternary, quinary and hexanary blend oil datasets, respectively. The determination coefficients of prediction set (R2P) and residual predictive deviations (RPDs) for the five datasets are all above 0.93 and 3. Results show that the prediction accuracy is gradually decreased with the increasing of mixture order of blend oil. However, with proper spectral preprocessing and variable selection, the optimal models present good prediction accuracy even for the higher order blend oil. It demonstrates that NIR technology is feasible for determining the pure oil contents in binary to hexanary blend oil.
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