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利用特征波长优化算法提高傅里叶近红外光谱法测定小麦中玉米赤霉烯酮含量的准确性。

Improve the accuracy of FT-NIR for determination of zearalenone content in wheat by using the characteristic wavelength optimization algorithm.

机构信息

School of Electrical and Information Engineering, Jiangsu University, Zhenjiang 212013, PR China.

School of Electrical and Information Engineering, Jiangsu University, Zhenjiang 212013, PR China.

出版信息

Spectrochim Acta A Mol Biomol Spectrosc. 2024 May 15;313:124169. doi: 10.1016/j.saa.2024.124169. Epub 2024 Mar 15.

Abstract

The research contributes a unique method to achieve high-precision quantification of zearalenone (ZEN) in wheat, significantly improving accuracy in the analysis. Fourier transform near infrared spectroscopy (FT-NIR) was employed to capture the spectral information of wheat with different mildew degrees. Three feature selection models, competitive adaptive reweighted sampling (CARS), support vector machine-recursive feature elimination (SVM-RFE), and multiple feature-spaces ensemble-least absolute shrinkage and selection operator (MFE-LASSO) were introduced to processed pre-processed near-infrared spectral data and established partial least squares (PLS) regression according to the selected features. The outcomes indicated that the optimal generalization performance was achieved by the PLS model optimized through the MFE-LASSO model. The root mean square error of prediction (RMSEP) was 18.6442 μg·kg, coefficient of predictive determination (R) was 0.9545, and relative percent deviation (RPD) was 4.3198. According to the results, it is feasible to construct a stoichiometric model for the quantitative determination of ZEN in wheat by using FT-NIR combined with feature selection algorithm, and this method can also be extended to the detection of various molds in other cereals in the future.

摘要

该研究为实现小麦中玉米赤霉烯酮(ZEN)的高精度定量贡献了一种独特的方法,显著提高了分析的准确性。傅里叶变换近红外光谱(FT-NIR)用于捕获不同霉变程度的小麦的光谱信息。引入了三种特征选择模型,竞争自适应重加权采样(CARS)、支持向量机递归特征消除(SVM-RFE)和多特征空间集成最小绝对收缩和选择算子(MFE-LASSO),以处理预处理近红外光谱数据,并根据所选特征建立偏最小二乘(PLS)回归。结果表明,通过 MFE-LASSO 模型优化的 PLS 模型达到了最佳的泛化性能。预测的均方根误差(RMSEP)为 18.6442μg·kg,预测决定系数(R)为 0.9545,相对百分偏差(RPD)为 4.3198。根据结果,使用 FT-NIR 结合特征选择算法构建小麦中 ZEN 的定量测定化学计量模型是可行的,该方法将来也可以扩展到其他谷物中各种霉菌的检测。

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