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Updated: Dec 9, 2025

Untargeted Liquid Chromatography-Mass Spectrometry-Based Metabolomics Analysis of Wheat Grain
Published on: March 13, 2020
Rapid and nondestructive determination of deoxynivalenol (DON) content in wheat using multispectral imaging (MSI)
Yule Shi1, Wei Liu2, Pengguang Zhao1
1School of Food and Biological Engineering, Hefei University of Technology, Hefei, 230009, China. lzheng@hfut.edu.cn lei.zheng@aliyun.com changhong22@hfut.edu.cn.
Abstract:
Wheat is susceptible to contamination by deoxynivalenol (DON) which is regarded as a class III carcinogen. In this paper, a rapid and nondestructive method for DON content determination and contamination degree discrimination in wheat was developed by using a multispectral imaging (405-970 nm) system. Genetic algorithm (GA) and principal component analysis (PCA), as preprocessing methods, were used to obtain the best spectral characteristics. The determination model was established by combining preprocessing methods and chemometric methods including partial least squares (PLS), support vector machines (SVM) and back propagation neural network (BPNN). The best quantitative determination result was obtained based on GA-SVM with a correlation coefficient of prediction (Rp), root mean square error of prediction (RMSEP) and residual predictive deviation (RPD) of 0.9988, 365.3 μg kg-1 and 8.6, respectively. Furthermore, the accuracy of contamination degree classification was up to 94.29% in the prediction set by using the PCA-PLS model. The results showed that the combination of multispectral imaging technology and chemometrics was an effective and nondestructive method for the determination of DON in wheat.

