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基于近红外光谱特征的优化支持向量机模型对花生中黄曲霉毒素 B 的定量分析。

Quantitative analysis of aflatoxin B of peanut by optimized support vector machine models based on near-infrared spectral features.

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. 2023 Dec 15;303:123208. doi: 10.1016/j.saa.2023.123208. Epub 2023 Jul 26.

DOI:10.1016/j.saa.2023.123208
PMID:37527563
Abstract

This study designs a chemometric framework for quantitatively evaluating aflatoxin B (AFB) in peanuts based on near-infrared (NIR) spectroscopy technique. The NIR spectra of peanut samples exhibiting diverse fungal contamination levels were acquired using a portable NIR spectrometer. Subsequently, appropriate pre-processing techniques were employed for data refinement. To streamline the analysis, the iterative variable subset optimization (IVSO) technique was employed to conduct an initial screening of the pre-processed NIR spectra, eliminating numerous irrelevant variables. Building upon this screening process, the beluga whale optimization (BWO) algorithm was utilized to optimize the selected feature variables further. Subsequently, support vector machine (SVM) models were developed using the refined near-infrared spectral features to test AFB in peanuts quantitatively. The results indicate that the SVM model significantly improves detection performance and generalization proficiency, particularly after secondary optimization using BWO-IVSO. Among the different models considered, the SVM model established after BWO-IVSO optimization exhibited the most extraordinary level of generalization, with a root mean square error of prediction of 24.6322 μg∙kg, a correlation coefficient of 0.9761, and a relative percent deviation of 4.6999. Overall, this investigation highlights the effectiveness of the proposed NIR spectroscopy model based on BWO-IVSO-SVM for quantitatively analyzing AFB in peanuts. The study contributes valuable technical and methodological insights that can serve as a reference for rapidly determining mycotoxins in cereal crops.

摘要

本研究设计了一个基于近红外(NIR)光谱技术的化学计量学框架,用于定量评估花生中的黄曲霉毒素 B(AFB)。使用便携式 NIR 光谱仪获取表现出不同真菌污染水平的花生样品的 NIR 光谱。随后,采用适当的预处理技术对数据进行细化。为了简化分析,采用迭代变量子集优化(IVSO)技术对预处理的 NIR 光谱进行初步筛选,消除了许多不相关的变量。在此筛选过程的基础上,采用白鲸优化(BWO)算法对选定的特征变量进行进一步优化。随后,使用精炼的近红外光谱特征构建支持向量机(SVM)模型,以定量测试花生中的 AFB。结果表明,SVM 模型显著提高了检测性能和泛化能力,特别是经过 BWO-IVSO 二次优化后。在所考虑的不同模型中,经过 BWO-IVSO 优化后建立的 SVM 模型表现出最卓越的泛化水平,预测值的均方根误差为 24.6322μg∙kg,相关系数为 0.9761,相对百分偏差为 4.6999。总体而言,本研究强调了基于 BWO-IVSO-SVM 的 NIR 光谱模型在定量分析花生中的 AFB 方面的有效性。该研究提供了有价值的技术和方法学见解,可为快速测定谷物作物中的真菌毒素提供参考。

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