中间数据融合提高了近红外光谱和拉曼光谱检测花生中黄曲霉毒素B1的准确性

IF 4.3 2区 化学 Q1 SPECTROSCOPY
CongLi Mei , Jihong Deng , Jian Li , Hui Jiang
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引用次数: 0

摘要

本研究建立了一种基于特征级数据融合的卷积神经网络(CNN)模型,用于花生中黄曲霉毒素B1 (AFB1)的定量检测。利用便携式近红外光谱仪(NIR)和拉曼光谱仪采集不同真菌污染程度花生样品的近红外光谱和拉曼光谱。然后对光谱数据进行增强和预处理,并针对每种光谱构建单独的CNN模型。在单光谱模型的基础上,对近红外光谱和拉曼光谱进行数据级和特征级融合,并建立相应的CNN模型,用于花生AFB1的定量检测。实验结果表明,与单谱CNN模型相比,采用数据融合的CNN模型的检测性能和泛化能力显著提高,尤其是采用特征级融合的CNN模型。特征级融合CNN模型的预测均方根误差为19.7787 μg·kg−1,测试集1(包含增广光谱)的预测相关系数为0.9836,测试集2(仅包含原始光谱)的预测相关系数为0.9890,相对预测偏差为7.6506。总的来说,本研究证明了数据融合的优越性和将cnn应用于光谱检测的可行性,为真菌毒素的定量检测提供了参考。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Intermediate data fusion improves the accuracy of near-infrared spectroscopy and Raman spectroscopy for the detection of aflatoxin B1 in peanuts

Intermediate data fusion improves the accuracy of near-infrared spectroscopy and Raman spectroscopy for the detection of aflatoxin B1 in peanuts
This study developed a convolutional neural network (CNN) model based on feature-level data fusion for quantitatively detecting aflatoxin B1 (AFB1) in peanuts. Using a portable near-infrared (NIR) spectrometer and a Raman spectrometer, NIR and Raman spectra were collected from peanut samples with varying levels of fungal contamination. The spectral data were then enhanced and preprocessed, and individual CNN models were constructed for each type of spectrum. Building on the single-spectrum models, data-level and feature-level fusion of the NIR and Raman spectra were performed, and corresponding CNN models were developed for the quantitative detection of AFB1 in peanuts. Experimental results demonstrated that the CNN models with data fusion significantly improved detection performance and generalization ability compared to single-spectrum CNN models, particularly those using feature-level fusion. The feature-level fusion CNN model yielded the best performance, with a root mean square error of prediction of 19.7787 μg·kg−1, a prediction correlation coefficient of 0.9836 for test set 1 (containing augmented spectra), and 0.9890 for test set 2 (containing only raw spectra), with a relative prediction deviation of 7.6506. Overall, this study demonstrated the superiority of data fusion and the feasibility of applying CNNs in spectral detection, providing a reference for quantitatively detecting mycotoxins.
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来源期刊
CiteScore
8.40
自引率
11.40%
发文量
1364
审稿时长
40 days
期刊介绍: Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy (SAA) is an interdisciplinary journal which spans from basic to applied aspects of optical spectroscopy in chemistry, medicine, biology, and materials science. The journal publishes original scientific papers that feature high-quality spectroscopic data and analysis. From the broad range of optical spectroscopies, the emphasis is on electronic, vibrational or rotational spectra of molecules, rather than on spectroscopy based on magnetic moments. Criteria for publication in SAA are novelty, uniqueness, and outstanding quality. Routine applications of spectroscopic techniques and computational methods are not appropriate. Topics of particular interest of Spectrochimica Acta Part A include, but are not limited to: Spectroscopy and dynamics of bioanalytical, biomedical, environmental, and atmospheric sciences, Novel experimental techniques or instrumentation for molecular spectroscopy, Novel theoretical and computational methods, Novel applications in photochemistry and photobiology, Novel interpretational approaches as well as advances in data analysis based on electronic or vibrational spectroscopy.
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