{"title":"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","authors":"CongLi Mei , Jihong Deng , Jian Li , Hui Jiang","doi":"10.1016/j.saa.2025.126216","DOIUrl":null,"url":null,"abstract":"<div><div>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<sup>−1</sup>, 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.</div></div>","PeriodicalId":433,"journal":{"name":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","volume":"338 ","pages":"Article 126216"},"PeriodicalIF":4.3000,"publicationDate":"2025-04-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Intermediate data fusion improves the accuracy of near-infrared spectroscopy and Raman spectroscopy for the detection of aflatoxin B1 in peanuts\",\"authors\":\"CongLi Mei , Jihong Deng , Jian Li , Hui Jiang\",\"doi\":\"10.1016/j.saa.2025.126216\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>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<sup>−1</sup>, 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.</div></div>\",\"PeriodicalId\":433,\"journal\":{\"name\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"volume\":\"338 \",\"pages\":\"Article 126216\"},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2025-04-09\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1386142525005220\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"SPECTROSCOPY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1386142525005220","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"SPECTROSCOPY","Score":null,"Total":0}
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.
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.