Zhizhi Fu, Lu Liu, Qiannan Duan, Liulu Yao, Qianru Wan, Chi Zhou, Weidong Wu, Fei Wang, Jianchao Lee
{"title":"基于深度学习驱动的光谱图像分析,用于多种农药和抗生素的智能监测。","authors":"Zhizhi Fu, Lu Liu, Qiannan Duan, Liulu Yao, Qianru Wan, Chi Zhou, Weidong Wu, Fei Wang, Jianchao Lee","doi":"10.1016/j.talanta.2025.128942","DOIUrl":null,"url":null,"abstract":"<p><p>With the widespread use of pesticides and antibiotics in agriculture and healthcare, their associated environmental pollution and potential health hazards have emerged as a global concern. This study presents a novel deep learning-based spectral image analysis approach that is dedicated to the intelligent monitoring of multiple pesticides and antibiotics in agricultural water bodies. A total of 6100 samples containing glyphosate (GL), bentazone (BE), benzylpenicillin potassium (BP), and tetracycline hydrochloride (TH) at concentrations range of 3.8-550 μg/L were prepared. After the samples were mixed with selected composite chromogenic reagents, the specific absorbance characteristics of the stabilized reaction mixtures were measured using a custom-designed spectrometer. The preprocessed spectral data were used to train a fine-tuned ResNet-50 deep learning model. By establishing mappings between spectral features and reference concentrations, the model effectively predicted unknown pollutant concentrations. The results indicated that the proposed method enables rapid and simultaneous detection of GL, BE, BP and TH. Under laboratory conditions, the coefficient of determination exceeded 0.993, the reliable prediction rate was over 80 % in the concentration range of 10-550 μg/L. The limits of detection for GL, BE, BP, and TH were 0.23, 0.32, 0.38, and 0.28 μg/L, respectively. In addition, the frequency of abnormal predictions for natural water samples exhibited an increase over the concentration range of 3.8-10 μg/L, while the overall accuracy remained relatively high. Our research provides a new perspective on the rapid identification of pesticides and antibiotics. In the future, we hope this method can offer a timely, cost-effective and scalable solution for the early warning and real-time tracking of pollutants in water bodies.</p>","PeriodicalId":435,"journal":{"name":"Talanta","volume":"298 Pt A","pages":"128942"},"PeriodicalIF":6.1000,"publicationDate":"2025-10-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Deep-learning-driven spectral image analysis for intelligent monitoring of multiple pesticides and antibiotics.\",\"authors\":\"Zhizhi Fu, Lu Liu, Qiannan Duan, Liulu Yao, Qianru Wan, Chi Zhou, Weidong Wu, Fei Wang, Jianchao Lee\",\"doi\":\"10.1016/j.talanta.2025.128942\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>With the widespread use of pesticides and antibiotics in agriculture and healthcare, their associated environmental pollution and potential health hazards have emerged as a global concern. This study presents a novel deep learning-based spectral image analysis approach that is dedicated to the intelligent monitoring of multiple pesticides and antibiotics in agricultural water bodies. A total of 6100 samples containing glyphosate (GL), bentazone (BE), benzylpenicillin potassium (BP), and tetracycline hydrochloride (TH) at concentrations range of 3.8-550 μg/L were prepared. After the samples were mixed with selected composite chromogenic reagents, the specific absorbance characteristics of the stabilized reaction mixtures were measured using a custom-designed spectrometer. The preprocessed spectral data were used to train a fine-tuned ResNet-50 deep learning model. By establishing mappings between spectral features and reference concentrations, the model effectively predicted unknown pollutant concentrations. The results indicated that the proposed method enables rapid and simultaneous detection of GL, BE, BP and TH. Under laboratory conditions, the coefficient of determination exceeded 0.993, the reliable prediction rate was over 80 % in the concentration range of 10-550 μg/L. The limits of detection for GL, BE, BP, and TH were 0.23, 0.32, 0.38, and 0.28 μg/L, respectively. In addition, the frequency of abnormal predictions for natural water samples exhibited an increase over the concentration range of 3.8-10 μg/L, while the overall accuracy remained relatively high. Our research provides a new perspective on the rapid identification of pesticides and antibiotics. In the future, we hope this method can offer a timely, cost-effective and scalable solution for the early warning and real-time tracking of pollutants in water bodies.</p>\",\"PeriodicalId\":435,\"journal\":{\"name\":\"Talanta\",\"volume\":\"298 Pt A\",\"pages\":\"128942\"},\"PeriodicalIF\":6.1000,\"publicationDate\":\"2025-10-03\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Talanta\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://doi.org/10.1016/j.talanta.2025.128942\",\"RegionNum\":1,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, ANALYTICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Talanta","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1016/j.talanta.2025.128942","RegionNum":1,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}
Deep-learning-driven spectral image analysis for intelligent monitoring of multiple pesticides and antibiotics.
With the widespread use of pesticides and antibiotics in agriculture and healthcare, their associated environmental pollution and potential health hazards have emerged as a global concern. This study presents a novel deep learning-based spectral image analysis approach that is dedicated to the intelligent monitoring of multiple pesticides and antibiotics in agricultural water bodies. A total of 6100 samples containing glyphosate (GL), bentazone (BE), benzylpenicillin potassium (BP), and tetracycline hydrochloride (TH) at concentrations range of 3.8-550 μg/L were prepared. After the samples were mixed with selected composite chromogenic reagents, the specific absorbance characteristics of the stabilized reaction mixtures were measured using a custom-designed spectrometer. The preprocessed spectral data were used to train a fine-tuned ResNet-50 deep learning model. By establishing mappings between spectral features and reference concentrations, the model effectively predicted unknown pollutant concentrations. The results indicated that the proposed method enables rapid and simultaneous detection of GL, BE, BP and TH. Under laboratory conditions, the coefficient of determination exceeded 0.993, the reliable prediction rate was over 80 % in the concentration range of 10-550 μg/L. The limits of detection for GL, BE, BP, and TH were 0.23, 0.32, 0.38, and 0.28 μg/L, respectively. In addition, the frequency of abnormal predictions for natural water samples exhibited an increase over the concentration range of 3.8-10 μg/L, while the overall accuracy remained relatively high. Our research provides a new perspective on the rapid identification of pesticides and antibiotics. In the future, we hope this method can offer a timely, cost-effective and scalable solution for the early warning and real-time tracking of pollutants in water bodies.
期刊介绍:
Talanta provides a forum for the publication of original research papers, short communications, and critical reviews in all branches of pure and applied analytical chemistry. Papers are evaluated based on established guidelines, including the fundamental nature of the study, scientific novelty, substantial improvement or advantage over existing technology or methods, and demonstrated analytical applicability. Original research papers on fundamental studies, and on novel sensor and instrumentation developments, are encouraged. Novel or improved applications in areas such as clinical and biological chemistry, environmental analysis, geochemistry, materials science and engineering, and analytical platforms for omics development are welcome.
Analytical performance of methods should be determined, including interference and matrix effects, and methods should be validated by comparison with a standard method, or analysis of a certified reference material. Simple spiking recoveries may not be sufficient. The developed method should especially comprise information on selectivity, sensitivity, detection limits, accuracy, and reliability. However, applying official validation or robustness studies to a routine method or technique does not necessarily constitute novelty. Proper statistical treatment of the data should be provided. Relevant literature should be cited, including related publications by the authors, and authors should discuss how their proposed methodology compares with previously reported methods.