文章摘要
基于表面增强拉曼与卷积神经网络实现多水果基质农药混合残留现场快速识别
Rapid On-Site Identification of Mixed Pesticide Residues in Multiple Fruit Matrices Based on Surface-Enhanced Raman Spectroscopy and Convolutional Neural Network
投稿时间:2026-01-13  修订日期:2026-03-02
DOI:
中文关键词: 表面增强拉曼光谱(SERS)  多农药残留  卷积神经网络  便携式拉曼光谱  现场检测;农产品安全
英文关键词: Surface-enhanced Raman spectroscopy (SERS)  multi-pesticide residues  convolutional neural network  portable Raman spectroscopy  on-site detection  agricultural product safety
基金项目:中央级公益性科研院所基本科研业务费专项(Y2024QC29);天津市自然科学基金(24JCYBJC00560);中国农业科学院创新工程基础研究中心项目(CAAS-BRC-GLCA-2025-02);国家重点研发计划(2021YFD2000203)
作者单位邮编
王馨若 华中农业大学 430070
申忠华 农业农村部环境保护科研监测所 
刘文婧 农业农村部环境保护科研监测所 
杨中华 华中农业大学 植物科学技术学院 
贺泽英* 农业农村部环境保护科研监测所 300191
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中文摘要:
      【目的】本研究旨在构建一种可现场部署的表面增强拉曼光谱–卷积神经网络(SERS–CNN)集成平台,实现对不同水果基质中多组分农药混合残留的快速、准确识别,并通过可解释性算法和果园实地验证评估其在真实农业场景中的可靠性与泛化能力。【方法】采用柠檬酸还原方法制备可重现的金纳米颗粒(AuNPs)SERS 基底,并采集苹果、桃、梨和葡萄等基质中单组分及多组分农药混合物的拉曼光谱;在此基础上设计并训练CNN模型,实现对农药多残留的快速识别,并通过 Grad-CAM 进行模型可解释性分析,同时在果园开展现场验证以评估体系的应用性能。【结果】本研究构建了一个涵盖苹果、桃、梨和葡萄等多基质、共 5 979 条 SERS 光谱的多农药混合残留数据库,通过利用CNN对多基质 SERS 光谱进行特征自动提取与分类建模,建立了基于 SERS–CNN 的现场快速筛查方法。该方法在标准样品和真实水果提取液上的识别准确率分别达到 96.86% 和 96.59%,整体性能优于长短时记忆网络 (LSTM)、支持向量机(SVM)和随机森林(RF)等模型,并通过 Grad-CAM 可视化和果园现场实验验证了其可解释性、跨基质泛化能力及实际应用潜力。【结论】本研究提出的SERS–CNN 集成体系能够在复杂水果基质中实现农药多残留的快速、准确和可现场部署的筛查,为果园实际监测与食品安全监管提供了一种高效、可扩展的技术途径。
英文摘要:
      This study aims to develop a field-deployable surface-enhanced Raman spectroscopy–convolutional neural network (SERS–CNN) integrated platform for the rapid and accurate identification of multi-component pesticide mixture residues in different fruit matrices, and to evaluate its reliability and generalization capability in real agricultural scenarios through explainable algorithms and orchard-based field validation.Reproducible AuNP-based SERS substrates were prepared using a citrate reduction method, and Raman spectra of single-component and multi-component pesticide mixtures were collected from various fruit matrices, including apples, peaches, pears, and grapes. A convolutional neural network was subsequently designed and trained to enable rapid identification of complex pesticide mixture residues from the acquired SERS spectra. Model interpretability was investigated using Gradient-weighted Class Activation Mapping (Grad-CAM), and field validation experiments were conducted in orchards to assess the practical performance of the proposed system.A comprehensive multi-pesticide mixture residue database comprising 5,979 SERS spectra across multiple fruit matrices (apple, peach, pear, and grape) was established. By leveraging the automatic feature extraction and classification capabilities of convolutional neural networks, a CNN–SERS-based on-site rapid screening method was developed for multi-matrix pesticide residue analysis. The proposed method achieved identification accuracies of 96.86% and 96.59% for standard samples and real fruit extracts, respectively, outperforming conventional algorithms such as LSTM, support vector machine (SVM), and random forest. Furthermore, Grad-CAM visualization and orchard-based field experiments validated the model’s interpretability, cross-matrix generalization ability, and practical application potential. The proposed CNN–SERS integrated platform enables rapid, accurate, and field-deployable screening of multi-pesticide mixture residues in complex fruit matrices, providing an efficient and scalable technical approach for practical orchard monitoring and food safety supervision.
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