Zhu Jiaji, Sharma Arumugam Selva, Xu Jing, Xu Yi, Jiao Tianhui, Ouyang Qin, Li Huanhuan, Chen Quansheng
School of Food and Biological Engineering, Jiangsu University, Zhenjiang 212013, PR China; School of Electrical Engineering, Yancheng Institute of Technology, Yancheng 224051, PR China.
School of Food and Biological Engineering, Jiangsu University, Zhenjiang 212013, PR China.
Spectrochim Acta A Mol Biomol Spectrosc. 2021 Feb 5;246:118994. doi: 10.1016/j.saa.2020.118994. Epub 2020 Sep 25.
In this study, a novel analytical approach is proposed for the identification of pesticide residues in tea by combining surface-enhanced Raman scattering (SERS) with a deep learning method one-dimensional convolutional neural network (1D CNN). First, a handheld Raman spectrometer was used for rapid on-site collection of SERS spectra. Second, the collected SERS spectra were augmented by a data augmentation strategy. Third, based on the augmented SERS spectra, the 1D CNN models were established on the cloud server, and then the trained 1D CNN models were used for subsequent pesticide residue identification analysis. In addition, to investigate the identification performance of the 1D CNN method, four conventional identification methods, including partial least square-discriminant analysis (PLS-DA), k-nearest neighbour (k-NN), support vector machine (SVM) and random forest (RF), were also developed on the basis of the augmented SERS spectra and applied for pesticide residue identification analysis. The comparative studies show that the 1D CNN method possesses better identification accuracy, stability and sensitivity than the other four conventional identification methods. In conclusion, the proposed novel analytical approach that exploits the advantages of SERS and a deep learning method (1D CNN) is a promising method for rapid on-site identification of pesticide residues in tea.
在本研究中,提出了一种将表面增强拉曼散射(SERS)与深度学习方法一维卷积神经网络(1D CNN)相结合的新型分析方法,用于茶叶中农药残留的鉴定。首先,使用手持式拉曼光谱仪快速现场采集SERS光谱。其次,通过数据增强策略对采集到的SERS光谱进行增强。第三,基于增强后的SERS光谱,在云服务器上建立1D CNN模型,然后将训练好的1D CNN模型用于后续的农药残留鉴定分析。此外,为了研究1D CNN方法的鉴定性能,还基于增强后的SERS光谱开发了四种传统鉴定方法,包括偏最小二乘判别分析(PLS-DA)、k近邻(k-NN)、支持向量机(SVM)和随机森林(RF),并将其应用于农药残留鉴定分析。对比研究表明,1D CNN方法比其他四种传统鉴定方法具有更好的鉴定准确性、稳定性和灵敏度。总之,所提出的利用SERS和深度学习方法(1D CNN)优势的新型分析方法是一种用于茶叶中农药残留快速现场鉴定的有前途的方法。