偏最小二乘回归
金黄色葡萄球菌
沙门氏菌
大肠杆菌
表面增强拉曼光谱
致病菌
生物系统
拉曼光谱
人工神经网络
化学
材料科学
生物
细菌
人工智能
拉曼散射
生物化学
物理
计算机科学
光学
遗传学
机器学习
基因
作者
Yuwen Zhao,Zeshuai Zhang,Ying Ning,Peiqi Miao,Zheng Li,Haixia Wang
标识
DOI:10.1016/j.saa.2023.122510
摘要
Simultaneous detection of mixed bacteria accurately and sensitively is a major challenge in microbial quality control field. In this study, we proposed a label-free SERS technique coupled with partial least squares regression (PLSR) and artificial neural networks (ANNs) for quantitative analysis of Escherichia coli, Staphylococcus aureus and Salmonella typhimurium simultaneously. SERS-active and reproducible Raman spectra can be acquired directly upon the bacteria and Au@Ag@SiO2 nanoparticle composites on the surface of gold foil substrates. After applying different preprocessing models, SERS-PLSR and SERS-ANNs quantitative analysis models were developed to map SERS spectra of concentrations of the Escherichia coli, Staphylococcus aureus and Salmonella typhimurium, respectively. Both models achieved high prediction accuracy and low prediction error, while the performance of SERS-ANNs model in both quality of fit (R2 > 0.95) and accuracy of predictions (RMSE < 0.06) was superior to SERS-PLSR model. Therefore, it is feasible to develop simultaneous quantitative analysis of mixed pathogenic bacteria by proposed SERS methodology.
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