Huang Junshi, Zhou Runhua, Lin Jinlong, Chen Qi, Liu Ping, Huang Shuanggen, Zhao Jinhui
Key Laboratory of Modern Agricultural Equipment of Jiangxi, Jiangxi Agricultural University, Nanchang 330045, China.
College of Animal Science and Technology, Jiangxi Agricultural University, Nanchang 330045, China.
Biosensors (Basel). 2025 May 1;15(5):286. doi: 10.3390/bios15050286.
Sulfadimethazine (SM2) is widely used in livestock and poultry farming, but its improper use can pose a serious threat to human health. Therefore, the detection of SM2 residues in livestock and poultry products, including duck blood, is of great significance for food safety. A rapid detection method for SM2 residues in duck blood based on surface-enhanced Raman spectroscopy (SERS) was proposed in this paper. Density functional theory (DFT) was employed to optimize the molecular structure of SM2 and perform theoretical Raman vibrational analysis, thereby identifying its characteristic peaks. The enhancement effects of four different substrates were compared. The sample pretreatment method and detection conditions were optimized through single-factor experiments, including the types and amounts of electrolyte aggregators, the amount of gold nanocolloids, and the adsorption time. Under optimal conditions, the SERS spectral data of the samples were preprocessed, and features were extracted to establish an optimal quantitative prediction model. The experimental results found that the adaptive iteratively reweighted penalized least-squares method (air-PLS) was the best preprocessing method, and the competitive adaptive reweighted sampling-multiple linear regression (CARS-MLR) model demonstrated the best prediction performance, with a coefficient of determination for the prediction set (R) of 0.9817, a root mean square error of calibration (RMSEC) of 1.5539 mg/L, a relative prediction deviation (RPD) of 7.1953, and limits of quantification of 0.75 mg/L. The research demonstrated that the combination of SERS technology and chemometric methods was feasible and effective for the detection of SM2 residues in duck blood.
磺胺二甲嘧啶(SM2)在畜禽养殖中广泛使用,但其不当使用会对人类健康构成严重威胁。因此,检测包括鸭血在内的畜禽产品中的SM2残留量对食品安全具有重要意义。本文提出了一种基于表面增强拉曼光谱(SERS)的鸭血中SM2残留量快速检测方法。采用密度泛函理论(DFT)优化SM2的分子结构并进行理论拉曼振动分析,从而识别其特征峰。比较了四种不同基底的增强效果。通过单因素实验对样品预处理方法和检测条件进行了优化,包括电解质聚集剂的种类和用量、金纳米胶体的用量以及吸附时间。在最佳条件下,对样品的SERS光谱数据进行预处理,提取特征,建立了最优的定量预测模型。实验结果表明,自适应迭代重加权惩罚最小二乘法(air-PLS)是最佳的预处理方法,竞争自适应重加权采样-多元线性回归(CARS-MLR)模型的预测性能最佳,预测集的决定系数(R)为0.9817,校正均方根误差(RMSEC)为1.5539 mg/L,相对预测偏差(RPD)为7.1953,定量限为0.75 mg/L。研究表明,SERS技术与化学计量学方法相结合用于检测鸭血中SM2残留量是可行且有效的。