采用表面增强拉曼光谱技术快速检测脐橙果皮中抑霉唑残留

由于采后处理过程中脐橙保鲜剂抑霉唑易通过果皮渗进果肉中残留，不慎食用后会对人体产生危害。因此，本研究探索一种基于表面增强拉曼光谱技术（Surface-Enhanced Raman Spectroscopy，SERS）的脐橙果皮中抑霉唑残留的快速检测方法。首先对SERS检测条件进行优化，分别确定了最优的检测条件为反应时间2 min，金胶加入量400 μL，NaBr作为电解质溶液且加入量为25 μL。基于以上最优检测条件，以自适应迭代惩罚最小二乘法（Adaptive Iterative Reweighted Penalized Least Squares，air PLS）、air PLS+归一化、air PLS+基线校正、air PLS+一阶导数、air PLS+标准正态变量（Standard Normal Distribution，SNV）和air PLS+多元散射校正（Multiplicative Scatter Correction，MSC）处理后的6组光谱数据为研究对象，分别采用这6种光谱预处理法建立支持向量回归（Support Vector Regression，SVR）模型并对预测性能进行比较后发现，air PLS方法所建立模型的预测集相关系数（Coefficient of the Determinant for the Prediction Set，R_P）最大，预测集均方根误差（Root-Mean-Square Error of Prediction，RMSEP）最小。对光谱数据进行主成分分析（Principal Component Analysis，PCA）特征提取，选择前7个主成分得分作为SVR预测模型的输入值。采用SVR、多元线性回归（Multiple Linear Regression，MLR）和偏最小二乘回归（Partial Least Squares Regression，PLSR）三种建模方法分析比较其对应的预测性能，其中SVR模型的预测集R_P可高达0.9156，预测集RMSEP为4.8407 mg/kg，相对标准偏差（Relative Standard Deviation，RPD）为2.3103，表明基于SVR算法对脐橙表面抑霉唑残留的预测值越接近实测值，越能有效提高模型预测准确性。试验结果表明，利用SERS结合PCA及SVR建模，可实现对脐橙果皮中抑霉唑残留的快速检测。

Rapid Detection of Imazalil Residues in Navel Orange Peel Using Surface-Enhanced Raman Spectroscopy

Imazalil, a preservative for navel orange in the process of postharvest processing, is easy to seep into the flesh through the peel and produce residues in the flesh, which is vulnerable to cause endanger to human body if it was eaten accidentally. Base on this, a fast detection method of imazalil residues in navel orange peel ,namely surface-enhanced Raman spectroscopy (SERS) was proposed in this study. Firstly, the SERS detection conditions of imazalil residues in navel orange peel were optimized, and the optimal detection conditions were determined as follows: Reaction time of 2 min, gold colloid of 400 μL, NaBr as electrolyte solution, NaBr dosage of 25 μL. Based on the above optimal conditions, 6 groups of spectral data processed by adaptive iterative penalized least squares (air PLS), air PLS combination with normalization, air PLS combination with baseline correction, air PLS combination with first derivative, air PLS combination with standard normal distribution (SNV), air PLS combination with multiplicative scatter correction (MSC) were used to establish support vector regression (SVR) models and compare the models prediction performance. And air PLS method was selected as the spectral pretreatment method, because the value of correlation coefficient computed value of prediction set (R_P) is the largest, and the value of root mean square error calculated value of the prediction set (RMSEP) is the smallest. Then, principal component analysis (PCA) was used to extract the features from spectral data, and the first seven principal component scores were selected as the input values of SVR prediction model. SVR, multiple linear regression (MLR) and partial least squares regression (PLSR) were used to analyze and compare the prediction performances. The R_P value of prediction set of SVR prediction model could reach 0.9156, the RMSEP value of their prediction set was 4.8407 mg/kg, and the relative standard deviation computation value (RPD) was 2.3103, which indicated that the closer the predicted value of imazalil residue on navel orange surface based on SVR algorithm was to the measured value, the more effective the prediction accuracy of the model could be. The above data indicated that the speedy detection of imazalil residues in navel orange peel could be emploied by SERS coupled with PCA and SVR modeling method.