中红外、近红外和拉曼光谱法测定商品农药制剂中氰戊菊酯和马拉硫磷的含量

Quantitative Analysis of Content of Fenvalerate and Malathion in Agrochemicals by Near-infrared,Attenuated Total Reflectance Infrared and Raman Spectroscopy

利用近红外、中红外和拉曼光谱法定量分析了商品农药制剂中有效成分氰戊菊酯和马拉硫磷的含量。采用偏最小二乘法(Partial least squares,PLS)建立氰戊菊酯和马拉硫磷的定量模型并进行了优化,用独立检验集对模型适应性进行评价。近红外和中红外法测定氰戊菊酯、马拉硫磷定量模型的相关系数分别是0.9981,0.9994和0.9946,0.9998,外部验证集标准差分别是0.082,0.081和0.092,0.075,两种方法的定量效果接近;拉曼法氰戊菊酯和马拉硫磷定量模型的相关系数分别为0.9872和0.9993,外部验证集标准差分别为0.254和0.317,预测精度不及近红外和中红外法高。MIR-ATR,NIR和Raman 3种方法均能满足现场检测农药质量的需要。

The active ingredients such as fenvalerate and malathion in pesticides were determined by the methods of near-infrared, attenuated total reflectance infrared and Raman spectroscopy. The quantitative models were established by partial least squares method and optimized. The independent validation sets were used to evaluate the accuracy of models. The coefficients R2 of determination and SEP of the near-infrared spectroscopy model for fenvalerate and malathion were 0. 9981 and 0. 9994, 0. 089, and 0. 081, respectively. The R2 and SEP of mid-infrared spectroscopy were 0. 9946 and 0. 9998, 0. 082 and 0. 081, respectively. Both accuracies of near-infrared spectroscopy and mid-infra- red spectroscopy were similar. The coefficients R2 of determination and SEP of Raman were 0. 9872 and 0. 9993, 0. 254 and 0. 317, respectively, which shows a lower accuracy compared to the other two methods. The result indicated that near-infrared, mid-Infrared and Raman spectroscopy can be applied to the rapid determination of the content of the active ingredients precisely. It is of great significance in the area of on-line determination in the enterprise and the rapid analysis of agrichemicals in the quality monitoring department.