Quantitative Analysis of the Content of Deltamethrin in Agrochemicals by Near-Infrared, Attenuated Total Reflectance Infrared and Raman Spectroscopy
XIONG Yan-mei1, TANG Guo1，DUAN Jia1, LI Chun-zi1, WANG Dong2, MIN Shun-geng1*
1. College of Science, China Agricultural University, Beijing 100193, China 2. Beijing Academy of Agriculture and Forestry Sciences，Beijing 100097, China
摘要： 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溴氰菊酯的含量，采用偏最小二乘法(partial least squares, PLS)建立溴氰菊酯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。近红外和中红外法溴氰菊酯定量模型的相关系数和定标标准差分别是0.999 9，0.022和0.999 6，0.056，两种方法的定量效果接近;拉曼法溴氰菊酯定量模型的相关系数是0.996 7，定标标准差是0.172，预测精度不如近红外和中红外高。MIR-ATR, NIR和Raman方法均能满足现场检测农药质量的需要，对生产企业的连续在线检测、监督部门进行农药质量控制和农产品安全具有重要意义。
关键词：近红外光谱;中红外光谱;拉曼光谱;农药制剂;偏最小二乘法;溴氰菊酯
Abstract：The method of near-infrared, attenuated total reflectance infrared and Raman spectroscopy was used for the rapid determination of the content of deltamethrin in agrochemicals. The quantitative models were established by PLS (partial least squares) method and optimized. The independent validation sets were used to evaluate the model accuracy. The determination coefficient R2 and RMSECV of the near-infrared model and mid-infrared model were 0.999 9, 0.022 and 0.999 6 and 0.056, respectively. The accuracy of both was similar. The determination coefficient R2 and RMSECV of Raman were 0.996 7 and 0.172，which exhibits the lower accuracy. 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，which has an important significance in the on-line determination, analysis on site in the enterprise and the rapid quantitative analysis of agrichemicals in the department of quality monitoring.
Key words：Near infrared;Mid infrared;Raman;Agrochemicals;Partial least square;Deltamethrin
熊艳梅1, 唐 果1，段 佳1，李春子1，王 冬2，闵顺耕1* . 近红外、中红外和拉曼光谱法测定商品农药制剂中溴氰菊酯的含量 [J]. 光谱学与光谱分析, 2010, 30(11): 2936-2940.
XIONG Yan-mei1, TANG Guo1，DUAN Jia1, LI Chun-zi1, WANG Dong2, MIN Shun-geng1* . Quantitative Analysis of the Content of Deltamethrin in Agrochemicals by Near-Infrared, Attenuated Total Reflectance Infrared and Raman Spectroscopy . SPECTROSCOPY AND SPECTRAL ANALYSIS, 2010, 30(11): 2936-2940.
