农药二嗪农的表面增强拉曼光谱研究及定量分析  

Research of Pesticides Diazinon's Surface Enhanced Raman Spectra and Quantitative Analysis

作　　者：苗雨晴[1] 刘翠玲[1] 孙晓荣[1] 赵琦[1] 

机构地区：[1]北京工商大学计算机与信息工程学院,北京100048

出　　处：《光散射学报》2015年第2期123-127,共5页The Journal of Light Scattering

基　　金：北京市教委科研计划重点项目(KZ201310011012);北京市教委科技创新平台(PXM_2012_014213_000023);北京市自然科学基金资助项目(4142012)

摘　　要：本研究采集了甲醇中二嗪农溶液在银胶中的表面增强拉曼光谱,解析了其光谱内容,并对甲醇中含不同梯度浓度二嗪农样本溶液进行定量探索。结果表明,农药二嗪农在430cm-1,561cm-1,602cm-1,816cm-1,893cm-1,1125cm-1,1275cm-1,1309cm-1,1372cm-1处有明显的表面增强拉曼特征峰,其中561cm-1,602cm-1,816cm-1三处的特征峰可以用于农药二嗪农的定性分析,检出限为0.006mg/mL。在此基础上,利用偏最小二乘法(PLS)和主成分回归法(PCR)建立了甲醇中二嗪农溶液的定量分析数学模型,对校正集和预测集进行了定量分析。其中,基于偏最小二乘法(PLS)的校正模型分析结果为:相关系数R2为0.99926,RMSEC为0.0120,预测集RMSEP为0.0419;基于主成分回归法(PCR)的数学模型分析结果为:校正集相关系数R2为0.99970,RMSEC为0.0260,预测集RMSEP为0.0388。结果表明,共焦显微光谱仪结合表面增强拉曼散射(SERS)技术检测农药二嗪农含量准确性较高,可用于农药二嗪农的定性及定量检测。This study collected the surface enhanced Raman spectroscopy（SERS） of diazinon in silver nanostructures, analyze their spectral content, and attempt to quantitative analyze the different concentration of diazinon in methanol solution. Results show that the surface en- hanced Raman spectroscopy of diazinon has obvious characteristic peaks at 430 cm^-1, 561 cm^-1 ,602 cm^-1 ,816 cm^-1 ,893 cm^-1 ,1125 cm^-1,1275 cm^-1 ,1309 cm-~ ,1372 cm^-1. Among them,peaks at 561 cm^-1 ,602 cm^-1 ,816 cm^-1can be used for diazinon＇s qualitative analysis, detection limit is 0.006 mg/mL. Then established the quantitative model of diazinon in meth- anol solution based on Partial Least Squares （PLS） and Principal Component Regression （PCR）. The result of Partial Least Squares（PLS） model is： correlation coefficient R2 of cali- bration set is 0. 99926,The root mean square error of calibration（RMSEC） is 0. 0120,The root mean square error of prediction（RMSEP） is 0. 0419 ;The result of Principal Component Regression（PCR） model is：correlation coefficient R2 of calibration set is 0. 99970,the root mean square error of calibration（RMSEC） is 0. 0260,the root mean square error of prediction （RMSEP） is 0. 0388~The results showed that the surface enhanced Raman spectroscopy to detect trace levels of diazinon is fast and high accuracy and it can be used for fast, accurate qualitative and quantitative identification of pesticide diazinon.

关 键 词：二嗪农 表面增强拉曼光谱 定性分析 定量分析 偏最小二乘法 主成分回归法 

分 类 号：S-123[农业科学]