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番茄表层硫丹残留的近红外快速检测方法
引用本文:袁文博,相秉仁,赵陆华,于丽燕.番茄表层硫丹残留的近红外快速检测方法[J].中国药科大学学报,2012,43(2):164-169.
作者姓名:袁文博  相秉仁  赵陆华  于丽燕
作者单位:中国药科大学分析测试中心;药物质量与安全预警教育部重点实验室;中国药科大学分析测试中心;药物质量与安全预警教育部重点实验室;中国药科大学分析测试中心;药物质量与安全预警教育部重点实验室;中国药科大学分析测试中心;药物质量与安全预警教育部重点实验室
基金项目:广东省教育厅产学研结合项目资助(No.2007A090302100)
摘    要:选择经Rubberband 64点基线校正和二阶导数(平滑窗口为17,拟合阶数为2)预处理的近红外漫反射光谱,采用Boosting偏最小二乘法(PLS),利用5个子模型建立了番茄表层硫丹残留量预测模型,并对模型的预测性能进行验证。模型的定标系数为0.992,预测残留量范围为5.1~134.1 ng,预测均方根误差(RMSEP)和校正均方误差(RMSECV)分别为2.79 和2.82,训练集和预测集的回收率范围分别为(100.1±1.4)%和(98.9±2.6)%。结果表明:本法快速、准确,有望成为新的蔬菜表层农药残留监测方法。

关 键 词:硫丹  近红外光谱技术  残留检测  Boosting偏最小二乘法  共识策略

Rapid determination of endosulfan residue on tomato pericarp by near infrared spectroscopy
YUAN Wen-bo,XIANG Bing-ren,ZHAO Lu-hua and YU Li-yan.Rapid determination of endosulfan residue on tomato pericarp by near infrared spectroscopy[J].Journal of China Pharmaceutical University,2012,43(2):164-169.
Authors:YUAN Wen-bo  XIANG Bing-ren  ZHAO Lu-hua and YU Li-yan
Institution:Center for Instrumental Analysis,China Pharmaceutical University,Key Laboratory of Drug Quality Control and Pharmacovigilance,Ministry of Education,Nanjing 210009,China
Abstract:A rapid method based on near infrared diffuse reflectance spectroscopy was established for the detection of endosulfan residue on tomato pericarp.A Boosting partial least square(Boosting-PLS) regression was applied for building the quantitative models with second derivatives(polynomial order=2,width of the window=17 points) and Rubberband baseline correction(n=64) as the pre-processing method.Promising results were achieved with determination coefficent of 0.992 and the root mean square error of cross validation/prediction(RMSECV and RMSEP) of 2.82/2.79.The confidence interval(α=0.05) of average recoveries for calibration and prediction sets were(101.1±1.4)% and(98.9±2.6)%,respectively.The method showed the potential of being a rapid,economical and environmentally acceptable method for detecting endosulfan residue on fruit pericarp.
Keywords:endosulfan  near infrared spectroscopy  residue detection  boosting partial least square regression  consensus strategy
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