甲基苯丙胺化学表征定量分析模型建立  

Modelling of Quantitative Analysis for Chemical Characterization of Methamphetamine

作　　者：王芳 刘杉 陈月猛 柏松 安陈蕴怡 赵子钦 杨宇 杨纯 刘发超 WANG Fang;LIU Shan;CHEN Yuemeng;BAI Song;AN Chenyunyi;ZHAO Ziqin;YANG Yu;YANG Chun;LIU Fachao(Guizhou Police College,Guiyang 550000,China;Guizhou Industry Polytechnic College,Guiyang 550008,China;Guiyang Municipal Public Security Bureau,Guiyang 550081,China)

机构地区：[1]贵州警察学院,贵州贵阳550000 [2]贵州工业职业技术学院,贵州贵阳550008 [3]贵阳市公安局,贵州贵阳550081

出　　处：《山东化工》2025年第6期137-142,共6页Shandong Chemical Industry

基　　金：贵州省科技计划项目(黔科合支撑[2022]一般279);绿色农药与农业生物工程教育部重点实验室(贵州大学)开放基金(2020GDGP0105)。

摘　　要：利用偏最小二乘法(PLS)对不同类型的甲基苯丙胺样品进行数据建模分析。1015份甲基苯丙胺样品(612份冰毒和403份麻古)由近红外光谱仪(NR-17)获得光谱数据,并通过萨维塔基-戈莱法进行预处理。然后根据预处理后的光谱数据结合PLS建立回归模型,并通过评价参数(R^(2)、RMSECV、RMSEP和误差)比较回归模型的预测能力。结果表明:冰毒的PLS回归模型的评价参数为RMSECV=1.80(R^(2)=0.9962),RMSEV=1.83,RMSEP=1.79;麻古的PLS回归模型评价参数为RMSECV=0.80(R^(2)=0.9864),RMSEV=0.72,RMSEP=0.68。冰毒及麻古的参考理化值和定量模型预测值之间的相对误差(RE)均在±10%之间,且两个模型的重复性和再现性的相对标准偏差RSD均小于4%。因此,内部交叉验证结果和方法学考察表明所建立的两个模型(冰毒和麻古)具有误差范围小且稳定性良好等优点,可用于在犯罪现场调查中对类似甲基苯丙胺样品进行实时分析,帮助警方及时判断毒品的种类和含量。Data modelling analysis of different types of methamphetamine samples was carried out using partial least squares(PLS).1015 methamphetamine samples(612 methamphetamine crystal and 403 methamphetamine tablet samples)had their spectral data obtained by a near infrared spectrometer(NR-17)and preprocessed by the Savitaki-Golay method.A regression model was then developed based on the preprocessed spectral data combined with PLS,and the predictive ability of the regression model was compared by evaluating the parameters(R^(2),RMSECV,RMSEP and error).The results showed that the evaluation parameters of the PLS regression model for methamphetamine crystal were RMSECV=1.80(R^(2)=0.9962),RMSEV=1.83,RMSEP=1.79,and for methamphetamine tablet,RMSECV=0.80(R^(2)=0.9864),RMSEV=0.72,RMSEP=0.68.The relative errors between the reference physicochemical values and the quantitative model predictions for both methamphetamine crystal and tablet were in the range of±10%,and the relative standard deviations of the repeatability and reproducibility of the two models were less than 4%RSD.Thus,the results of the internal cross-validation and the methodological examination showed that the two models developed have the advantages of a small margin of error and good stability.It can be used for real-time analysis of methamphetamine like samples in crime scene investigations to help the police determine the type and amount of drugs in a timely manner.

关 键 词：近红外光谱 甲基苯丙胺 偏最小二乘法 定量分析 模型建立 

分 类 号：O657.3[理学—分析化学] D918.93[理学—化学]