近红外光谱技术应用于摇头丸中MDMA、MA无损定量分析的研究

发布时间：2018-06-02 15:26

本文选题：近红外漫反射光谱 + 偏最小二乘算法　；参考：《分析测试学报》2007年05期

【摘要】：提出了用近红外漫反射光谱快速无损测定摇头丸中亚甲二氧基甲基苯丙胺(MDMA)、甲基苯丙胺(MA)含量的新方法。收集含MDMA摇头丸56份和含MA摇头丸58份,采用GC-MS确定其中MDMA和MA质量分数分别为0.64%~53.83%,0.37%~5.81%。在12000~4000 cm-1扫描样品,以交叉验证误差均方根(RMSECV)为指标,通过筛选,对各组分确定了用于建模的最优近红外波段和光谱预处理方法,采用偏最小二乘算法建立了近红外光谱与这2组分GC-MS分析值之间的校正模型,并以此分别预测21个样本。δ代表预测样本NIR值/GC-MS值,MDMA和MA在裸片和塑料包装中δ值的均值为99%、101%、100%、101%,RSD分别为7.33%、20.3%、4.52%、12.3%。该方法可对摇头丸裸片中MDMA和MA进行快速无损分析,结果可靠,为刑事案件中毒品成分的测定提供了一种新的分析手段。
[Abstract]:A new method for rapid and nondestructive determination of MDMA (methamphetamine) in ecstasy by near infrared diffuse reflectance spectroscopy (NIR) was developed. 56 samples of ecstasy containing MDMA and 58 samples of ecstasy containing MA were collected. The mass fraction of MDMA and MA were determined by GC-MS to be 0.64 and 53.83 respectively. The optimal near-infrared band and spectral pretreatment methods for modeling were determined by screening the root-mean-square error (RMSECV) of cross-validation error at 12000 ~ 4000 cm-1 scanning sample. The correction model between the near infrared spectrum and the GC-MS analysis value of the two components is established by using partial least square algorithm. The mean value of 未 in bare tablets and plastic packages was 990.101 and the relative standard deviation was 7.3320.34.52 and 12.3respectively. This method can be used for rapid and nondestructive analysis of MDMA and MA in ecstasy bare tablets. The results are reliable and provide a new analytical method for the determination of drug components in criminal cases.
【作者单位】：江苏警官学院技术系中国药科大学分析测试中心
【基金】：江苏省教育厅“青蓝工程”资助项目
【分类号】：D919.2

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