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基于摇头丸片剂数据的药物情报。I. 有机杂质剖析。

Drug intelligence based on MDMA tablets data I. Organic impurities profiling.

作者信息

Weyermann Céline, Marquis Raymond, Delaporte Céline, Esseiva Pierre, Lock Eric, Aalberg Laura, Bozenko Joseph S, Dieckmann Susanne, Dujourdy Laurence, Zrcek Frantisek

机构信息

Institut de Police Scientifique, University of Lausanne, Bâtiment de Chimie, CH-1015, Lausanne-Dorigny, Switzerland.

出版信息

Forensic Sci Int. 2008 May 2;177(1):11-6. doi: 10.1016/j.forsciint.2007.10.001. Epub 2007 Nov 19.

DOI:10.1016/j.forsciint.2007.10.001
PMID:18024038
Abstract

The main objectives of the European project "Collaborative Harmonization of Methods for Profiling of Amphetamine Type Stimulants" (CHAMP) funded by the sixth framework programme of the European Commission, included the harmonization of MDMA profiling methods and the creation of a common database in a drug intelligence perspective. In the preliminary stages of this project, the participating laboratories analysed the physical characteristics, the chemical composition and the organic impurities of MDMA tablets, using the previously harmonized methods. The aim of the present work was to apply statistical treatments to the recorded data in order to evaluate their potential in the fight against drug trafficking. Comparable working procedures were applied on the different types of data. The first part of this article deals with organic impurities data, while the second part focuses on the potential of the physical characteristics. Organic impurities data were recorded by a harmonized Gas Chromatography/Mass Spectrometry (GC/MS) method previously developed. Statistical analysis provided a selection of pertinent variables among the 46 organic impurities identified in the chromatograms. Correlation coefficients were used to yield separation between populations of samples coming from the same synthesis batch and samples coming from different batches. It was shown that correlation measurements based on Pearson and cosine functions applied to the data pre-treated by normalisation to the sum of peak responses followed by the square root provided an excellent discrimination between the two populations. The statistical methods applied to organic impurities profiles proved to be excellent techniques to differentiate samples from different batches and to highlight operational links between samples.

摘要

由欧盟委员会第六框架计划资助的欧洲项目“苯丙胺类兴奋剂分析方法的协同统一”(CHAMP)的主要目标包括统一摇头丸分析方法,并从毒品情报角度创建一个通用数据库。在该项目的初步阶段,参与实验室使用先前统一的方法分析了摇头丸片剂的物理特性、化学成分和有机杂质。本研究的目的是对记录的数据进行统计处理,以评估其在打击毒品贩运中的潜力。对不同类型的数据应用了可比的工作程序。本文第一部分涉及有机杂质数据,而第二部分则关注物理特性的潜力。有机杂质数据通过先前开发的统一气相色谱/质谱(GC/MS)方法记录。统计分析从色谱图中识别出的46种有机杂质中筛选出了相关变量。使用相关系数来区分来自同一合成批次的样品群体和来自不同批次的样品群体。结果表明,基于皮尔逊函数和余弦函数的相关性测量应用于先将峰响应之和归一化再求平方根预处理后的数据,能够很好地区分这两个群体。应用于有机杂质谱的统计方法被证明是区分不同批次样品以及突出样品之间操作联系的优秀技术。

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