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通过核磁共振波谱分析和化学计量学对来自缅甸和阿富汗的鸦片样本进行地理分类。

Geographical classification of opium samples from Myanmar and Afghanistan by NMR profiling and chemometrics.

作者信息

Liu Cui-Mei, Jia Wei, Liu Xue-Yan, Du Yu, Hua Zhen-Dong

机构信息

Key Laboratory of Drug Monitoring and Control, Drug Intelligence and Forensic Center of Ministry of Public Security, Beijing, China.

School of pharmacy, China Pharmaceutical University, Nanjing, China.

出版信息

Drug Test Anal. 2024 Aug;16(8):879-885. doi: 10.1002/dta.3613. Epub 2023 Nov 23.

DOI:10.1002/dta.3613
PMID:37997567
Abstract

This study presents a new strategy to discriminate between opium samples obtained from different geographical regions. Nuclear magnetic resonance (NMR) profiling and chemometrics were applied to geographical classification of opium originating from Myanmar and Afghanistan, which are two major opium producing countries in the world. A total of 50 Myanmar and 46 Afghanistan authentic opium samples were analyzed by H-NMR, and the chemical profiles were characterized. Different sample preparation procedures, data processing methods, and chemometrics were compared to obtain the best classification effect. It was found that drying and the addition of buffer solutions were unnecessary for classification purposes; thus, the gum opium samples were extracted directly with CDOD, which shortened sample preparation time. A full discrimination between the two geographical origins was achieved by H-NMR profiling and orthogonal partial least squares discriminant analysis. All 30 opium samples were classified correctly by the developed orthogonal partial least squares discriminant analysis model. Compared with traditional chromatography and mass spectrometry profiling methods, the H-NMR profiling method was faster (with instrument analysis time of less than 3 min) and reproducible. This study provides new insights into the applying of NMR profiling and chemometrics to rapid drug profiling analysis.

摘要

本研究提出了一种区分来自不同地理区域鸦片样本的新策略。核磁共振(NMR)图谱分析和化学计量学被应用于对源自缅甸和阿富汗的鸦片进行地理分类,缅甸和阿富汗是世界上两个主要的鸦片生产国。通过氢核磁共振(H-NMR)对总共50个缅甸真品鸦片样本和46个阿富汗真品鸦片样本进行了分析,并对化学图谱进行了表征。比较了不同的样品制备程序、数据处理方法和化学计量学方法,以获得最佳分类效果。结果发现,出于分类目的,干燥和添加缓冲溶液并无必要;因此,直接用氘代氯仿(CDOD)萃取阿片膏样本,这缩短了样品制备时间。通过H-NMR图谱分析和正交偏最小二乘判别分析实现了对两个地理来源的完全区分。所建立的正交偏最小二乘判别分析模型对所有30个鸦片样本都进行了正确分类。与传统的色谱和质谱图谱分析方法相比,H-NMR图谱分析方法速度更快(仪器分析时间不到3分钟)且具有可重复性。本研究为将NMR图谱分析和化学计量学应用于快速毒品图谱分析提供了新的见解。

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