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使用表面增强拉曼散射和随机森林分类法对非法阿片类药物样本中的掺假物进行痕量检测。

Trace Detection of Adulterants in Illicit Opioid Samples Using Surface-Enhanced Raman Scattering and Random Forest Classification.

作者信息

Martens Rebecca R, Gozdzialski Lea, Newman Ella, Gill Chris, Wallace Bruce, Hore Dennis K

机构信息

Department of Chemistry, University of Victoria, Victoria, British Columbia V8W 3V6, Canada.

Department of Chemistry, Vancouver Island University, Nanaimo, British Columbia V9R 5S5, Canada.

出版信息

Anal Chem. 2024 Jul 17;96(30):12277-85. doi: 10.1021/acs.analchem.4c01271.

Abstract

The detection of trace adulterants in opioid samples is an important aspect of drug checking, a harm reduction measure that is required as a result of the variability and unpredictability of the illicit drug supply. While many analytical methods are suitable for such analysis, community-based approaches require techniques that are amenable to point-of-care applications with minimal sample preparation and automated analysis. We demonstrate that surface-enhanced Raman spectroscopy (SERS), combined with a random forest classifier, is able to detect the presence of two common sedatives, bromazolam (0.32-36% w/w) and xylazine (0.15-15% w/w), found in street opioid samples collected as a part of a community drug checking service. The Raman predictions, benchmarked against mass spectrometry results, exhibited high specificity (88% for bromazolam, 96% for xylazine) and sensitivity (88% for bromazolam, 92% for xylazine) for the compounds of interest. We additionally provide evidence that this exceeds the performance of a more conventional approach using infrared spectral data acquired on the same samples. This demonstrates the feasibility of SERS for point-of-care analysis of challenging multicomponent samples containing trace adulterants.

摘要

检测阿片类药物样本中的微量掺杂物是药物检查的一个重要方面,药物检查作为一种减少伤害的措施,因非法药物供应的变异性和不可预测性而被需要。虽然许多分析方法适用于此类分析,但基于社区的方法需要适合即时检测应用的技术,样本制备最少且能自动分析。我们证明,表面增强拉曼光谱(SERS)与随机森林分类器相结合,能够检测出作为社区药物检查服务一部分收集的街头阿片类药物样本中存在的两种常见镇静剂,溴替唑仑(0.32 - 36% w/w)和赛拉嗪(0.15 - 15% w/w)。与质谱结果进行对比的拉曼预测对目标化合物表现出高特异性(溴替唑仑为88%,赛拉嗪为96%)和高灵敏度(溴替唑仑为88%,赛拉嗪为92%)。我们还提供证据表明,这超过了使用在相同样本上获取的红外光谱数据的更传统方法的性能。这证明了SERS用于对含有微量掺杂物的具有挑战性的多组分样本进行即时检测分析的可行性。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ed98/11296309/a17b3fc5288c/ac4c01271_0001.jpg

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