High-throughput screening of fentanyl analogs.

IF 5.6 1区化学 Q1 CHEMISTRY, ANALYTICAL Talanta Pub Date : 2025-02-01 Epub Date: 2024-11-12 DOI:10.1016/j.talanta.2024.127191

Samuel A Miller, Andrew R Forero, Lilian Valadares Tose, Jordan E Krechmer, Felician Muntean, Francisco Fernandez-Lima

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引用次数: 0

Abstract

This study presents an analytical approach coupling novel ambient ionization sources with trapped ion mobility spectrometry (TIMS) and tandem mass spectrometry (MS/MS) for the rapid characterization of fentanyl analogs. Two ambient ionization sources were illustrated for minimal sample preparation and rapid analysis: electrospray ionization (nESI) and direct analysis in real time (DART). Fentanyl analogs can be separated using nESI-TIMS-MS/MS based on differences in their mobility and/or fragmentation pattern; reference mobility spectra are reported for 234 single standards. In contrast, DART-TIMS-MS/MS allowed for the characterization of 201 compounds due to differences in the protonation pattern and efficiency when compared to nESI. The TIMS high resolving power (R > 80) allowed baseline separation for most isomers and mobility trends were established for methylated and fluorinated isomers, with the more compact ortho-substituted analogs showing distinct separation from para- and meta-substituted species. This multi-dimensional strategy offers a comprehensive characterization of fentanyl analogs and other synthetic opioids with minimal sample preparation. This analysis shows significant potential for high-throughput screening (<5 min) and high sensitivity detection (

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高通量筛选芬太尼类似物。

本研究介绍了一种将新型环境电离源与捕获离子迁移谱（TIMS）和串联质谱（MS/MS）相结合的分析方法，用于快速鉴定芬太尼类似物。两种环境电离源：电喷雾电离（nESI）和实时直接分析（DART）可实现最少的样品制备和快速分析。使用 nESI-TIMS-MS/MS 可以根据芬太尼类似物迁移率和/或碎片模式的差异对其进行分离；报告了 234 种单一标准品的参考迁移率光谱。相比之下，DART-TIMS-MS/MS 与 nESI 相比，由于质子化模式和效率的差异，可对 201 种化合物进行表征。TIMS 的高分辨率（R > 80）允许对大多数异构体进行基线分离，并为甲基化和氟化异构体确定了迁移率趋势，更紧凑的正取代类似物与对位和偏取代物种显示出明显的分离。这种多维策略只需最少的样品制备就能对芬太尼类似物和其他合成阿片类药物进行全面表征。这种分析显示了高通量筛选的巨大潜力 (

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来源期刊

Talanta 化学-分析化学

CiteScore

12.30

自引率

4.90%

发文量

861

审稿时长

29 days

期刊介绍： Talanta provides a forum for the publication of original research papers, short communications, and critical reviews in all branches of pure and applied analytical chemistry. Papers are evaluated based on established guidelines, including the fundamental nature of the study, scientific novelty, substantial improvement or advantage over existing technology or methods, and demonstrated analytical applicability. Original research papers on fundamental studies, and on novel sensor and instrumentation developments, are encouraged. Novel or improved applications in areas such as clinical and biological chemistry, environmental analysis, geochemistry, materials science and engineering, and analytical platforms for omics development are welcome. Analytical performance of methods should be determined, including interference and matrix effects, and methods should be validated by comparison with a standard method, or analysis of a certified reference material. Simple spiking recoveries may not be sufficient. The developed method should especially comprise information on selectivity, sensitivity, detection limits, accuracy, and reliability. However, applying official validation or robustness studies to a routine method or technique does not necessarily constitute novelty. Proper statistical treatment of the data should be provided. Relevant literature should be cited, including related publications by the authors, and authors should discuss how their proposed methodology compares with previously reported methods.