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用于高性能常压离子迁移谱的识别效率

Identity Efficiency for High-Performance Ambient Pressure Ion Mobility Spectrometry.

作者信息

Kanu A Bakarr, Leal Anne

机构信息

Department of Chemistry, Winston-Salem State University , Winston-Salem, North Carolina 27110, United States.

出版信息

Anal Chem. 2016 Mar 15;88(6):3058-66. doi: 10.1021/acs.analchem.5b03765. Epub 2016 Feb 26.

Abstract

A new approach to reduce the false-positive responses commonly encountered in the field when drugs and explosives are detected is reported for an electrospray ionization high-performance ion mobility spectrometry (ESI-HPIMS). In this article, we report on the combination of reduced mobility and the width-at-half-height of a peak to give a new parameter called conditional reduced mobility (CRM). It was found that the CRM was capable of differentiating between real drugs peaks from that of a false-positive peak and may help to reduce false-positive rates. This effect was demonstrated using 11 drugs (amphetamine, cannabidiol, cocaine, codeine, heroine, methamphetamine, morphine, phentermine, L-phenylepherine, proglitazone, and rosiglitazone) and seven interferences chosen from off-the-shelf products. This report determined and compared CRM, resolving power (R(m)), and diffusion-limited conditional theoretical reduced mobility (DLCTRM) for ESI-HPIMS. The most important parameters for determining CRM are reduced mobility and width-at-half-height of a peak. There is a specific optimum voltage, gate pulse width, resolving power, and now CRM for each ion. DLCTRM indicate the optimum reduced mobility that is not normally possible under field conditions. CRM predicts the condition at which a target compound can be differentiated from a false-positive response. This was possible because different ions exhibits different drifting patterns and hence a different peak broadening phenomenon inside an ion mobility tube. Reduced mobility for target compounds reported were reproducible to within 2% for ESI-HPIMS. The estimated resolving power for the ESI-HPIMS used in this study was 61 ± 0.22. Conditional reduced mobility introduced in this paper show differences between target compounds and false-positive peaks as high as 74%, as was the case for cannabidiol and interference #1 at 70 μs gate pulse width.

摘要

本文报道了一种用于电喷雾电离高效离子迁移谱(ESI-HPIMS)的新方法,该方法可减少在现场检测毒品和爆炸物时常见的假阳性响应。在本文中,我们报告了结合迁移率降低和峰高半宽得到一个名为条件折合迁移率(CRM)的新参数。研究发现,CRM能够区分真实毒品峰和假阳性峰,可能有助于降低假阳性率。使用11种毒品(苯丙胺、大麻二酚、可卡因、可待因、海洛因、甲基苯丙胺、吗啡、芬特明、L-去氧肾上腺素、吡格列酮和罗格列酮)以及从市售产品中选取的7种干扰物证明了这种效果。本报告测定并比较了ESI-HPIMS的CRM、分辨率(R(m))和扩散限制条件理论折合迁移率(DLCTRM)。确定CRM的最重要参数是折合迁移率和峰高半宽。每种离子都有特定的最佳电压、门脉冲宽度、分辨率以及现在的CRM。DLCTRM表示在现场条件下通常无法达到的最佳折合迁移率。CRM预测目标化合物可与假阳性响应区分开的条件。这是可能的,因为不同离子在离子迁移管内表现出不同的漂移模式,因此有不同的峰展宽现象。ESI-HPIMS报道的目标化合物折合迁移率的重现性在2%以内。本研究中使用的ESI-HPIMS的估计分辨率为61±0.22。本文引入的条件折合迁移率显示目标化合物与假阳性峰之间的差异高达74%,如在70μs门脉冲宽度下大麻二酚和干扰物#1的情况。

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