UHPLC-MS/MS分析头发中依托咪酯和甲咪酯对映体的手性:在真实头发样品中的应用及对映体分数评估。

IF 2.3 3区 医学 Q1 MEDICINE, LEGAL
Zhen Zhang, Xin Wang, Meiting Lin, Hui Yan, Yan Shi, Zheng Qiao, Miao Yu, Ping Xiang
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引用次数: 0

摘要

r -依托咪酯和甲咪酯在临床上分别作为人类和兽药的镇静剂和催眠药,由于其不断增加的非医疗用途,最近引起了人们的注意。由于其令人陶醉的作用和上瘾的潜力,这些化合物的非法滥用在过去几年中激增。了解头发中依托咪酯和美咪酯的对映体比例可以帮助确定滥用模式和药物来源。本文建立了一种手性分离和定量方法来分析人头发中的依托咪酯和美托咪酯对映体。用乙腈低温研磨提取约20mg毛发,采用超高效液相色谱-串联质谱(UHPLC-MS/MS)分析。色谱分离采用Lux 3 μm纤维素-3手性柱(150 mm × 4.6 mm),梯度洗脱。所有化合物的线性范围为10 ~ 1000 pg/mg。将验证的方法应用于98个真实头发样本。用对映体分数(EF)定量测定依托咪酯和甲咪酯的对映体比例,定义为[R-对映体]/[R + s -对映体]。观察到的EF值为依托咪酯的0.40-1.00和美咪酯的0.49-1.00,表明不同样品的立体化学成分不同。本研究首次报道了用UHPLC-MS/MS对人头发中的依托咪酯和甲咪酯对映体进行手性分离和定量。虽然只有r -依托咪酯被临床批准,但法医毛发分析在8个样品中发现s -依托咪酯与r -对映异构体共存,表明非医疗暴露于不完全精制或外消旋混合物。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Chiral analysis of etomidate and metomidate enantiomers in hair by UHPLC-MS/MS: application to authentic human hair samples and enantiomeric fraction assessment.

R-etomidate and metomidate, employed clinically as sedatives and hypnotics in human and veterinary medicine, respectively, have recently gained attention due to their escalating nonmedical use. Owing to their intoxicating effects and addictive potential, illicit abuse of these compounds has surged over the past few years. Understanding the enantiomer ratio of etomidate and metomidate in hair can help identify patterns of abuse and the source of the drugs. Here, a chiral separation and quantification method was developed to analyze etomidate and metomidate enantiomers in human hair. Approximately 20 mg of hair was extracted with acetonitrile by cryogenic grinding and then analyzed by ultra-high-performance liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS). Chromatographic separation was achieved using a Lux 3 μm cellulose-3 chiral column (150 mm × 4.6 mm) under gradient elution. The linearity ranged from 10 to 1000 pg/mg for all compounds. The validated method was applied to 98 authentic hair samples. The enantiomeric ratios of etomidate and metomidate were quantified using the enantiomeric fraction (EF), defined as [R-enantiomer]/[R + S-enantiomers]. The observed EF values spanned 0.40-1.00 for etomidate and 0.49-1.00 for metomidate, indicating variable stereochemical compositions across samples. This study is the first to report the chiral separation and quantification of etomidate and metomidate enantiomers in human hair using UHPLC-MS/MS. Although only R-etomidate is clinically approved, forensic hair analysis identified S-etomidate coexisting with R-enantiomers in 8 samples, indicating nonmedical exposure to incompletely refined or racemic mixtures.

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来源期刊
CiteScore
5.80
自引率
9.50%
发文量
165
审稿时长
1 months
期刊介绍: The International Journal of Legal Medicine aims to improve the scientific resources used in the elucidation of crime and related forensic applications at a high level of evidential proof. The journal offers review articles tracing development in specific areas, with up-to-date analysis; original articles discussing significant recent research results; case reports describing interesting and exceptional examples; population data; letters to the editors; and technical notes, which appear in a section originally created for rapid publication of data in the dynamic field of DNA analysis.
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