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Forensic implications of ethyl glucuronide and ethyl sulfate pharmacokinetics in Japanese adults: the influence of dose, genetic polymorphisms, and habitual alcohol consumption. 日本成人葡萄糖醛酸乙酯和硫酸乙酯药代动力学的法医学意义:剂量、遗传多态性和习惯性饮酒的影响
IF 3 4区 医学 Q2 TOXICOLOGY Pub Date : 2026-01-01 Epub Date: 2025-11-27 DOI: 10.1007/s11419-025-00747-y
Yuko Suefusa-Shimogori, Hirokazu Wakuda, Shinichi Nureki, Megumi Kai, Daisuke Sakamoto, Nao Mori, Tatsuji Fujisawa, Masaharu Narihara, Naoto Uemura

Purpose: Ethyl glucuronide (EtG) and ethyl sulfate (EtS) are direct metabolites of ethanol (EtOH) and sensitive biomarkers of alcohol consumption. However, despite extensive studies in Western populations, data on Japanese individuals are limited. This study characterized the pharmacokinetics of EtG and EtS in Japanese adults and evaluated the influence of dose, genetic polymorphisms, and habitual alcohol use.

Methods: Twenty-eight healthy Japanese adults received either 1.0 or 0.2 g/kg of pure EtOH (high or low dose). Whole blood and urine samples were collected for 24 h, and EtG and EtS were quantified using validated liquid chromatography-tandem mass spectrometry. Pharmacokinetic parameters were analyzed. The urinary excretion and recovery of EtG and EtS were estimated. Associations between genetic polymorphisms in alcohol-metabolizing and conjugation-related enzymes and Alcohol Use Disorders Identification Test (AUDIT) scores were also evaluated.

Results: EtG and EtS persisted longer than EtOH in both blood and urine. Both metabolites were excreted in the urine in a dose-dependent manner. Individuals carrying ALDH2*1/*2 showed a significantly higher urinary EtG formation rate than those carrying ALDH2*1/*1 (wild type). The AUDIT score showed a modest positive association with the urinary formation rate of EtS but not with EtG. The 24 h urine from high-dose participants exceeded international cutoffs, whereas that from low-dose participants was below the quantification limits.

Conclusions: EtG and EtS showed sustained detectability, and their urinary excretion was dose-dependent, indicating their utility as biomarkers of recent alcohol intake. These findings support their potential forensic applications of EtG and EtS in Japan.

Clinical trial registration: Japan Registry of Clinical Trials (jRCT), jRCT1070240083 (registered 2024-12-10).

目的:葡萄糖醛酸乙酯(EtG)和硫酸乙酯(EtS)是乙醇(EtOH)的直接代谢物,也是酒精消耗的敏感生物标志物。然而,尽管在西方人群中进行了广泛的研究,但日本人的数据有限。本研究描述了日本成人EtG和EtS的药代动力学特征,并评估了剂量、遗传多态性和习惯性饮酒的影响。方法:28名健康的日本成年人分别接受1.0或0.2 g/kg的纯EtOH(高剂量或低剂量)。采集全血和尿样24 h,采用高效液相色谱-串联质谱法定量EtG和EtS。分析药动学参数。评估尿中EtG和EtS的排泄和恢复情况。还评估了酒精代谢和偶联相关酶的遗传多态性与酒精使用障碍鉴定测试(AUDIT)分数之间的关系。结果:EtG和EtS在血液和尿液中的持续时间长于ettoh。两种代谢物都以剂量依赖的方式从尿液中排出。携带ALDH2*1/*2的个体尿EtG形成率明显高于携带ALDH2*1/*1的个体(野生型)。AUDIT评分显示与EtS尿形成率有适度正相关,但与EtG无显著正相关。高剂量参与者的24小时尿液超过国际临界值,而低剂量参与者的24小时尿液低于定量限值。结论:EtG和EtS具有持续的可检测性,它们的尿排泄具有剂量依赖性,表明它们作为近期酒精摄入的生物标志物的效用。这些发现支持了EtG和EtS在日本的潜在法医应用。临床试验注册:日本临床试验注册中心(jRCT), jRCT1070240083(注册号2024-12-10)。
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引用次数: 0
An unusual way of acute Pyrazolam poisoning in consumer of commercially approved benzodiazepines. 商业批准的苯二氮卓类药物消费者急性吡唑仑中毒的不寻常方式。
IF 3 4区 医学 Q2 TOXICOLOGY Pub Date : 2026-01-01 Epub Date: 2025-12-08 DOI: 10.1007/s11419-025-00750-3
Romain Magny, Arezki Khaled Boukerma, Amine Mihoubi, Laurence Labat, Pascal Houzé
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引用次数: 0
Identification of toxic plants from poisonous samples using massively parallel sequencing. 利用大规模平行测序技术从有毒样品中鉴定有毒植物。
IF 3 4区 医学 Q2 TOXICOLOGY Pub Date : 2026-01-01 Epub Date: 2025-12-08 DOI: 10.1007/s11419-025-00748-x
Hitomi S Kikkawa, Kouichiro Tsuge

Purpose: Some toxic plants have strong morphological similarities with edible wild plants. Therefore, poisoning often occurs due to accidental ingestion. It is important to identify poisonous plants in edible plant mixtures, even if the samples have been digested. In the present study, we developed a method for genus and species identification in mixed samples using massive parallel sequencing (MPS).

Methods: Veratrum oxysepalum and Colchicum autumnale are the most common causative plants of such accidents and their morphological features are similar to those of the edible Hosta sieboldiana. In this study, we used V. oxysepalum and C. autumnale as the target poisonous plant species. We developed and optimized an MPS analysis method for trnL and rbcL regions that are commonly used in plant species identification. Initially, DNA from poisonous plants (V. oxysepalum and C. autumnale) and edible plants (H. sieboldiana) were mixed in various ratios and analyzed using MPS. Next, we prepared cooked materials and simulated gastric contents from V. oxysepalum, C. autumnale, and H. sieboldiana and analyzed them using MPS.

Results: We detected both poisonous and edible plant DNA when mixed in equal amounts. Poisonous plants were also detected in cooked or simulated gastric acid content. These results suggest that our method can be used to identify the genera or species of plants present in cooked materials and simulated gastric contents.

Conclusions: These results indicate that MPS techniques are useful for the forensic analysis of plant materials.

目的:某些有毒植物与野生可食植物有很强的形态相似性。因此,经常因误食而发生中毒。在可食用植物混合物中识别有毒植物是很重要的,即使样品已被消化。在本研究中,我们建立了一种利用大规模平行测序(MPS)对混合样品进行属和种鉴定的方法。方法:乌鳢和秋水仙是此类事故最常见的致病植物,其形态特征与食用玉莲相似。在本研究中,我们以紫花苜蓿和秋紫花苜蓿为目标有毒植物。建立并优化了植物物种鉴定中常用的trnL和rbcL区域的MPS分析方法。首先,将有毒植物(V. oxysepalum和C. autumn)和可食用植物(H. sieboldiana)的DNA以不同比例混合,并使用MPS进行分析。接下来,我们准备了煮熟的材料,模拟了V. oxysepalum、C. autumn和H. sieboldiana的胃内容物,并使用MPS对它们进行了分析。结果:在等量混合的情况下,我们同时检测出有毒和可食用的植物DNA。在煮熟或模拟胃酸中也检测到有毒植物。这些结果表明,我们的方法可以用于鉴定存在于煮熟的材料和模拟胃内容物中的植物的属或种。结论:MPS技术可用于植物材料的法医分析。
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引用次数: 0
Application of the transient matrix effect for determination of anabolic-androgenic steroids in biological samples by GC-MS/MS. 瞬态基质效应在GC-MS/MS测定生物样品中合成代谢雄激素含量中的应用。
IF 3 4区 医学 Q2 TOXICOLOGY Pub Date : 2026-01-01 Epub Date: 2025-06-26 DOI: 10.1007/s11419-025-00731-6
Michal P Dybowski, Krystian Siwek

Purpose: Anabolic-androgenic steroids (AAS) enhance athletic performance, giving athletes an unfair advantage and disrupting fair competition. Banned in sports and listed by World Anti-Doping Agency, they require precise detection. This study aimed to develop a method using the transient matrix effect to improve AAS identification in biological samples.

Methods: Gas chromatography-tandem mass spectrometry (GC-MS/MS) method for determination of AAS samples was developed and validated. Biological samples were prepared using the QuEChERS technique.

Results: The optimised and validated method enhances AAS signals using high-boiling protectants. It ensures good linearity, low detection limits, and reliable precision. Optimal QuEChERS extraction and multiple reaction monitoring transitions in GC-MS/MS were evaluated, confirming applicability with blood plasma samples. The addition of a protectant to the analysed sample results in several notable effects. High-boiling protectants, such as polyethylene glycol (PEG-400), tetradecanoic acid (C14-COOH), n-tetradecylalcohol (C14-OH), and n-tetradecylamine (C14-NH₂), significantly enhance AAS's signal in blood plasma. This enhancement, however, is accompanied by a transient matrix effect induced by the protectants. PEG-400 produced the most substantial signal increase, with the response for nandrolone rising by as much as 912%.

Conclusions: The results demonstrate the potential offered by the utilisation of PEG-400 as a protectant to generate a transient matrix effect. The outcome of this process is an increased analytical signal from AAS in blood plasma, enabling their identification even at trace concentrations. The methodology developed and applied during the study can be used to reduce the detection limit of steroids and thus improve antidoping measures in sport.

目的:合成代谢雄激素类固醇(AAS)提高运动成绩,给运动员不公平的优势,扰乱公平竞争。它们在体育运动中被禁止,并被世界反兴奋剂机构列入名单,需要精确检测。本研究旨在建立一种利用瞬态基质效应提高生物样品原子吸收光谱鉴别的方法。方法:建立气相色谱-串联质谱(GC-MS/MS)测定AAS样品的方法并进行验证。采用QuEChERS技术制备生物样品。结果:经优化验证的方法利用高沸点保护剂增强了原子吸收光谱信号。线性度好,检出限低,精度可靠。评价了最佳QuEChERS提取和GC-MS/MS多反应监测转换,确认了其对血浆样品的适用性。在分析样品中加入保护剂会产生几个显著的效果。高沸点保护剂,如聚乙二醇(PEG-400)、十四烷酸(C14-COOH)、正十四烷基醇(C14-OH)和正十四乙胺(C14-NH₂),可显著增强血浆中AAS的信号。然而,这种增强伴随着保护剂诱导的瞬态基质效应。PEG-400产生了最显著的信号增加,对诺龙的反应增加了912%。结论:结果表明,利用PEG-400作为保护剂可以产生瞬时基质效应。这一过程的结果是血浆中原子吸收光谱的分析信号增加,即使在微量浓度下也能进行识别。研究过程中开发和应用的方法可用于降低类固醇的检测限,从而改善体育运动中的反兴奋剂措施。
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引用次数: 0
Innovative applications of nanotechnology in enhancing forensic science investigations. 创新应用纳米科技以加强法证科学调查。
IF 3 4区 医学 Q2 TOXICOLOGY Pub Date : 2026-01-01 Epub Date: 2025-08-04 DOI: 10.1007/s11419-025-00734-3
Asmita Podder, Agnishwar Girigoswami, Koyeli Girigoswami

Purpose: Forensics, along with the implementation of techniques from nanosciences, has brought about a change in the domain of forensic science and criminal investigation. It has brought about a positive change in the criminal investigation framework by making investigation more efficient and to-the-point.

Methods: This paper reviews the nanotechnology-based techniques that are introduced in forensic science to unravel the mysteries behind crimes as it highlights various kinds of nano-sized particles, nanodevices along with their applications that the forensic experts use to analyze the evidences collected from the crime scenes. Google scholar, PubMed, and Scopus search engines are used to select the related articles to write this review paper.

Results: DNA analysis, fingerprint detection, drug detection, explosive analysis, blood stain analysis, time since death estimation, and analysis of counterfeit documents are some of the sectors in which nanotechnology has made notable contributions.

Conclusion: As the paper unfolds, it makes sure that the readers get the taste of both the worlds, and that it helps them grasp the concept and idea behind the techniques used to make a change across the globe.

目的:法医学随着纳米科学技术的应用,给法医学和刑事调查领域带来了变化。它使刑事侦查框架发生了积极的变化,使侦查更加高效和切中要害。方法:本文回顾了在法医科学中引入的以纳米技术为基础的技术,以解开犯罪背后的奥秘,因为它强调了各种纳米尺寸的颗粒,纳米设备及其应用,法医专家使用它们来分析从犯罪现场收集的证据。使用谷歌scholar、PubMed和Scopus搜索引擎,选择相关文章撰写本综述论文。结果:DNA分析、指纹检测、药物检测、爆炸物分析、血迹分析、死亡时间估计和伪造文件分析是纳米技术做出显著贡献的一些领域。结论:随着论文的展开,它确保读者得到两个世界的味道,并帮助他们掌握用于在全球范围内进行改变的技术背后的概念和想法。
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引用次数: 0
Cyclization of γ-hydroxybutyric acid (GHBA) as a strategy to enhance its signal in gas chromatography analysis. γ-羟基丁酸(GHBA)环化策略在气相色谱分析中增强其信号。
IF 3 4区 医学 Q2 TOXICOLOGY Pub Date : 2026-01-01 Epub Date: 2025-09-13 DOI: 10.1007/s11419-025-00738-z
Rafal Typek, Michal P Dybowski, Andrzej L Dawidowicz

Purpose: The aim of this work is to investigate whether precyclization of γ-hydroxybutyric acid (GABA) allows for increasing its gas chromatography (GC) signal, and if so, is it a more effective way to increase the signal of this compound than its silylation or methylation?

Methods: Gas chromatography-mass spectrometry (GC-MS) and GC with flame ionization detection (GC-FID) response to GHBA before and after silylation, methylation, and cyclization were compared. The impact of injector temperature on GHBA and γ-butyrolactone (GBL) signals was assessed. Fourier transformed infra-red spectroscopy was used to examine the formation of macromolecular derivatives in the injector.

Results: GHBA shows a lower GC signal than GBL due to partial polycondensation into a non-volatile polyester in the injector. Validation data were established for GHBA after each derivatization. Silylation and methylation reduced the limit of detection (LOD) by approximately 1.5- and 1.3-fold, respectively, whereas pre-cyclization led to at least a 4.6-fold decrease in LOD.

Conclusions: The present study elucidates the reasons behind the low GHBA signal observed in GC analysis and, consequently, supports the recommendation to perform pre-cyclization of this compound prior to analysis. Furthermore, the findings demonstrate that although signal enhancement of GHBA can be achieved through silylation or methylation, the most substantial increase is observed following its cyclization during sample preparation. The proposed in this paper cyclization procedure is both remarkably simple and highly effective, allowing for reliable quantification of this hydroxycarboxylic acid in a variety of matrices, including plasma, urine, wine, beer, and orange juice.

目的:研究γ-羟基丁酸(GABA)的预环化是否可以增加其气相色谱(GC)信号,如果是,它是否比硅基化或甲基化更有效地增加该化合物的信号?方法:采用气相色谱-质谱法(GC- ms)和气相色谱-火焰电离检测法(GC- fid)对GHBA硅基化、甲基化和环化前后的反应进行比较。研究了注射温度对GHBA和γ-丁内酯(GBL)信号的影响。采用傅里叶变换红外光谱法对进样器中大分子衍生物的形成进行了研究。结果:由于GHBA在进样器中部分缩聚成不挥发的聚酯,GHBA的GC信号比GBL低。每次衍生化后建立GHBA的验证数据。硅基化和甲基化分别将检测限(LOD)降低了约1.5倍和1.3倍,而预环化导致LOD至少降低了4.6倍。结论:本研究阐明了GC分析中观察到的低GHBA信号背后的原因,因此支持在分析之前对该化合物进行预环化的建议。此外,研究结果表明,尽管GHBA的信号增强可以通过硅基化或甲基化来实现,但在样品制备过程中,其环化后的信号增强最为明显。本文提出的环化过程非常简单和高效,可以在各种基质中可靠地定量这种羟基羧酸,包括血浆、尿液、葡萄酒、啤酒和橙汁。
{"title":"Cyclization of γ-hydroxybutyric acid (GHBA) as a strategy to enhance its signal in gas chromatography analysis.","authors":"Rafal Typek, Michal P Dybowski, Andrzej L Dawidowicz","doi":"10.1007/s11419-025-00738-z","DOIUrl":"10.1007/s11419-025-00738-z","url":null,"abstract":"<p><strong>Purpose: </strong>The aim of this work is to investigate whether precyclization of γ-hydroxybutyric acid (GABA) allows for increasing its gas chromatography (GC) signal, and if so, is it a more effective way to increase the signal of this compound than its silylation or methylation?</p><p><strong>Methods: </strong>Gas chromatography-mass spectrometry (GC-MS) and GC with flame ionization detection (GC-FID) response to GHBA before and after silylation, methylation, and cyclization were compared. The impact of injector temperature on GHBA and γ-butyrolactone (GBL) signals was assessed. Fourier transformed infra-red spectroscopy was used to examine the formation of macromolecular derivatives in the injector.</p><p><strong>Results: </strong>GHBA shows a lower GC signal than GBL due to partial polycondensation into a non-volatile polyester in the injector. Validation data were established for GHBA after each derivatization. Silylation and methylation reduced the limit of detection (LOD) by approximately 1.5- and 1.3-fold, respectively, whereas pre-cyclization led to at least a 4.6-fold decrease in LOD.</p><p><strong>Conclusions: </strong>The present study elucidates the reasons behind the low GHBA signal observed in GC analysis and, consequently, supports the recommendation to perform pre-cyclization of this compound prior to analysis. Furthermore, the findings demonstrate that although signal enhancement of GHBA can be achieved through silylation or methylation, the most substantial increase is observed following its cyclization during sample preparation. The proposed in this paper cyclization procedure is both remarkably simple and highly effective, allowing for reliable quantification of this hydroxycarboxylic acid in a variety of matrices, including plasma, urine, wine, beer, and orange juice.</p>","PeriodicalId":12329,"journal":{"name":"Forensic Toxicology","volume":" ","pages":"107-119"},"PeriodicalIF":3.0,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12858631/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145052625","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Deadly confusion of novel psychoactive substances: fatal outcome of ADB-BUTINACA mislabeled as 3',4'-methylenedioxy-α-pyrrolidinohexiophenone. 新型精神活性物质的致命混淆:ADB-BUTINACA被错误标记为3',4'-亚甲二氧基-α-吡咯烷二己烯酮的致命后果。
IF 3 4区 医学 Q2 TOXICOLOGY Pub Date : 2026-01-01 Epub Date: 2025-11-27 DOI: 10.1007/s11419-025-00746-z
Annette Zschiesche, Nadine Theofel, Stefan Braukmüller, Edwin Ehrlich, Martin Jasyk, Maximilian Methling, Michael Tsokos, Stefan Scholtis, Laura M Huppertz, Volker Auwärter

Purpose: A powder found at a fatality scene, labeled as the synthetic cathinone 3',4'-methylenedioxy-α-pyrrolidinohexiophenone (MDPHP) and most likely smoked using a crack pipe, was analyzed. The powder was identified as very potent synthetic cannabinoid ADB-BUTINACA/ADB-BINACA with a high purity (> 98%). This case highlights the risks associated with mislabeled novel psychoactive substances (NPS), particularly those purchased online.

Methods: The powder was analyzed using liquid chromatography-high resolution mass spectrometry (LC-HRMS), liquid chromatography-tandem mass spectrometry (LC-MS/MS), and nuclear magnetic resonance (NMR) spectroscopy. Comprehensive toxicological screening, including NPS, was performed in urine and blood. ADB-BUTINACA was quantified using a standard addition method on various post-mortem matrices: femoral and heart blood, urine, stomach content, bile fluid and liver tissue. Scalp hair was analyzed via external calibration to assess potential long-term exposure.

Results: ADB-BUTINACA concentrations were 34.5 ng/mL in femoral blood, 101 ng/mL in heart blood and 3.1 ng/mL in urine. Traces of MDMB-BUTINACA were found in the powder and hair, but not in other biological matrices. ADB-BUTINACA metabolites were detected in all biological matrices. MDPHP was found at low concentrations (< 2 ng/mL) in blood and urine but not in the powder, indicating prior cathinone use. A toxicological significance score (TSS) of 3 was assigned for this monointoxication with ADB-BUTINACA.

Conclusions: This case demonstrates fatal poisoning due to extremely high ADB-BUTINACA concentrations in post-mortem blood samples, emphasizing the severe risks associated with mislabeled substances. It underscores the importance of drug checking services to prevent poisonings and overdoses caused by highly potent NPS.

目的:分析了在死亡现场发现的一种粉末,标记为合成卡西酮3',4'-亚甲二氧基-α-吡咯烷二己烯酮(MDPHP),很可能是用裂缝管吸食的。该粉末经鉴定为强效合成大麻素ADB-BUTINACA/ADB-BINACA,纯度高(> 98%)。该案例突出了与贴错标签的新型精神活性物质(NPS)相关的风险,特别是那些在网上购买的。方法:采用液相色谱-高分辨质谱法(LC-HRMS)、液相色谱-串联质谱法(LC-MS/MS)和核磁共振(NMR)等分析方法。在尿液和血液中进行包括NPS在内的全面毒理学筛查。ADB-BUTINACA采用标准添加方法对各种死后基质进行量化:股血和心脏血液、尿液、胃内容物、胆汁液和肝组织。通过外部校准分析头皮毛发,以评估潜在的长期暴露。结果:ADB-BUTINACA在股血、心血和尿中的浓度分别为34.5 ng/mL、101 ng/mL和3.1 ng/mL。在粉末和头发中发现了MDMB-BUTINACA的痕迹,但在其他生物基质中没有发现。在所有生物基质中均检测到ADB-BUTINACA代谢物。结论:该病例表明,由于死后血液样本中ADB-BUTINACA浓度极高而导致致命中毒,强调了与错误标记物质相关的严重风险。它强调了药物检查服务的重要性,以防止由强效NPS引起的中毒和过量。
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引用次数: 0
Development of a rapid targeted and non-targeted analysis method for etomidate and its structural analogues by ambient flame ionization mass spectrometry. 环境火焰电离质谱法快速分析依托咪酯及其结构类似物的方法。
IF 3 4区 医学 Q2 TOXICOLOGY Pub Date : 2026-01-01 Epub Date: 2025-08-27 DOI: 10.1007/s11419-025-00737-0
Meiting Lin, Miao Zhang, Zhen Zhang, Ping Xiang, Yunli Zhao, Junbo Zhao

Purpose: Etomidate, which is a psychoactive drug with an anesthetic effect, is used as a substitute for expensive mainstream drugs. There has been a trend toward abuse of etomidate and its emerging structural analogues now. Faced with a large number of samples, a rapid and effective detection method is needed.

Methods: In this study, ambient flame ionization (AFI) coupled with LTQ-Orbitrap mass spectrometry was used to analyze etomidate and its structural analogues in urine. It can realize detection in less than 0.2 min without sample preparation.

Results: Ideal analysis conditions were obtained by optimizing various parameters and analytical performance was validated. The isomers (isopropoxate and propoxate) can be distinguished by ion abundance ratios. Positive samples (n = 75) were analyzed very efficiently and successfully from plenty of authentic specimens (n = 116). Statistical analysis was conducted on drug types, age, and gender of drug users. A new structural analogue was discovered in one of the samples, which was a very crucial discovery. That meant the market may face with the emergence of new structural analogues.

Conclusions: This study can satisfy both targeted and non-targeted screening, which provides support for timely monitoring and detection of novel drugs and offers a wider range of method choices for forensic laboratories. It can also better cope with the current situation of drug control and combat crimes related to new types of drugs.

目的:依托咪酯是一种具有麻醉作用的精神药物,被用作昂贵的主流药物的替代品。目前有滥用依托咪酯及其新出现的结构类似物的趋势。面对大量的样品,需要一种快速有效的检测方法。方法:采用环境火焰电离(AFI)联用LTQ-Orbitrap质谱法对尿液中依托咪酯及其结构类似物进行分析。无需样品制备,可在0.2 min内实现检测。结果:通过对各参数的优化,获得了理想的分析条件,并验证了分析性能。异构体(异丙酸酯和丙酸酯)可以通过离子丰度比来区分。从大量真实标本(n = 116)中,对阳性样本(n = 75)进行了高效和成功的分析。对吸毒人员的药物种类、年龄、性别进行统计分析。在其中一个样本中发现了一种新的结构类似物,这是一个非常重要的发现。这意味着市场可能会面临新的结构类似物的出现。结论:本研究既能满足靶向筛选,又能满足非靶向筛选,为新型药物的及时监测和检测提供了支持,为法医实验室提供了更广泛的方法选择。它还可以更好地应对当前的禁毒形势,打击与新型毒品有关的犯罪。
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引用次数: 0
Identification of two novel imidazole-derived GABA agonists butomidate and tf-etomidate in e-cigarette liquids. 电子烟液中两种新型咪唑衍生GABA激动剂布托咪酯和依托咪酯的鉴定。
IF 3 4区 医学 Q2 TOXICOLOGY Pub Date : 2026-01-01 Epub Date: 2025-07-11 DOI: 10.1007/s11419-025-00732-5
Xiaolong Zhang, Yaqing Li, Jinlei Liu, Ziyi Pan, Yuxuan Chen, Mengchao Wang, Yinyin Dai, Kundi Zhao, Jie Gu, Huimin Zhang, Shengnan Zhang, Amin Wurita, Koutaro Hasegawa

Purpose: Recently, a number of abuse and intoxication cases involving imidazole-derived GABA agonists etomidate and its analogs have been reported in China. During our recent screening of e-cigarette liquids, we encountered two novel etomidate analogs that have not previously been reported. This study aims to present the analytical procedures used to identify these compounds, along with detailed data obtained under various instrumental conditions.

Methods: Identification of the substances of concern was carried out using various instruments, including gas chromatography-mass spectrometry (GC-MS), headspace gas chromatography (HS-GC), liquid chromatography-high-resolution mass spectrometry (LC-HRMS), and liquid chromatography-tandem mass spectrometry (LC-MS/MS).

Results: Analysis of the e-cigarette samples of concern using GC-MS, LC-HRMS, and LC-MS/MS yielded mass spectra, product ion mass spectra, and high-resolution mass spectra, which allowed structural elucidation. HS-GC analysis of hydrolyzed alcohols provided further insights into the substituent groups linked to imidazole core. Finally, the compounds were identified as butomidate and trifluoro-etomidate (tf-etomidate) through comparison with reference standards. Product ion mass spectra of the reference standards at various collision energies were obtained by LC-MS/MS, which also matched those of the target compounds.

Conclusion: This study demonstrated the ion spectra of butomidate, sec-butomidate and tf-etomidate as obtained by GC-MS, and their product ion spectra under varying collision energies by LC-MS/MS. These findings enabled the identification of the compounds in the dubious e-cigarette liquids. To our knowledge, this is the first report detailing qualitative procedures and associated instrumental data for the identification of butomidate and tf-etomidate.

目的:近年来,国内报道了咪唑类GABA受体激动剂依托咪酯及其类似物的滥用和中毒案件。在我们最近对电子烟液体的筛选过程中,我们遇到了两种以前没有报道过的新的依托咪酯类似物。本研究旨在介绍用于鉴定这些化合物的分析程序,以及在各种仪器条件下获得的详细数据。方法:采用气相色谱-质谱法(GC-MS)、顶空气相色谱法(HS-GC)、液相色谱-高分辨率质谱法(LC-HRMS)、液相色谱-串联质谱法(LC-MS/MS)等多种仪器对关注物质进行鉴定。结果:采用GC-MS、LC-HRMS和LC-MS/MS对所关注的电子烟样品进行质谱、产物离子质谱和高分辨率质谱分析,可以进行结构解析。水解醇的HS-GC分析提供了与咪唑核连接的取代基的进一步见解。最后通过与对照品的比较,鉴定为布托咪酯和三氟依托咪酯(tf-依托咪酯)。通过LC-MS/MS获得了不同碰撞能量下标准品的产物离子质谱,与目标化合物的产物离子质谱吻合。结论:本研究证实了布托咪酯、异布托咪酯和异托咪酯的气相色谱-质谱,以及它们在不同碰撞能量下的产物离子谱。这些发现使鉴定可疑电子烟液体中的化合物成为可能。据我们所知,这是第一份详细描述鉴定布托咪酯和依托咪酯的定性程序和相关仪器数据的报告。
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引用次数: 0
Development of a novel isolation method for Δ9-tetrahydrocannabinolic acid-A from cannabis suitable for forensic laboratories. 一种适用于法医实验室从大麻中分离Δ9-tetrahydrocannabinolic酸- a的新方法的开发。
IF 3 4区 医学 Q2 TOXICOLOGY Pub Date : 2026-01-01 Epub Date: 2025-10-02 DOI: 10.1007/s11419-025-00742-3
Kenji Tsujikawa, Yuki Okada, Tadashi Yamamuro, Kenji Kuwayama, Tatsuyuki Kanamori, Yuko T Iwata

Purpose: Δ9-Tetrahydrocannabinolic acid-A (Δ9-THCA-A) is a precursor of Δ9-tetrahydrocannabinol in cannabis. Here, considering applicability to ordinary forensic laboratories, we developed a novel isolation method for Δ9-THCA-A without the need for special equipment.

Methods: Dried pulverized cannabis inflorescence (2 g) was extracted with acetonitrile. After the extract was treated with graphite carbon powder to remove chlorophyll, the solvent was replaced with methanol. The methanol solution was diluted with aqueous sodium hydroxide solution and then washed with a mixture of n-hexane/ethyl acetate (7:1, v/v). The remaining aqueous layer was acidified with acetic acid and extracted with the n-hexane/ethyl acetate mixture. The extract was purified by silver nitrate-impregnated silica gel column chromatography.

Results: The isolation procedure gave a pale beige solid as the final product. The final product was identified as Δ9-THCA-A by comparison of the analytical results of gas chromatography/mass spectrometry (GC/MS) after trimethylsilylation and high-performance liquid chromatography with ultraviolet detection (HPLC-UV) with an authentic standard. The final product was confirmed to be highly pure by 1H-nuclear magnetic resonance spectroscopy in addition to GC/MS and HPLC-UV.

Conclusions: This novel isolation method gave highly pure Δ9-THCA-A without using special purification equipment, such as a flash chromatography system or an HPLC system with a fraction collector, which are uncommon in forensic laboratories. This method will be useful for many forensic laboratories that find it difficult to obtain commercial Δ9-THCA-A as a standard.

用途:Δ9-Tetrahydrocannabinolic酸- a (Δ9-THCA-A)是大麻中Δ9-tetrahydrocannabinol的前体。在这里,考虑到适用于普通法医实验室,我们开发了一种新的隔离方法Δ9-THCA-A不需要特殊设备。方法:用乙腈提取干大麻花粉(2g)。提取液经石墨碳粉处理去除叶绿素后,用甲醇代替溶剂。甲醇溶液用氢氧化钠水溶液稀释,然后用正己烷/乙酸乙酯(7:1,v/v)的混合物洗涤。剩余水层用乙酸酸化,用正己烷/乙酸乙酯混合物萃取。提取液采用硝酸银-硅胶柱层析纯化。结果:分离得到的最终产物为淡米色固体。将三甲基硅基化后的气相色谱/质谱(GC/MS)分析结果与具有正品标准的高效液相色谱-紫外检测(HPLC-UV)分析结果进行比较,确定最终产品为Δ9-THCA-A。经1h -核磁共振波谱、GC/MS、HPLC-UV等方法验证,最终产物纯度高。结论:该分离方法不需要特殊的纯化设备,如闪蒸层析系统或带组分收集器的高效液相色谱系统,可获得高纯度的Δ9-THCA-A,这在法医实验室中并不常见。这种方法将对许多难以获得商业Δ9-THCA-A作为标准的法医实验室有用。
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Forensic Toxicology
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