Chemical attribution signatures of nordiazepam for the determination of synthetic routes

IF 2.6 3区医学 Q2 CHEMISTRY, ANALYTICAL

Forensic Chemistry Pub Date : 2025-03-13 DOI:10.1016/j.forc.2025.100653

Meng Jin , Zixuan Zhang , Xiaogang Lu , Qian Wang , Runli Gao , Fengxia Sun , Hongmei Wang

{"title":"Chemical attribution signatures of nordiazepam for the determination of synthetic routes","authors":"Meng Jin , Zixuan Zhang , Xiaogang Lu , Qian Wang , Runli Gao , Fengxia Sun , Hongmei Wang","doi":"10.1016/j.forc.2025.100653","DOIUrl":null,"url":null,"abstract":"<div><div>The origin of illegal drugs is a crucial aspect of forensic work, which provides valuable information for combating and investigating the secret manufacture of drugs and medicines. This paper describes the use of comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC × GC-TOFMS) to determine the Chemical Attribution Signatures (CASs) of nordiazepam, a key precursor of diazepam, for tracking the production of diazepam. Synthetic samples were identified and classified using GC × GC-TOFMS and chemometrics. Analysis samples (<em>n</em> = 12) were collected from two synthetic nordiazepam routes; resulting in the identification of 34 possible chemical attribution markers. The finding, combined with chemometric methods, enabled the establishment of a classification prediction model for route attribution. Through cross validation of the model, it has been proven that our model has good classification performance under controlled conditions and can effectively classify samples.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"44 ","pages":"Article 100653"},"PeriodicalIF":2.6000,"publicationDate":"2025-03-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Forensic Chemistry","FirstCategoryId":"3","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S2468170925000153","RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, ANALYTICAL","Score":null,"Total":0}

引用次数: 0

Abstract

The origin of illegal drugs is a crucial aspect of forensic work, which provides valuable information for combating and investigating the secret manufacture of drugs and medicines. This paper describes the use of comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry (GC × GC-TOFMS) to determine the Chemical Attribution Signatures (CASs) of nordiazepam, a key precursor of diazepam, for tracking the production of diazepam. Synthetic samples were identified and classified using GC × GC-TOFMS and chemometrics. Analysis samples (n = 12) were collected from two synthetic nordiazepam routes; resulting in the identification of 34 possible chemical attribution markers. The finding, combined with chemometric methods, enabled the establishment of a classification prediction model for route attribution. Through cross validation of the model, it has been proven that our model has good classification performance under controlled conditions and can effectively classify samples.

Abstract Image

查看原文本刊更多论文

用于合成路线确定的去甲地西泮的化学属性特征

非法毒品的来源是法医工作的一个重要方面，它为打击和调查秘密制造毒品和药品提供了宝贵的资料。本文介绍了利用综合二维气相色谱-飞行时间质谱（GC × GC- tofms）测定地西泮关键前体——去甲地西泮的化学属性特征（CASs），以跟踪地西泮的生产。采用GC × GC- tofms和化学计量学对合成样品进行鉴定和分类。分析样品（n = 12）取自两种合成去甲地西泮路线；结果鉴定出34种可能的化学归属标记。结合化学计量学方法，建立了路线归属的分类预测模型。通过对模型的交叉验证，证明了我们的模型在受控条件下具有良好的分类性能，能够有效地对样本进行分类。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

求助全文

约1分钟内获得全文求助全文

来源期刊

Forensic Chemistry CHEMISTRY, ANALYTICAL-

CiteScore

5.70

自引率

14.80%

发文量

审稿时长

46 days

期刊介绍： Forensic Chemistry publishes high quality manuscripts focusing on the theory, research and application of any chemical science to forensic analysis. The scope of the journal includes fundamental advancements that result in a better understanding of the evidentiary significance derived from the physical and chemical analysis of materials. The scope of Forensic Chemistry will also include the application and or development of any molecular and atomic spectrochemical technique, electrochemical techniques, sensors, surface characterization techniques, mass spectrometry, nuclear magnetic resonance, chemometrics and statistics, and separation sciences (e.g. chromatography) that provide insight into the forensic analysis of materials. Evidential topics of interest to the journal include, but are not limited to, fingerprint analysis, drug analysis, ignitable liquid residue analysis, explosives detection and analysis, the characterization and comparison of trace evidence (glass, fibers, paints and polymers, tapes, soils and other materials), ink and paper analysis, gunshot residue analysis, synthetic pathways for drugs, toxicology and the analysis and chemistry associated with the components of fingermarks. The journal is particularly interested in receiving manuscripts that report advances in the forensic interpretation of chemical evidence. Technology Readiness Level: When submitting an article to Forensic Chemistry, all authors will be asked to self-assign a Technology Readiness Level (TRL) to their article. The purpose of the TRL system is to help readers understand the level of maturity of an idea or method, to help track the evolution of readiness of a given technique or method, and to help filter published articles by the expected ease of implementation in an operation setting within a crime lab.