Application of GC–MS retention index in forensic routine

IF 2.6 3区医学 Q2 CHEMISTRY, ANALYTICAL

Forensic Chemistry Pub Date : 2024-11-19 DOI:10.1016/j.forc.2024.100622

Ettore Ferrari Júnior , Luisa Pereira e Ferreira , Rogério Araújo Lordeiro , Yuri Machado

{"title":"Application of GC–MS retention index in forensic routine","authors":"Ettore Ferrari Júnior , Luisa Pereira e Ferreira , Rogério Araújo Lordeiro , Yuri Machado","doi":"10.1016/j.forc.2024.100622","DOIUrl":null,"url":null,"abstract":"<div><div>Gas chromatography–mass spectrometry (GC–MS) is widely used for the identification of substances of forensic interest, but it faces challenges due to the vast diversity of available drugs. In this context, the use of the linear retention index (LRI) can help overcome difficulties associated with the identification of a large number of substances, as it is less susceptible to variations in experimental conditions compared to retention time (RT). Building an LRI database allows rapid and simultaneous identification of several compounds, including new and structurally similar substances, thus standardizing analytical identification. This study aimed to evaluate the use of the retention index (RI) in both intralaboratory and interlaboratory forensic routines. Over a 50-week period on the same GC–MS system, RI values were effectively adjusted by reinjecting an n-alkane mix after maintenance that required vacuum breaks, updating the retention times of each substance evaluated (benzocaine, caffeine, cocaine and flunitrazepam). Interlaboratory reproducibility was evaluated between two forensic laboratories using up to 104 analytes. Two oven temperature programs, three GC brands and two analytical columns were evaluated. Under the same analytical conditions, the ΔRI was ≤10 index units (i.u.) for 103 substances, with testosterone enanthate showing a ΔRI = 11 i.u.. The proposed method proved to be reproducible and selective, and the use of RI has demonstrated accuracy as a complementary technique for identifying a wide range of analytes. Furthermore, the sharing of an RI database can strengthen the analytical routine, being a way to quickly obtain information on the identification of new drugs.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"41 ","pages":"Article 100622"},"PeriodicalIF":2.6000,"publicationDate":"2024-11-19","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/S2468170924000742","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

Gas chromatography–mass spectrometry (GC–MS) is widely used for the identification of substances of forensic interest, but it faces challenges due to the vast diversity of available drugs. In this context, the use of the linear retention index (LRI) can help overcome difficulties associated with the identification of a large number of substances, as it is less susceptible to variations in experimental conditions compared to retention time (RT). Building an LRI database allows rapid and simultaneous identification of several compounds, including new and structurally similar substances, thus standardizing analytical identification. This study aimed to evaluate the use of the retention index (RI) in both intralaboratory and interlaboratory forensic routines. Over a 50-week period on the same GC–MS system, RI values were effectively adjusted by reinjecting an n-alkane mix after maintenance that required vacuum breaks, updating the retention times of each substance evaluated (benzocaine, caffeine, cocaine and flunitrazepam). Interlaboratory reproducibility was evaluated between two forensic laboratories using up to 104 analytes. Two oven temperature programs, three GC brands and two analytical columns were evaluated. Under the same analytical conditions, the ΔRI was ≤10 index units (i.u.) for 103 substances, with testosterone enanthate showing a ΔRI = 11 i.u.. The proposed method proved to be reproducible and selective, and the use of RI has demonstrated accuracy as a complementary technique for identifying a wide range of analytes. Furthermore, the sharing of an RI database can strengthen the analytical routine, being a way to quickly obtain information on the identification of new drugs.

Abstract Image

查看原文本刊更多论文

气相色谱-质谱保留指数在法医常规工作中的应用

气相色谱-质谱法（GC-MS）被广泛用于鉴别法医感兴趣的物质，但由于现有药物种类繁多，这种方法面临着挑战。在这种情况下，使用线性保留指数（LRI）有助于克服与大量物质鉴定相关的困难，因为与保留时间（RT）相比，线性保留指数不易受实验条件变化的影响。建立一个 LRI 数据库可以同时快速鉴定多种化合物，包括新物质和结构相似的物质，从而实现分析鉴定的标准化。本研究旨在评估保留指数 (RI) 在实验室内和实验室间法医例行程序中的使用情况。在同一气相色谱-质谱系统上进行了为期 50 周的实验，通过在需要中断真空的维护后重新注入正构烷烃混合物，有效地调整了 RI 值，更新了每种受评估物质（苯佐卡因、咖啡因、可卡因和氟硝西泮）的保留时间。使用多达 104 种分析物对两个法医实验室之间的实验室间重现性进行了评估。对两种烘箱温度程序、三种气相色谱仪品牌和两种分析柱进行了评估。在相同的分析条件下，103 种物质的 ΔRI ≤10 个指数单位（i.u.），其中庚酸睾酮的 ΔRI = 11 个指数单位（i.u.）。事实证明，所提出的方法具有可重复性和选择性，而且 RI 作为一种辅助技术，在鉴定各种分析物方面具有很高的准确性。此外，共享 RI 数据库可以加强分析工作，是快速获得新药鉴定信息的一种方法。

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.