Forensic Chemistry最新文献

Comparing a machine learning approach with traditional methods for forensic source attribution using chromatographic data 将机器学习方法与使用色谱数据进行法医源归属的传统方法进行比较

IF 2.2 3区医学

Forensic Chemistry Pub Date : 2025-10-04 DOI: 10.1016/j.forc.2025.100699

Jonas Malmborg , Ludvig Joborn , Mattias Beming , Anders Nordgaard , Ivo Alberink

引用次数: 0

Analysis of oil-based ignitable liquid residues by GC–MS and DART–MS 油基可燃液体残留物的GC-MS和DART-MS分析

IF 2.2 3区医学

Forensic Chemistry Pub Date : 2025-09-30 DOI: 10.1016/j.forc.2025.100701

Wen Dong , Ngee Sing Chong , Qudus Ayodeji Thanni , Peter de Boves Harrington , Mengliang Zhang

{"title":"Analysis of oil-based ignitable liquid residues by GC–MS and DART–MS","authors":"Wen Dong , Ngee Sing Chong , Qudus Ayodeji Thanni , Peter de Boves Harrington , Mengliang Zhang","doi":"10.1016/j.forc.2025.100701","DOIUrl":"10.1016/j.forc.2025.100701","url":null,"abstract":"<div><div>Fatty acid-based ignitable liquids (ILs), such as biodiesels and bio-based lighter fluids, represent a growing class of accelerants with limited forensic characterization. In this study, we applied gas chromatography–mass spectrometry (GC–MS) and direct analysis in real time mass spectrometry (DART–MS) to analyze plant oil-derived IL residues on wood and fabric substrates. ILs were prepared from ten different plant oils, subjected to burning, and extracted from fire debris using the ASTM E1412 activated charcoal method. GC–MS analysis resolved characteristic fatty acid methyl esters (FAMEs) and identified diagnostic fragment ions (<em>m/z</em> 55, 67, 74, 79). The fragmentation patterns of unsaturated and saturated FAMEs were systematically examined and compared against experimental data and reference spectra from online databases, demonstrating strong agreement and validating the reliability of these ion ratios as qualitative indicators of FAME saturation. DART–MS enabled rapid confirmation of major unsaturated FAMEs through the detection of protonated molecular ions, offering complementary identification without chromatographic separation. Chemometric analysis using principal component analysis (PCA) and analysis of variance-PCA revealed that FAME profiles were strongly dependent on the IL sources and remained reliable across replicate preparations and synthesis conditions, while substrate and combustion effects were mitigated using targeted ion extraction. These findings demonstrate the practical casework relevance of combining GC–MS and DART–MS for the detection and classification of fatty acid–based ILs in fire debris, providing robust chemical evidence to support arson investigations and to guide the inclusion of these emerging accelerants in forensic ignitable-liquid classification schemes.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"46 ","pages":"Article 100701"},"PeriodicalIF":2.2,"publicationDate":"2025-09-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263154","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

The forensic value of spectral silence: FTIR results with little or no absorption — A technical note 光谱沉默的法医价值：很少或没有吸收的FTIR结果-技术说明

IF 2.2 3区医学

Forensic Chemistry Pub Date : 2025-09-23 DOI: 10.1016/j.forc.2025.100697

Lúcio Paulo Lima Logrado

引用次数: 0

Development and evaluation of a washing method for the removal of drugs infused on clothing 一种去除衣物上浸渍药物的洗涤方法的研制与评价

IF 2.2 3区医学

Forensic Chemistry Pub Date : 2025-09-18 DOI: 10.1016/j.forc.2025.100695

Purva Chavan , Caitlyn Norman , Victoria Marland , Bronagh Murphy , Autumn Cracknell , Christopher R. Pudney , Niamh Nic Daéid , Hervé Ménard

{"title":"Development and evaluation of a washing method for the removal of drugs infused on clothing","authors":"Purva Chavan , Caitlyn Norman , Victoria Marland , Bronagh Murphy , Autumn Cracknell , Christopher R. Pudney , Niamh Nic Daéid , Hervé Ménard","doi":"10.1016/j.forc.2025.100695","DOIUrl":"10.1016/j.forc.2025.100695","url":null,"abstract":"<div><div>The presence of drugs, particularly new psychoactive substances (NPS), like synthetic cannabinoid receptor agonists (SCRAs) and novel benzodiazepines, infused in clothes sent to prisons necessitates the development of an effective and non-destructive removal method. The purpose of this study was to devise and assess a laboratory-scale washing method to effectively remove drugs infused in clothing. Small-scale laboratory experiments were performed on different textile types infused with a range of SCRAs commonly encountered within the Scottish Prison estate to test various washing conditions, including temperature, detergent types and concentrations. Large-scale laboratory experiments were performed to extend the applicability of the method to realistic scenarios. The study demonstrates that washing the infused clothes with a minimal amount of detergent currently used by the Scottish Prison Service (4–8 μg/mL) at 40 °C effectively removes up to 98 % of the drug compared to only about 28 % with water alone. Distinctive drug removal percentages were observed among different textile types, with cotton and wool exhibiting the highest drug removal percentage and polyamide and cotton-elastane the least. Drug transfer from infused to blank textiles was limited, with only a small fraction of the initial amount retained. The implications of this method can be applied to prisons worldwide, effectively mitigating drug-related issues and ensuring the safety of both prisoners and prison staff.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"46 ","pages":"Article 100695"},"PeriodicalIF":2.2,"publicationDate":"2025-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145109182","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

N-desethyl isotonitazene in fake oxycodone tablets seized in Portugal: the first notification in Europe 在葡萄牙检获含假羟考酮片的n -去乙基异戊二烯：欧洲的第一份通报

IF 2.2 3区医学

Forensic Chemistry Pub Date : 2025-09-15 DOI: 10.1016/j.forc.2025.100696

Carla Filipa Ferreira , Alexandra M.M. Antunes , Helena Gaspar , Maria João Caldeira

{"title":"N-desethyl isotonitazene in fake oxycodone tablets seized in Portugal: the first notification in Europe","authors":"Carla Filipa Ferreira , Alexandra M.M. Antunes , Helena Gaspar , Maria João Caldeira","doi":"10.1016/j.forc.2025.100696","DOIUrl":"10.1016/j.forc.2025.100696","url":null,"abstract":"<div><div>Nitazenes class emerged in the mid-1950s as an attempt to develop safer and more effective opioid analgesics for medical applications. This led to the discovery of a series of 2-benzylbenzimidazole derivatives, which exhibited analgesic potency several orders of magnitude higher than that of morphine. However, these derivatives were never approved for medical use due to their risk of dependence and overdose. Thus, nitazenes appear to be even more potent than fentanyl, raising concerns about their high overdose potential increasing number of related fatalities. The principal aim of this study was to report the first identification of a nitazene in Portugal, which was identified in fake oxycodone tablets seized by Portuguese Criminal Police and analysed by Portuguese Forensic Science Laboratory in collaboration with the University of Lisbon. To address the challenges in identifying new emerging drugs, such as the lack of standards and the possibility of structural isomers, the <em>N</em>-desethyl isotonitazene was successfully identified in the tablets using a combination of complementary techniques, including GC–MS, LC-HRMS/MS, NMR and FTIR. Notably, this represented the first recorded occurrence of this nitazene in Europe. Additionally, to the best of our knowledge, this is the first report of fake oxycodone tablet containing <em>N</em>-desethyl isotonitazene. This work also contributed to formally notifying the EU Early Warning System on New Psychoactive Substances in December of 2023.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"46 ","pages":"Article 100696"},"PeriodicalIF":2.2,"publicationDate":"2025-09-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145107734","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Headspace detection and characterization of erythritol tetranitrate 四硝酸赤藓糖醇的顶空检测与表征

IF 2.2 3区医学

Forensic Chemistry Pub Date : 2025-09-08 DOI: 10.1016/j.forc.2025.100693

Janet Crespo-Cajigas , Dawn M. Mills , Melissa J. Clinard

{"title":"Headspace detection and characterization of erythritol tetranitrate","authors":"Janet Crespo-Cajigas , Dawn M. Mills , Melissa J. Clinard","doi":"10.1016/j.forc.2025.100693","DOIUrl":"10.1016/j.forc.2025.100693","url":null,"abstract":"<div><div>Erythritol Tetranitrate (ETN) is an improvised explosive that has been recently integrated into explosive detector canine (EDC) training in the United States. The odor profile for ETN has not been well characterized, preventing the development of representative training aids and best training practices. Here, the headspace composition of ETN was characterized for the first time using thermal desorption gas chromatography–mass spectrometry (TD-GC–MS). The TD parameters, sorbent materials, and microchamber settings used for headspace sampling were optimized. The odor profile of ETN under ambient conditions was determined from two separately synthesized ETN samples to contain ETN, nonanoic acid, and an unidentified compound attributed to the erythritol precursor. A Tenax degradation product (2,4-ditertbutyl-6-nitro-phenol) was also detected in each sample indicating the likely release of NO<sub>2</sub> from ETN and contribution to its headspace composition. Furthermore, various chemicals unrelated to the synthetic preparation of ETN were detected and identified as contaminants due to storage conditions of each sample, indicating the tendency of the ETN samples tested to absorb volatiles from its surroundings. Additional compounds were detected in the headspace of ETN (triethyl phosphate, nonanoic acid, 2-ethyl hexanoic acid) but were unable to be attributed to a source. The odor profile reported herein can serve as a baseline to evaluate ETN EDC standards and generalization while the TD-GC–MS methods presented can be used by other laboratories to characterize newly synthesized ETN samples, develop and validate of alternative ETN K9 training aids, and assess contamination of ETN K9 training aids due to storage or frequent use.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"46 ","pages":"Article 100693"},"PeriodicalIF":2.2,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145027764","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A multifaceted approach to capturing post-blast TATP 捕获爆炸后TATP的多方面方法

IF 2.2 3区医学

Forensic Chemistry Pub Date : 2025-09-08 DOI: 10.1016/j.forc.2025.100694

Ryan M. Bain, Gui-hua Lisa Lang, Cayla See, Shane Kullen, Meghan Kane, Julie Pannuto

{"title":"A multifaceted approach to capturing post-blast TATP","authors":"Ryan M. Bain, Gui-hua Lisa Lang, Cayla See, Shane Kullen, Meghan Kane, Julie Pannuto","doi":"10.1016/j.forc.2025.100694","DOIUrl":"10.1016/j.forc.2025.100694","url":null,"abstract":"<div><div>Triacetone triperoxide (TATP) is a primary high explosive which is used in improvised explosive devices (IEDs) and represents a challenge for forensic explosive chemists in post-blast scenarios due to its propensity to sublimate under ambient conditions. Herein, two sampling methods for the detection of TATP by gas chromatography mass spectrometry (GC-MS) are demonstrated on both low-resolution and high-resolution mass spectrometry systems. The two GC–MS workflows with headspace sampling were developed with post-blast analysis in mind. The first workflow implemented on-line solid phase microextraction (SPME) with direct headspace desorption. This method was used when samples could fit into a headspace vial. Alternatively, for larger samples, an indirect analysis was performed with an off-line passive sampling technique. This approach was modeled after a common fire debris extraction using an activated charcoal strip. Small scale initiations and post-blast samples using different witness materials were created and analyzed. Some experiments included the use of a sheet explosive in addition to TATP. Finally, the persistence of TATP on a variety of surfaces was investigated. The relationship between collection time, sampling methods and sample matrices to recoverable TATP is presented.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"46 ","pages":"Article 100694"},"PeriodicalIF":2.2,"publicationDate":"2025-09-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145047955","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Corrigendum to “Revealing novel ionic species and key forensic insights: comparative analysis of non-extracted seized tablets vs. corresponding extracts by DART-HRMS” [Forensic Chem. 44 (2025) 100665 “揭示新的离子种类和关键的法医见解：用DART-HRMS对未提取的缉获片剂和相应的提取物进行比较分析”[法医化学，44(2025)100665]的更正

IF 2.2 3区医学

Forensic Chemistry Pub Date : 2025-09-01 DOI: 10.1016/j.forc.2025.100673

Alexandre Narcelli Pestana de Aguiar , Diego Rissi Carvalhosa , Francisco Radler de Aquino Neto , Gabriela Vanini

引用次数: 0

Methods to transform illicit drugs: A review and evaluation of drug degradation techniques 转化非法药物的方法：药物降解技术综述与评价

IF 2.2 3区医学

Forensic Chemistry Pub Date : 2025-08-16 DOI: 10.1016/j.forc.2025.100689

Alexandra L. Mercieca, Morgan Alonzo, Scott Chadwick, Andrew M. McDonagh

{"title":"Methods to transform illicit drugs: A review and evaluation of drug degradation techniques","authors":"Alexandra L. Mercieca, Morgan Alonzo, Scott Chadwick, Andrew M. McDonagh","doi":"10.1016/j.forc.2025.100689","DOIUrl":"10.1016/j.forc.2025.100689","url":null,"abstract":"<div><div>The disposal of seized illicit drugs is highly dependent on incineration methods. Accessible alternatives for the destruction and disposal of illicit drugs may be required due to operational or risk management strategies. In this review, alternative methods of illicit drug disposal are evaluated, highlighting thermal, chemical, biological and miscellaneous degradation techniques. Chemical degradation of illicit drugs offers the most promising alternative to incineration. Oxidative processes utilise commercially available reagents and are accessible, with some methods already established as industry processes. Advanced oxidation processes have short run times (<24 h) and can completely mineralise organic compounds, overcoming the limitation of forming undesired transformation products. Other feasible methods for drug degradation include bacterial growth and gamma irradiation. It is apparent, however, that there is currently no universal alternative method for drug degradation, as diverse classes of drugs exhibit different degradation characteristics. In some instances, harmful compounds can be produced from the degradation of the illicit drugs although if the transformation products are not illicit, they can be integrated into existing chemical waste procedures using appropriate hazardous waste protocols.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"46 ","pages":"Article 100689"},"PeriodicalIF":2.2,"publicationDate":"2025-08-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145047956","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Discrimination of Cannabis sativa L. from other similar plant species using solvent extraction, ATR-FTIR and PLS-DA 溶剂提取、ATR-FTIR和PLS-DA鉴别大麻与其他类似植物

IF 2.2 3区医学

Forensic Chemistry Pub Date : 2025-08-09 DOI: 10.1016/j.forc.2025.100690

Rafaela Dornelas Vieira , Fabiana Casarin , Laíz de Oliveira Magalhães , Ícaro Noé Caixêta , Luciano Chaves Arantes , Jez Willian Batista Braga

{"title":"Discrimination of Cannabis sativa L. from other similar plant species using solvent extraction, ATR-FTIR and PLS-DA","authors":"Rafaela Dornelas Vieira , Fabiana Casarin , Laíz de Oliveira Magalhães , Ícaro Noé Caixêta , Luciano Chaves Arantes , Jez Willian Batista Braga","doi":"10.1016/j.forc.2025.100690","DOIUrl":"10.1016/j.forc.2025.100690","url":null,"abstract":"<div><div><em>Cannabis sativa</em> L. is a plant with diverse applications, but remains the most widely used illicit substance worldwide. Its classification as a drug of abuse, along with socio-economic concerns, has led to its prohibition in numerous countries, including Brazil, where its consumption, cultivation, and sale are strictly prohibited. This regulatory context highlights the need for reliable and accurate methods for cannabis identification. In this study, three straightforward and efficient analytical methods were developed for the identification of <em>Cannabis sativa</em>, using simple extraction procedures followed by ATR-FTIR spectroscopy. Three solvents were evaluated: chloroform and petroleum ether, both combined with Fast Blue B salt, and ethanol, employed as a standalone solvent. Optimized spectral regions (1550–1650 cm<sup>−1</sup> for ethanol and petroleum ether; 800–880 cm<sup>−1</sup> for chloroform) and preprocessing techniques, such as Standard Normal Variate (SNV) and mean centering, resulted in a robust PLS-DA model. The method exhibited a low incidence of outliers (0.4 %–1.6 %), minimal false-negative and false-positive error rates (1.1 %–2.8 % and 0.0 %–3.0 %, respectively). Ethanol performed as the best and greener method, with an efficiency of 99.4 %, no residual generation, and eliminating the need for bonding agents like Fast Blue B salt. It also aligns with green chemistry principles, making it safer for analysts and the environment. Overall, the proposed method offers a reliable, accurate, and sustainable alternative for the forensic identification of <em>Cannabis sativa</em>, effectively addressing the limitations of conventional screening techniques and the complexity of plant-based mixtures.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"45 ","pages":"Article 100690"},"PeriodicalIF":2.2,"publicationDate":"2025-08-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144829634","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0