Forensic Chemistry最新文献_第5页

Development of a semi-preparative LC method for the purification of synthetic cannabinoids impregnated in herbal products for chemical characterization by NMR and HRMS 建立一种半制备液相色谱法，用于纯化浸渍在草药产品中的合成大麻素，并通过NMR和HRMS进行化学表征

IF 2.6 3区医学

Forensic Chemistry Pub Date : 2025-09-01 Epub Date: 2025-06-10 DOI: 10.1016/j.forc.2025.100678

Karen Rafaela Gonçalves de Araújo , Gabriela de Paula Meirelles , Daniel Pecoraro Demarque , Fabiane Dorr , Luiz Ferreira Neves Júnior , Alexandre Learth Soares , Camila Delanesi Guedes , José Luiz da Costa , Mauricio Yonamine

{"title":"Development of a semi-preparative LC method for the purification of synthetic cannabinoids impregnated in herbal products for chemical characterization by NMR and HRMS","authors":"Karen Rafaela Gonçalves de Araújo , Gabriela de Paula Meirelles , Daniel Pecoraro Demarque , Fabiane Dorr , Luiz Ferreira Neves Júnior , Alexandre Learth Soares , Camila Delanesi Guedes , José Luiz da Costa , Mauricio Yonamine","doi":"10.1016/j.forc.2025.100678","DOIUrl":"10.1016/j.forc.2025.100678","url":null,"abstract":"<div><div>Synthetic cannabinoids (SCs) now encompass over 360 compounds under international control. Identifying these substances is a significant challenge for law enforcement, as they are new drugs found in herbal fragments, and reference standards are not available for traditional chemical analysis. To address this, substances can be identified using type A analytical techniques, according to the Scientific Working Group for the Analysis of Seized Drugs which are those with the highest level of selectivity and provide structural information, such as nuclear magnetic resonance and mass spectrometry. However, these methods require compound purification for proper characterization. This study aimed to develop a purification method for SCs in herbal fragments to enable chemical analysis. Seized samples were first analyzed using gas chromatography-electron ionization-mass spectrometry (GC-EI-MS). Then, a semi-preparative liquid chromatography (LC) method was applied, successfully isolating SCs and allowing their structural determination through NMR and high-resolution mass spectroscopy. In the first sample, MDMB-CHMINACA was identified as the sole SC. In the second sample, GC-EI-MS analysis revealed a mass spectrum that did not match any library entry. After purification, the substance was identified as ADB-INACA. In the third sample, the method facilitated the separation and structural determination of four SCs (MDMB-INACA, ADB-BUTINACA, MDMB-4en-PINACA, and 5F-ADB) in a mixture from an herbal sample. In conclusion, the method developed for purification using semi-preparative LC for subsequent chemical characterization proved to be effective for the structural determination of new SCs present in herbal drugs seized by the police.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"45 ","pages":"Article 100678"},"PeriodicalIF":2.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144263554","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 multi-modal spectroscopic approach to forensic discrimination of liquid cosmetic complexion products 一种多模态光谱方法用于液体化妆品的法医鉴别

IF 2.6 3区医学

Forensic Chemistry Pub Date : 2025-09-01 Epub Date: 2025-06-06 DOI: 10.1016/j.forc.2025.100677

Jesse McEwan , Katy A. Bruce , Kari Pitts , Georgina Sauzier

{"title":"A multi-modal spectroscopic approach to forensic discrimination of liquid cosmetic complexion products","authors":"Jesse McEwan , Katy A. Bruce , Kari Pitts , Georgina Sauzier","doi":"10.1016/j.forc.2025.100677","DOIUrl":"10.1016/j.forc.2025.100677","url":null,"abstract":"<div><div>Foundations and other complexion products such as concealers or beauty balm creams account for a significant proportion of the global cosmetic market. In addition to being widely used across a range of demographics, these products are inherently transferable through contact and have a variety of distinctive formulations, making them potentially valuable as associative evidence. Despite this, the analysis of complexion products for forensic purposes is a relatively under-researched area, with studies to date largely focussed exclusively on foundation products often analysed using a single technique. In this study, 35 liquid complexion products representing 19 international retailers available within Australia were analysed using ATR-FTIR spectroscopy. Initially indistinguishable samples were then analysed using Raman spectroscopy and X-ray diffraction, which have not previously been applied in the open literature for forensic cosmetic analysis, to enhance discrimination. Chemometric pattern recognition based on infrared data resulted in a discrimination accuracy of 98 % between individual products and classification accuracy of 72 % using a blind validation set. Raman spectroscopy and X-ray diffraction each offered enhanced discrimination of similar products primarily based on mineral content, although similar shades of the same product remain challenging. Analysis of eight duplicate samples purchased from the UK retail market revealed no significant compositional differences between batches from global retailers, which has yet to be explicitly investigated in existing studies. This market survey highlights the chemical variability of complexion products that may be exploited for evidential purposes using a multi-modal analytical workflow.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"45 ","pages":"Article 100677"},"PeriodicalIF":2.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144263553","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

SPME–GC–MS analysis of fire debris: assessing sample transfer viability for automated analysis and the influence of sooty materials 火灾碎片的SPME-GC-MS分析：评估自动分析的样品转移可行性和煤烟材料的影响

IF 2.2 3区医学

Forensic Chemistry Pub Date : 2025-09-01 Epub Date: 2025-07-28 DOI: 10.1016/j.forc.2025.100688

Lúcio Paulo Lima Logrado , Jez Willian Batista Braga

{"title":"SPME–GC–MS analysis of fire debris: assessing sample transfer viability for automated analysis and the influence of sooty materials","authors":"Lúcio Paulo Lima Logrado , Jez Willian Batista Braga","doi":"10.1016/j.forc.2025.100688","DOIUrl":"10.1016/j.forc.2025.100688","url":null,"abstract":"<div><div>Abstract</div><div>Arson investigation poses unique challenges in forensic science due to the destructive nature of fires, which can compromise physical evidence. It is one of the most challenging areas of forensic chemistry, frequently applied to identify flammable liquids in fire debris. SPME–GC–MS is one of the most applied techniques for this purpose. Automated SPME–GC–MS systems offer various advantages over manual versions, such as increased efficiency, reproducibility, precision, and reduced analysis time. However, samples are often not sent to the laboratory in vials appropriate for automated SPME, raising questions about the feasibility of transferring them to these headspace vials in the laboratory to take advantage of this automation. Another significant issue with this analytical technique is how highly adsorbent materials in the sample, such as sooty materials, can hinder SPME analyses by affecting analyte desorption and subsequent detection. This study addresses these crucial questions by evaluating sample losses and assessing the impact of sooty materials on results. It demonstrates that transferring fire debris samples is feasible, with minimal impact on chromatographic profiles even for unburned gasoline when exposed to the atmosphere for short periods. Burned gasoline can still be identified, despite some losses, even after more than 24 h. The study also demonstrated that the presence of sooty material can hinder analyte detection in direct SPME analysis, but this can be mitigated using nonpolar solvent extractions followed by analyses of the dried extract using the same analytical technique.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"45 ","pages":"Article 100688"},"PeriodicalIF":2.2,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144724699","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

Analysis of automotive lubricating grease residue: A forensic investigation using ATR-FTIR spectroscopic and chemometric interpretation 汽车润滑油脂残留物的分析：ATR-FTIR光谱和化学计量学解释的法医调查

IF 2.6 3区医学

Forensic Chemistry Pub Date : 2025-09-01 Epub Date: 2025-05-29 DOI: 10.1016/j.forc.2025.100670

Dimple Bhatia, Chongtham Nimi, Deepak Kumar, Arti Yadav, Rajinder Singh

{"title":"Analysis of automotive lubricating grease residue: A forensic investigation using ATR-FTIR spectroscopic and chemometric interpretation","authors":"Dimple Bhatia, Chongtham Nimi, Deepak Kumar, Arti Yadav, Rajinder Singh","doi":"10.1016/j.forc.2025.100670","DOIUrl":"10.1016/j.forc.2025.100670","url":null,"abstract":"<div><div>Automotive lubricating greases are widely utilized in automobiles, making them frequently encountered trace evidence in incidents involving a vehicle's collision with another vehicle, person, animal, or stationary object. Due to their high transferability, lubricating grease can act as valuable corroborative evidence during crime scene investigations. They can assist in establishing a link between the vehicle and the individual (victim or accused) to the crime scene, while also confirming contact between the vehicle and the victim. In this study, 21 brands of automotive lubricating grease samples were analyzed for their identification and differentiation, employing a rapid and non-destructive ATR-FTIR spectroscopic technique combined with chemometrics. ATR-FTIR spectra of all samples were visually examined and categorized into six groups based on their similarities and differences. After visual examination, the training dataset was subjected to chemometric analysis using PCA and SVM tools. PCA was employed to explore trends within the dataset, while SVM classified samples, achieving 97.62 % training accuracy and 88.09 % external validation accuracy. To ensure an unbiased validation of the SVM model, the training and validation datasets were comprised of a distinct set of spectra. A blind test validated the SVM model, resulting in 100 % prediction accuracy. Additionally, a study was performed to evaluate how substrate type, storage conditions, and storage duration could affect the linking of the substrate grease samples to their source. The findings revealed that the above-mentioned factors, particularly sunlight exposure and the washing of the substrate grease samples, significantly influence the SVM prediction accuracy.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"45 ","pages":"Article 100670"},"PeriodicalIF":2.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144169950","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

Improving inter-laboratory comparability of tooth enamel carbonate stable isotope analysis (δ13C, δ18O) 提高牙釉质碳酸盐稳定同位素分析（δ13C, δ18O）的实验室间可比性

IF 2.6 3区医学

Forensic Chemistry Pub Date : 2025-09-01 Epub Date: 2025-06-14 DOI: 10.1016/j.forc.2025.100679

Chris Stantis , Lesley A. Chesson , Daniel L. Johnson , Thuan H. Chau , Kirsten A. Verostick , Gregory E. Berg , Gabriel J. Bowen

{"title":"Improving inter-laboratory comparability of tooth enamel carbonate stable isotope analysis (δ13C, δ18O)","authors":"Chris Stantis , Lesley A. Chesson , Daniel L. Johnson , Thuan H. Chau , Kirsten A. Verostick , Gregory E. Berg , Gabriel J. Bowen","doi":"10.1016/j.forc.2025.100679","DOIUrl":"10.1016/j.forc.2025.100679","url":null,"abstract":"<div><div>Carbon and oxygen isotope ratios of human tooth enamel carbonate are frequently used for reconstruction of past diet, movement, and environmental conditions. Despite a long legacy of research, samples are prepared and analyzed using a remarkably broad range of protocols, and this methodological heterogeneity raises questions about the comparability of isotopic data across studies. We report a systematic comparison of isotope delta (δ) values for 10 “modern” faunal teeth (obtained from field recoveries) measured in two different laboratories. Our tests included comparisons of enamel powder subsamples that were chemically pretreated using commonly adopted protocols and subsamples that received no pretreatment. We also evaluated δ values generated with and without (1) standardizing the reaction temperature used for sample acidification and (2) baking the samples and vials to remove moisture before analysis. The results showed that δ values from the two laboratories were systematically different when samples were chemically pretreated, but that differences were smaller or negligible for untreated samples. Standardization of acid reaction temperature and baking also improved comparability. We suggest that the widely adopted practice of chemical pretreatment of enamel samples is largely unnecessary and may compromise the accuracy of stable isotope analyses.</div><div><strong>Technology Readiness Level</strong>: TRL 4.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"45 ","pages":"Article 100679"},"PeriodicalIF":2.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144338893","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

Analytical identification of ergot alkaloids in Ipomoea species: Resolving historical, forensic, and legal ambiguities 麦角生物碱的分析鉴定：解决历史、法医和法律上的歧义

IF 2.6 3区医学

Forensic Chemistry Pub Date : 2025-09-01 Epub Date: 2025-07-18 DOI: 10.1016/j.forc.2025.100686

Enrico Greco , Andrea Farci , Fiorella Florian , Alberto Pallavicini , Alessandro Miani , Pierluigi Barbieri , Giorgio Samorini

{"title":"Analytical identification of ergot alkaloids in Ipomoea species: Resolving historical, forensic, and legal ambiguities","authors":"Enrico Greco , Andrea Farci , Fiorella Florian , Alberto Pallavicini , Alessandro Miani , Pierluigi Barbieri , Giorgio Samorini","doi":"10.1016/j.forc.2025.100686","DOIUrl":"10.1016/j.forc.2025.100686","url":null,"abstract":"<div><div>This study addresses the longstanding taxonomic confusion between two plant species within the Convolvulaceae family: <em>Ipomoea tricolor</em> Cav. and <em>Ipomoea violacea</em> L., historically mistaken as synonymous. Employing advanced analytical methods including LC-MS/MS (Orbitrap), coupled with genetic barcoding, we provide clear biochemical differentiation between the two species based on the presence or absence of psychoactive ergoline alkaloids. Our analyses confirm that seeds of <em>I. tricolor</em> consistently contain significant levels of psychoactive compounds structurally similar to LSD, while <em>I. violacea</em> seeds lack these alkaloids entirely. This distinction is critical, as current legislative documents frequently misclassify non-psychoactive <em>I. violacea</em> as a controlled substance, inadvertently omitting the psychoactive <em>I. tricolor</em>. The analytical method is robust and precise, providing an effective forensic tool for the accurate identification of these botanically similar but chemically distinct species. Correct taxonomic and biochemical identification of these plants is essential to law enforcement and policy-makers for accurate legal scheduling and preventing regulatory misinterpretation regarding plant-derived psychoactive substances.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"45 ","pages":"Article 100686"},"PeriodicalIF":2.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144665694","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 : 2025-09-01 Epub 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":"2025-09-01","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

Machine learning-enhanced traceability and particle analysis of pyrotechnic post-explosion residues using SEM/EDS 机器学习增强了烟火爆炸后残留物的可追溯性和颗粒分析

IF 2.6 3区医学

Forensic Chemistry Pub Date : 2025-09-01 Epub Date: 2025-07-17 DOI: 10.1016/j.forc.2025.100685

Xing Li , Zhen-Wen Sun , Yan-Wu Yu , Gao-Qin Zhang , Guan-Nan Zhang , Yao Liu

{"title":"Machine learning-enhanced traceability and particle analysis of pyrotechnic post-explosion residues using SEM/EDS","authors":"Xing Li , Zhen-Wen Sun , Yan-Wu Yu , Gao-Qin Zhang , Guan-Nan Zhang , Yao Liu","doi":"10.1016/j.forc.2025.100685","DOIUrl":"10.1016/j.forc.2025.100685","url":null,"abstract":"<div><div>Mordern techniques such as spectroscopic and chromatographic techniques have advanced pyrotechnic precursor analysis, yet the forensic investigation methods of post-detonation residues remains limited, thereby constraining the identification of explosive sources. Pyrotechnic post-explosion residues (PPERs) retain stoichiometric signatures that can be linked to precursor formulations through machine learning-enhanced scanning electron microscopy / energy-dispersive X-ray spectroscopy (SEM/EDS) analysis, offering a foundation for further forensic study. This study presents a systematic approach to PPERs analysis with three key components: (1) the development of a test vessel and particles collection system for PPERs; (2) the employment of an automated SEM/EDS protocol incorporating the Particle X Perception System for high-throughput elemental and morphological characterization (15,000–38,000 particles per sample), and a data pretreatment analytical protocol that included morphometric screening criteria and multivariate statistical methods; (3) the construction of a machine learning framework integrating t-distributed Stochastic Neighbor Embedding (t-SNE) for dimensionality reduction and Random Forest Regression (RFR) for predictive modeling. The hybrid model demonstrated excellent clustering performance (Normalized Mutual Information (NMI) > 0.80) and high predictive accuracy (R<sup>2</sup> > 0.95, Root Mean Squared Error (RMSE) < 0.07), supporting the potential for pyrotechnical traceability from SEM/EDS data of PPERs.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"45 ","pages":"Article 100685"},"PeriodicalIF":2.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144685991","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 Epub Date: 2025-05-22 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

Characterization and classification of organic gunshot residue from neat smokeless powder, cartridge cases, and the hands of known shooters 从干净的无烟火药、弹壳和已知射手的手中提取的有机射击残留物的特征和分类

IF 2.6 3区医学

Forensic Chemistry Pub Date : 2025-09-01 Epub Date: 2025-07-01 DOI: 10.1016/j.forc.2025.100683

Thomas D. Ledergerber , Liliana Barbosa , Kourtney Dalzell , Luis Arroyo , Tatiana Trejos

{"title":"Characterization and classification of organic gunshot residue from neat smokeless powder, cartridge cases, and the hands of known shooters","authors":"Thomas D. Ledergerber , Liliana Barbosa , Kourtney Dalzell , Luis Arroyo , Tatiana Trejos","doi":"10.1016/j.forc.2025.100683","DOIUrl":"10.1016/j.forc.2025.100683","url":null,"abstract":"<div><div>This study encompasses the detection, characterization, and classification of organic gunshot residue (OGSR) through the analysis of three forensically relevant sample types, including neat smokeless powders recovered from live ammunition, extracts from fired cartridge cases, and the hands of known shooters. Liquid chromatography-tandem mass spectrometry is used as an analytical tool for five manufacturer-grade ammunition brands. The relative detection and quantification of Akardite II, ethyl centralite, methyl centralite, diphenylamine, 2-nitrodiphenylamine, and 4-nitrodiphenylamine is used for chemical characterization and to reveal main chemical changes during deflagration. Classification via discriminant analysis methods is effective for neat smokeless powders and spent cartridge cases, reaching correct classification rates as high as 83.7 %. Alternative chemometric techniques, including k-nearest neighbors and support vector machine algorithms, are more appropriate for residues recovered from the shooter's hands that exhibit greater inter-sample variability. The more challenging traces of hand residues yield correct classification rates of up to 62.7 %, partly due to significant changes in the formation of nitro-diphenylamines and Akardite II in some organic gunshot residue. The findings presented in this study demonstrate that analyzing OGSR can offer valuable insights into the discrimination of manufacturer-spent cartridges and, to some extent, hand residues, assisting in forensic investigations and shooting reconstructions when limited evidence is available.</div></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"45 ","pages":"Article 100683"},"PeriodicalIF":2.6,"publicationDate":"2025-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144534856","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