Gleicielle Tozzi Wurzler , Ananda da Silva Antonio , Cecília de Andrade Bhering , Aline Machado Pereira Ajuz , Diego Rissi Carvalhosa , Antônio Celso Jardim , Marc Yves Chalom , Francisco Radler de Aquino Neto , Gabriela Vanini
{"title":"Fast high-resolution mass spectrometry in the triage investigation of poisonings by pesticides in unusual samples - a case study","authors":"Gleicielle Tozzi Wurzler , Ananda da Silva Antonio , Cecília de Andrade Bhering , Aline Machado Pereira Ajuz , Diego Rissi Carvalhosa , Antônio Celso Jardim , Marc Yves Chalom , Francisco Radler de Aquino Neto , Gabriela Vanini","doi":"10.1016/j.forc.2024.100555","DOIUrl":"10.1016/j.forc.2024.100555","url":null,"abstract":"<div><p>Pesticides play a pivotal role in the development of agriculture, as they prevent the proliferation of pests and disease vectors in crops. However, there are several controversies regarding their use, as some are highly toxic to humans and frequently used illegally as chemical weapons. In this study, two criminal cases of alleged pesticide poisoning were investigated to establish whether there was an attempted murder (Case 1) and to determine the cause of death (Case 2). A sample of gastric content (Case 1) was extracted with QuEChERS salts, whereas the samples of Case 2, which include hair, nail and an aliquot of gastric contents were analysed without previous extraction. All samples (extracted and unextracted) from Case 1 were analysed by ESI and DART ionization using an Orbitrap mass spectrometer. Case 2 samples were analysed using only DART-HRMS, due to the limited sample available. The ESI-HRMS technique did not detect pesticides in the unextracted gastric content. However, terbufos and terbufos sulfoxide were identified in the gastric content extract. On the other hand, DART-HRMS confirmed the presence of terbufos sulfoxide and carbofuran in the unextracted gastric content and detected carbofuran in the nail sample. The hair sample exhibit no positive results for any exogenous substance. The results suggest that both techniques efficiently provide insight for further confirmatory analysis in the elucidation of forensic cases. However, the DART source seems to be an approach that circumvents the need for pre-treatment of solid and liquid samples.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100555"},"PeriodicalIF":2.7,"publicationDate":"2024-01-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170924000079/pdfft?md5=5e3e6b918a0a65363367930ca47bdb26&pid=1-s2.0-S2468170924000079-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139578565","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Lauryn E. DeGreeff , Christopher K. Katilie , Caitlin E. Sharpes , Michele N. Maughan , Jenna D. Gadberry , Patrick L. Nolan , Nathaniel Hall , Barry Magner , Eric M. Best , Emma Calabrese , Fantasia Whaley , Mark Hammond , Patricia E. Buckley
{"title":"Evaluation of non-detonable canine training aids for explosives by headspace analysis and canine testing","authors":"Lauryn E. DeGreeff , Christopher K. Katilie , Caitlin E. Sharpes , Michele N. Maughan , Jenna D. Gadberry , Patrick L. Nolan , Nathaniel Hall , Barry Magner , Eric M. Best , Emma Calabrese , Fantasia Whaley , Mark Hammond , Patricia E. Buckley","doi":"10.1016/j.forc.2024.100553","DOIUrl":"10.1016/j.forc.2024.100553","url":null,"abstract":"<div><p>There is a need for non-detonable training aids to enable training of canines when access to true material is limited. A disadvantage of non-detonable training aids is the lack of third-party independent verification and validation to certify the efficacy of the aid to yield a detection capability to true material. The goal of this research is to guide the development of a pipeline for the evaluation of commercial off-the-shelf (COTS) or novel training aids by using both analytical analysis as well as canine olfactory testing. Headspace analysis was carried out for nitrated explosive training aids, RDX and PETN, as well as peroxide explosives, HMTD and TATP. Batch-to-batch reproducibility and usage lifetime mimicking operational usage, were also assessed for peroxide explosive aids. As a result of the analytical analysis, various issues were identified such as limitations of explosive component detection, presence of extraneous odors, dynamic headspaces, and both inter- and intra- batch variability. A single TATP training aid was selected to be tested in a proof-of-concept canine assessment which compared canines trained using true material in their ability to detect the training aid in question and a set of canines trained solely with a COTS training aid in their ability to detect true material. It took the canines collectively nearly 21 trials of exposures to true TATP before all canines trained with the non-detonable training aid were able to detect the true TATP with a 100% detection rate, highlighting the importance of analytical characterization of non-detonable training aids paired with canine validation studies.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100553"},"PeriodicalIF":2.7,"publicationDate":"2024-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170924000055/pdfft?md5=97d48c0ef09d07d1ad654442c71781d9&pid=1-s2.0-S2468170924000055-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139578641","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Estimating blood volume on dried blood spots","authors":"Sung-Hee Seo, Stuart Batterman","doi":"10.1016/j.forc.2024.100552","DOIUrl":"10.1016/j.forc.2024.100552","url":null,"abstract":"<div><p>Archived dried blood spots (DBSs) collected by newborn screening programs represent a potentially valuable resource for assessing chemical exposure of newborns. Moreover, collection, storage, and transport of DBSs are easier and cheaper than standard venipuncture protocols. However, quantitative exposure assessment requires knowledge of the blood volume, which can vary considerably on DBSs. We present a method to estimate the volume of fresh blood originally deposited on DBSs and update the forensic literature regarding the ratio of fresh blood volume to dry blood weight. The weight of the blood residue is determined using the area and areal density of the DBS corrected by an unused section of the same card. Density is determined by cutting out the DBS, scanning and digitizing the image, and applying a mask to improve consistency. Blood volume is calculated as the product of the residue weight and fresh blood volume/dried blood weight ratio for the age-specific hematocrit level. Tests using DBSs prepared with 30 to 100 µL of blood showed excellent agreement. The method was applied to 352 archived neonatal DBSs dating from 2008 through 2023. The estimated fresh blood volume averaged 98 µL, close to the expected value, and followed a lognormal distribution (range: 28 to 199 µL); no differences were found for sex or DBS age. The proposed approach is simple, accurate, and inexpensive, and can facilitate the use of archived DBSs for quantitative and retrospective exposure assessment. Additionally, it is applicable for forensic applications examining bloodstains on cloth, paper, and other materials.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100552"},"PeriodicalIF":2.7,"publicationDate":"2024-01-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170924000043/pdfft?md5=391d0a21c98c409eb78c8519739ba59b&pid=1-s2.0-S2468170924000043-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139578556","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Zehong Li , Yan Shi , Ziyi Li , Junbo Zhao , Xin Wang , Kuadou Wang , Mengxiang Su , Ping Xiang
{"title":"Separation and identification of the synthetic cathinone isomers dipentylone and N-ethylpentylone using chromatographic and mass spectral characteristics","authors":"Zehong Li , Yan Shi , Ziyi Li , Junbo Zhao , Xin Wang , Kuadou Wang , Mengxiang Su , Ping Xiang","doi":"10.1016/j.forc.2024.100551","DOIUrl":"10.1016/j.forc.2024.100551","url":null,"abstract":"<div><p>Synthetic cathinone isomers exhibit very similar structure and physicochemical properties, which makes them unable to be effectively separated and identified, therefore increasing the likelihood of misidentification. In this study, the chromatographic and mass spectral characteristics of a sample by gas chromatography-mass spectrometry (GC–MS) were highly like those of <em>N-</em>ethylpentylone. The powder, however, was finally identified as dipentylone (also known as <em>N, N</em>-dimethylpentylone) by high performance liquid chromatography-linear ion trap-orbitrap mass spectrometry (HPLC-LTQ-Orbitrap-MS) and nuclear magnetic resonance (NMR). Because of the possibility of misidentification, the collision-induced dissociation (CID) and electron ionization (EI) pathways of dipentylone and its isomer <em>N-</em>ethylpentylone were further examined to assist forensic laboratories in identifying the synthetic cathinone isomers in their case work. The separation of the two isomers was successfully achieved through ultra-high performance liquid chromatography-mass spectrometry (UHPLC-MS/MS). These results demonstrate that the methods developed in this study can be used to separate and identify the two isomers.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100551"},"PeriodicalIF":2.7,"publicationDate":"2024-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170924000031/pdfft?md5=817b719b8dcc504d4daa4776a0a62754&pid=1-s2.0-S2468170924000031-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139510483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Walter B. Wilson , Aaron A. Urbas , Maryam Abdur-Rahman , Arianna Romares , Ewelina Mistek-Morabito
{"title":"Determination of Δ9-THC, THCA, Δ8-THC, and total Δ9-THC in 53 smokable hemp plant products by liquid chromatography and photodiode array detection","authors":"Walter B. Wilson , Aaron A. Urbas , Maryam Abdur-Rahman , Arianna Romares , Ewelina Mistek-Morabito","doi":"10.1016/j.forc.2024.100550","DOIUrl":"https://doi.org/10.1016/j.forc.2024.100550","url":null,"abstract":"<div><p>The passage of the 2018 Farm Bill defined hemp as cannabis plant containing 0.3 % or less of Δ<sup>9</sup>-THC, which led to a large increase in hemp production in the United States in 2021. Approximately 76 % of it focused on floral hemp that is used to produce hemp-derived finished products such as smokable hemp (<em>e.g.</em>, manicured, roll your own, or cigarettes). As a result, forensic laboratories have seen a significant increase in confiscated cannabis samples, but few reliable analytical methods exist for differentiation between hemp and marijuana. In response to the need for reliable quantitative methods, the National Institute of Standards and Technology (NIST) has developed and evaluated analytical methods to provide forensic scientists the tools necessary. In this manuscript, 53 smokable hemp plant products were analyzed for Δ<sup>8</sup>-THC, Δ<sup>9</sup>-THC, THCA, and total Δ<sup>9</sup>-THC by a previously established liquid chromatography with photodiode array detection (LC-PDA) method using a methanol extraction procedure. Over 90 % of the samples analyzed by NIST were determined to have a total Δ<sup>9</sup>-THC mass fraction above 0.3 % even though samples were being marketed as hemp. Surprisingly, often the associated online documentation reported total Δ<sup>9</sup>-THC mass fractions of ≥ 0.3 %. Mass fractions determined by NIST were compared with manufacturer’s online documentation for 22 samples. Measurements differed by ≈ 55 % for total Δ<sup>9</sup>-THC, ≈ 68 % for THCA, and ≈ 18 % for Δ<sup>9</sup>-THC. Poor agreement may result from method difference, sample inhomogeneity, batch to batch variability, changes due to storage conditions, and/or product labels or online documentation that are not representative of actual products.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100550"},"PeriodicalIF":2.7,"publicationDate":"2024-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S246817092400002X/pdfft?md5=c81c69350faf136b9ffa629ac631f0d9&pid=1-s2.0-S246817092400002X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139406438","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Raman spectroscopy to determine the time since deposition of heated bloodstains","authors":"Alexis P. Barber, Alexis R. Weber, Igor K. Lednev","doi":"10.1016/j.forc.2024.100549","DOIUrl":"10.1016/j.forc.2024.100549","url":null,"abstract":"<div><p>At the scene of violent crimes, bloodstain evidence is one of the most frequently found and valuable types of evidence. Determining the time since deposition (TSD) can allow for investigators to draw conclusions as to when a crime occurred. In this proof-of-concept study Raman spectroscopy paired with chemometrics were utilized for the prediction of TSD for bloodstains aged under an extreme thermal environment (55 °C) up to 48 h post deposition. This temperature was chosen to represent an internal condition of a vehicle left in direct sunlight. It was found that peripheral bloodstains degraded at a faster rate when exposed to an extreme thermal environment than when aged under ambient conditions. TSD quantitative predictions were accomplished through the creation of two classification models.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100549"},"PeriodicalIF":2.7,"publicationDate":"2024-01-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170924000018/pdfft?md5=540dea89138ed30984ee161f92f7e441&pid=1-s2.0-S2468170924000018-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139411350","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"A survey of soil elemental variability in Singapore parks for forensic purposes","authors":"Melissa Liau, Jolene Low, Khee Nguen Low, Thiam Bon Lim","doi":"10.1016/j.forc.2023.100548","DOIUrl":"10.1016/j.forc.2023.100548","url":null,"abstract":"<div><p>Soil, as a surviving trace after contact and transfer between contacting surfaces at a crime scene, can be recovered and analyzed to infer the presence of persons or tools at the scene and prior activity leading to its deposition. With its vast diversity and heterogeneity, it varies in composition from place to place, providing a basis for trace examiners to distinguish visually similar-colored soils. Unlike countries with native topsoil, Singapore’s urban lands are commonly filled with man-altered and man-transported soil, with relatively little known about the variations of soil’s characteristics within a small, localized area. The current study surveyed the soil’s elemental variability in Singapore parks, which are green spaces for public leisure use. Past installations of recreational facilities and landscaping with fast-growing vegetation in parks inevitably cause disturbance to the original natural soil and mixing with extraneous soil, further contributing to the heterogeneity of the park’s topsoil composition. In our sampling approach, visually similar-colored surface soils were collected from within a 1-m<sup>2</sup> site, sites in proximity within a park, and parks across Singapore. The collected soils were dried and sieved into clay- and silt-size fractions for elemental analysis using WDXRF and SEM/EDS. To examine the extent of the spatial elemental variability, we adopted three-sigma interval match criteria and a discriminative model incorporating relative data, square root values and the Canberra distance measure for data processing and pairwise comparison of soil samples. The study also aimed to develop soil databases encompassing soils across Singapore with the intent of understanding the value of soil evidence within a local context.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100548"},"PeriodicalIF":2.7,"publicationDate":"2023-12-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S246817092300084X/pdfft?md5=accca9fd42ad6ab051dbbb39e264af21&pid=1-s2.0-S246817092300084X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138717257","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jared Estevanes, J. Tyler Davidson, Geraldine Monjardez
{"title":"Investigating the combined capability of confocal Raman microscopy and direct analysis in real time-mass spectrometry (DART-MS) for the analysis of intact explosives","authors":"Jared Estevanes, J. Tyler Davidson, Geraldine Monjardez","doi":"10.1016/j.forc.2023.100544","DOIUrl":"10.1016/j.forc.2023.100544","url":null,"abstract":"<div><p>The identification of organic and inorganic components used to produce homemade explosives (HMEs) remains a challenge for forensic analysts due to their diverse physicochemical properties that require different instrumentation. This study aims to explore the combined use of direct analysis in real time-mass spectrometry (DART-MS) and Raman microscopy to provide a rapid and reliable analysis of a variety of intact explosives with minimal sample preparation, including 2,4,6-trinitrotoluene (TNT), pentaerythritol tetranitrate (PETN), seven inorganic oxidizing salts, and five smokeless powder constituents. While both techniques were well-suited for the analysis of TNT and PETN, DART-MS had the advantage of being more sensitive compared to Raman spectroscopy for the identification of the organic components contained in smokeless powder. Even though the identification of ammonium-based salts using DART-MS could be achieved, the analysis of low-volatility compounds, such as the inorganic oxidizing salts, was more straightforward with Raman microscopy and did not require sample preparation. This study demonstrates the benefits and limitations of combining Raman microscopy and DART-MS for the analysis of intact explosives and precursors. Using this combined approach enabled the rapid identification of various organic and inorganic explosives and precursors with minimal sample preparation.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100544"},"PeriodicalIF":2.7,"publicationDate":"2023-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170923000802/pdfft?md5=e2aeb51984d880bb850a97c0a40a0323&pid=1-s2.0-S2468170923000802-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138630863","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Clément Martin , Marta Malevic , François Verheggen
{"title":"On the styx bank - characterization of the headspace cadaveric volatiles released by submerged decaying rats","authors":"Clément Martin , Marta Malevic , François Verheggen","doi":"10.1016/j.forc.2023.100542","DOIUrl":"10.1016/j.forc.2023.100542","url":null,"abstract":"<div><p>The cadaveric volatilome of terrestrial decomposition, including buried corpses, has been extensively studied in recent taphonomic research. However, there has been comparatively less attention given to the volatile organic compounds associated with submerged vertebrate remains. This decaying process is distinct, as evidenced by the succession of decay stages that significantly differ from terrestrial decomposition. Indeed, five stages can be delineated: fresh, early floating, floating decay, deterioration, and sunken remains. Due to the unique nature of underwater decomposition, we anticipate the release of different cadaveric volatiles from submerged remains. In this study, we characterize the volatile compounds emitted during underwater decomposition and that reach the surface. Rat cadavers were placed individually in glass chambers filled with water. The volatiles released at the surface were subsequently collected three times per week over the course of a month. Two types of water, fresh and marine, were used to assess the potential influence of the salinity level on the cadaveric volatilome. A total of 33 volatile compounds were identified, with the majority having previously been reported in the headspace of cadavers undergoing decomposition in a terrestrial environment. Among these compounds, those containing sulfur were the most abundant, with dimethyl disulfide being the major one. Our findings did not reveal any discernible impact of salinity levels on the volatile profile, which was, however, affected by the specific decaying stage. Notably, 3-methyl-indole emerged as a promising candidate for distinguishing between the first two stages of decomposition and the subsequent third stage.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100542"},"PeriodicalIF":2.7,"publicationDate":"2023-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170923000784/pdfft?md5=bb33636cea448f6adc2b56ef8ba303cf&pid=1-s2.0-S2468170923000784-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138547799","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ryan M. Bain, Kelli A. Simon, Michelle Clarke, Douglas J. Klapec
{"title":"Nitrate ester derivatization for the generation of structurally informative ions via gas chromatography-mass spectrometry","authors":"Ryan M. Bain, Kelli A. Simon, Michelle Clarke, Douglas J. Klapec","doi":"10.1016/j.forc.2023.100543","DOIUrl":"10.1016/j.forc.2023.100543","url":null,"abstract":"<div><p>Forensic investigations of explosives in post-blast and trace scenarios often utilize gas chromatography-mass spectrometry (GC–MS). Many high explosives (<em>e.g.,</em> trinitrotoluene) provide structurally significant ions so that a compound can be confidently identified by GC–MS; however, GC–MS only provides functional group identification for the presence of nitrate esters (<em>e.g.,</em> nitroglycerin (NG)), a class of high explosives that is frequently encountered in forensic casework. Nitrate esters vary drastically and are much more accurately identified by their component alcohol structure rather than merely the detection of the nitrate and nitrite ions. Herein, we demonstrate a two-step derivatization reaction requiring no purification steps or advanced sample preparation and characterize several of the reaction byproducts created along with the desired reaction product. In this process, nitrate esters are initially reduced to their component alcohol, and then subsequently silylated. The resulting product, when submitted to GC–MS with positive ion mode chemical ionization, provides mass spectra that characterizes the component alcohol by the pseudo-molecular ion of the reaction product. GC–MS with negative ion mode chemical ionization confirms the presence of a nitrate functional group by the characterization of the unreacted starting material. These results combine to identify nitrate esters in forensic settings, and as a proof of concept, we demonstrate the applicability of the derivatization reaction to pentaerythritol tetranitrate (PETN), NG, and erythritol tetranitrate (ETN) standards, as well as a formulated composition containing PETN-SEMTEX 1A, homemade ETN, and post-burn samples.</p></div>","PeriodicalId":324,"journal":{"name":"Forensic Chemistry","volume":"37 ","pages":"Article 100543"},"PeriodicalIF":2.7,"publicationDate":"2023-12-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2468170923000796/pdfft?md5=01e9348bd7dc3cbf5d606562e20c04f3&pid=1-s2.0-S2468170923000796-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138533500","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"医学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}