Drug Testing and Analysis最新文献_第7页

Improvement of EPO Transgene Detection From Polymeric Dried Blood Spots for Antidoping Application 用于反兴奋剂应用的聚合干血斑EPO转基因检测方法的改进。

IF 2.7 3区医学

Drug Testing and Analysis Pub Date : 2026-02-01 Epub Date: 2025-11-27 DOI: 10.1002/dta.70008

Alexandre Marchand, Ingrid Roulland, Magnus Ericsson

{"title":"Improvement of EPO Transgene Detection From Polymeric Dried Blood Spots for Antidoping Application","authors":"Alexandre Marchand, Ingrid Roulland, Magnus Ericsson","doi":"10.1002/dta.70008","DOIUrl":"10.1002/dta.70008","url":null,"abstract":"For the past couple of years, black market products have appeared and were confirmed to contain genetic products coding for human erythropoietin (EPO). While being prohibited by the World Anti-Doping Agency (WADA), they could be used to produce endogenously more EPO hormone and hence increase performance. In a previous work, we demonstrated the potential of 20-μL dried blood spots (DBS) to detect the presence of EPO transgene in human blood down to 250 copies (12,500 copies/mL), despite lower sensitivity (30-fold) than in 1-mL fresh blood. As the use of DBS as a collection matrix for antidoping is going to expand in the near future, our aim was to develop and validate a new protocol to improve the sensitivity of gene doping detection from DBS. Three DBS devices were evaluated: polymeric Tasso-M20 (TASSO Inc.) and Mitra (Neoteryx), and cellulosic Protein Saver 903 (Whatman). The best results were achieved with polymeric DBS, and a full validation was performed for the detection of the EPO transgene using Tasso M-20 DBS; 1500 copies/mL were detected in 50% of cases and robust detection was obtained at 5000 copies/mL (100 copies transgene in 20-μL DBS) with the four spots of the Tasso device tested over several weeks. The results confirm that polymeric DBS can be used as an alternative to fresh blood for gene doping detection with high sensitivity simplifying also potential reanalysis in the future.","PeriodicalId":160,"journal":{"name":"Drug Testing and Analysis","volume":"18 2","pages":"230-238"},"PeriodicalIF":2.7,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12861599/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145627320","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}

引用次数: 0

A First Report of the Misuse of a Novel Synthetic Glucocorticoid, 9α-Fluoro-6α-Methylprednisolone in Camel Racing 一种新型合成糖皮质激素9α-氟-6α-甲基强的松龙在骆驼比赛中误用的首次报道。

IF 2.7 3区医学

Drug Testing and Analysis Pub Date : 2026-02-01 Epub Date: 2025-12-12 DOI: 10.1002/dta.70011

Hideaki Ishii, Nicholas John Basgallop, Richard Patrick Kelly, Kenichiro Todoroki, Noura Sultan Alshamsi, Andrew Ronald McKinney

{"title":"A First Report of the Misuse of a Novel Synthetic Glucocorticoid, 9α-Fluoro-6α-Methylprednisolone in Camel Racing","authors":"Hideaki Ishii, Nicholas John Basgallop, Richard Patrick Kelly, Kenichiro Todoroki, Noura Sultan Alshamsi, Andrew Ronald McKinney","doi":"10.1002/dta.70011","DOIUrl":"10.1002/dta.70011","url":null,"abstract":"We report the misuse of a novel synthetic glucocorticoid, 9α-fluoro-6α-methylprednisolone (9F6MP) for the first time in camel racing and, to the best of our knowledge, human or other animal sports. During routine post-race drug testing of cameline plasma samples using liquid chromatography-tandem mass spectrometry we encountered an unknown peak with the same selected reaction monitoring traces as a dexamethasone formate adduct but at a different retention time. The product ion mass spectrum of the unknown peak in negative ion mode was identical to dexamethasone. However, significant differences were observed in positive ion mode. Based on mass spectral analysis, we postulated the unknown peak to be a 6-methyl-16-nor isomer of dexamethasone. Following the procurement of a commercial 9F6MP reference material, the unknown peak was successfully identified as this substance. Interestingly, previous research predicted a high potential for glucocorticoid and anti-inflammatory activity for 9F6MP. However, the therapeutic use of 9F6MP in camels has not been approved by any authorities, and any toxicities and side-effects potentially caused by 9F6MP have not been thoroughly evaluated. Therefore, the misuse of 9F6MP should be strictly controlled for the sake of animal welfare and the integrity of camel racing. The information described in this case report will be beneficial for other anti-doping laboratories in both human and animal sports for the purpose of doping control.\u0000\u0000 <figure>\u0000 <div><picture>\u0000 <source></source></picture>\u0000 </div>\u0000 </figure>","PeriodicalId":160,"journal":{"name":"Drug Testing and Analysis","volume":"18 2","pages":"270-286"},"PeriodicalIF":2.7,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145740192","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

Further Insights Into the Metabolism of LGD-4033 in Human Urine. Part 1. Structure Elucidation of Additional Important Metabolites 人类尿液中LGD-4033代谢的进一步研究第1部分。其他重要代谢物的结构解析。

IF 2.7 3区医学

Drug Testing and Analysis Pub Date : 2026-02-01 Epub Date: 2025-12-09 DOI: 10.1002/dta.70009

Yiannis S. Angelis, Panagiotis Sakellariou, Mario Thevis, Andreas Thomas, Michael Petrou, Emmanuel N. Pitsinos

{"title":"Further Insights Into the Metabolism of LGD-4033 in Human Urine. Part 1. Structure Elucidation of Additional Important Metabolites","authors":"Yiannis S. Angelis, Panagiotis Sakellariou, Mario Thevis, Andreas Thomas, Michael Petrou, Emmanuel N. Pitsinos","doi":"10.1002/dta.70009","DOIUrl":"10.1002/dta.70009","url":null,"abstract":"This study presents LC-HRMS/MS analyses of LGD-4033 post-administration urine samples, following hydrolysis with β-glucuronidase and liquid–liquid extraction, against chemically synthesized molecules that matched previously proposed metabolites, characterized by 1H and 13C NMR. Using this targeted metabolic investigation approach and the direct comparison of retention times and mass spectral data (high-resolution full scan mass accuracy and collision-induced fragmentation patterns), in accordance with WADA's TD2023IDCR provisions, resulted in unambiguous structural elucidation of additional LGD-4033 metabolites, including (a) the epi-long-term dihydroxylated metabolite (M5a); (b) the epi-pyrrolidinone metabolite (M2d); (c) the (R,R)-diastereoisomer of the ring-opened hydroxylated metabolite (M4b); and (d) one of the two detected tris-hydroxylated metabolites (M6a). Additionally, a new, previously undescribed metabolite, which is a hydroxylated derivative of the pyrrolidinone metabolite M2c, was also detected up to 4 days post-administration and coded as M7. Metabolites M5a and M2d are detectable up to 21 days post-administration and can be considered additional long-term markers. These findings expand current knowledge of LGD-4033 metabolism. From a doping control perspective, the proposed synthetic pathways may facilitate the production of reference materials for the detection and identification of a more comprehensive metabolite profile that will increase metabolic certainty in future LGD-4033 adverse analytical findings.","PeriodicalId":160,"journal":{"name":"Drug Testing and Analysis","volume":"18 2","pages":"245-259"},"PeriodicalIF":2.7,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12861595/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145712771","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}

引用次数: 0

Surveillance of Phenibut in Wastewater During a Brazilian Carnival 巴西狂欢节期间废水中苯醚的监测。

IF 2.7 3区医学

Drug Testing and Analysis Pub Date : 2026-02-01 Epub Date: 2025-11-23 DOI: 10.1002/dta.70002

Bruna R. de S. Gomes, Ana Flávia B. de Oliveira, Aline de Melo Vieira, Dhayaalini Nadarajan, Richard Bade, Jandyson M. Santos

{"title":"Surveillance of Phenibut in Wastewater During a Brazilian Carnival","authors":"Bruna R. de S. Gomes, Ana Flávia B. de Oliveira, Aline de Melo Vieira, Dhayaalini Nadarajan, Richard Bade, Jandyson M. Santos","doi":"10.1002/dta.70002","DOIUrl":"10.1002/dta.70002","url":null,"abstract":"Phenibut is a new psychoactive substance (NPS) first synthesized in Russia in 1963 as a derivative of gamma-aminobutyric acid. Originally developed for therapeutic use, it has gained popularity for nonmedical purposes, including recreational and cognitive enhancement. In Brazil, phenibut is uncontrolled and easily purchased online. This study used wastewater-based epidemiology (WBE) to investigate phenibut use patterns in two northeastern Brazilian cities. Composite daily wastewater samples were collected from two treatment plants (WWTPs), Recife (WWTPA) and Olinda (WWTPB), during two periods in 2023: Carnival and a reference week. Samples underwent solid-phase extraction (SPE) and analysis by liquid chromatography–tandem mass spectrometry (LC–MS/MS). Phenibut concentrations were converted to population-normalized mass loads (PNMLs, mg/day/1000 inhabitants). The highest phenibut levels and PNMLs (up to 4.06 mg/day/1000 inhabitants) occurred during Carnival at WWTPA, located in a major tourist area, suggesting recreational use. During the reference week, PNMLs ranged from detection limits to 2.29 mg/day/1000 inhabitants on weekdays, indicating possible functional or cognitive enhancement use. These findings reveal two distinct use patterns: recreational peaks during Carnival weekends and possible functional use on weekdays outside festive periods. This is the first evidence of phenibut detection in Brazilian wastewater and its temporal use patterns. The results highlight WBE's value in monitoring NPS trends and suggest recreational use predominates during large events. This underscores the need for public health attention and regulatory monitoring of uncontrolled substances with abuse potential.","PeriodicalId":160,"journal":{"name":"Drug Testing and Analysis","volume":"18 2","pages":"192-197"},"PeriodicalIF":2.7,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12861594/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145585519","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}

引用次数: 0

Characterization of Novel Enarodustat Metabolites Using Liquid Chromatography–High Resolution Mass Spectrometry for Doping Control Purposes 用液相色谱-高分辨率质谱法检测新型依诺司他代谢产物。

IF 2.7 3区医学

Drug Testing and Analysis Pub Date : 2026-02-01 Epub Date: 2025-11-23 DOI: 10.1002/dta.70007

Jinghua Hou, Lisi Zhang, Zhanliang Wang, Sheng Yang

{"title":"Characterization of Novel Enarodustat Metabolites Using Liquid Chromatography–High Resolution Mass Spectrometry for Doping Control Purposes","authors":"Jinghua Hou, Lisi Zhang, Zhanliang Wang, Sheng Yang","doi":"10.1002/dta.70007","DOIUrl":"10.1002/dta.70007","url":null,"abstract":"<div>\u0000 \u0000 Hypoxia-inducible factor prolyl hydroxylase inhibitors (HIF-PHIs) represent a novel class of therapeutic substances that increase erythropoiesis. Due to their performance-enhancing effects and potential risk of abuse, these agents were added to the World Anti-Doping Agency (WADA) Prohibited List in 2011. Enarodustat is a novel HIF-PHI and has been approved for clinical use in China in 2023. This study primarily aimed to characterize its major urinary metabolites for antidoping purposes. A single oral dose of 40-mg enarodustat was administered to a volunteer. Urine samples were collected over 28 days and processed using solid-phase extraction (SPE). Analytical methods included liquid chromatography-high resolution mass spectrometry (LC-HRMS) under both positive and negative electrospray ionization conditions, complemented by in vitro metabolism studies using human liver microsomes (HLMs) for the characterization and identification of metabolites. A total of eight metabolites were detected, including Phase I products such as parent compound (PC) isomer (M1), monohydroxylation (M2), dihydroxylation (M3), and dehydrogenation (M4) metabolites, as well as Phase II conjugates involving methylation (M5), glycosylation (M6), glucuronidation (M7), and monohydroxylation-sulfation (M8) in vivo. Among these, M3–M5 are novel metabolites. In addition, compared with other metabolites, PC and M2 exhibited longer detection windows, suggesting they are valuable biomarkers for doping control purposes. The study elucidates enarodustat's metabolic pathways and provides a foundation for developing sensitive detection methods. Future work should focus on synthesizing reference materials to identify metabolite structures.\u0000 </div>","PeriodicalId":160,"journal":{"name":"Drug Testing and Analysis","volume":"18 2","pages":"207-221"},"PeriodicalIF":2.7,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145585530","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

Assessing the Effect of Probiotics in the Steroidal Module of the Athlete's Biological Passport 评估运动员生物护照类固醇模块中益生菌的效果。

IF 2.7 3区医学

Drug Testing and Analysis Pub Date : 2026-02-01 Epub Date: 2025-12-04 DOI: 10.1002/dta.70010

Ana Belen Moraleda Merlo, Thomas Piper, Louisa Lobigs, Miguel de Figueiredo, Damien Rhumorbarbe, Mario Thevis, Neil Robinson

{"title":"Assessing the Effect of Probiotics in the Steroidal Module of the Athlete's Biological Passport","authors":"Ana Belen Moraleda Merlo, Thomas Piper, Louisa Lobigs, Miguel de Figueiredo, Damien Rhumorbarbe, Mario Thevis, Neil Robinson","doi":"10.1002/dta.70010","DOIUrl":"10.1002/dta.70010","url":null,"abstract":"<div>\u0000 \u0000 Athletes are increasingly using probiotic supplementation to support their overall health, and it can be particularly beneficial for female athletes in managing recurrent urinary tract infections and bacterial vaginosis. One route of probiotic administration for females is vaginal application, which enables direct modulation of the microbiota. While probiotics are widely recognised for their health benefits, their potential impact on urinary steroidal markers monitored in the Steroidal Module of the Athlete Biological Passport remains unexplored. Given the biological overlap between vaginal and urinary microbiomes, bacteria from vaginal probiotics could transfer into urine samples, potentially altering steroid profiles through microbial enzymatic activity. This study investigates whether vaginal probiotic use, specifically Lactobacillus reuteri and plantaraium, could influence urinary steroid markers relevant to the steroidal passport. In vitro and in vivo approaches were employed to evaluate the potential effects of contamination and variability on key steroidal markers. Analyses of in vitro and in vivo experiments suggest that vaginal probiotics do not substantially affect urinary steroid markers monitored in the Athlete Biological Passport. However, some variations were observed that merit further investigation. These findings contribute to a better understanding of how vaginal probiotics might interfere with doping control results, emphasising the need for further research to ensure accurate interpretation of urine steroidal profiles in the female athlete.\u0000 </div>","PeriodicalId":160,"journal":{"name":"Drug Testing and Analysis","volume":"18 2","pages":"239-244"},"PeriodicalIF":2.7,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145666665","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

Semisynthetic Cannabinoids Detected in Cannabis-Derived Products in Poland: Statistical Overview, Analytical Challenges, and Legal Interpretative Considerations 在波兰大麻衍生产品中检测到的半合成大麻素：统计概述，分析挑战和法律解释考虑。

IF 2.7 3区医学

Drug Testing and Analysis Pub Date : 2026-02-01 Epub Date: 2025-12-12 DOI: 10.1002/dta.70014

Wioleta Wrzesień-Tokarczyk, Karolina Masier, Bogumiła Byrska, Roman Stanaszek, Karolina Sekuła

{"title":"Semisynthetic Cannabinoids Detected in Cannabis-Derived Products in Poland: Statistical Overview, Analytical Challenges, and Legal Interpretative Considerations","authors":"Wioleta Wrzesień-Tokarczyk, Karolina Masier, Bogumiła Byrska, Roman Stanaszek, Karolina Sekuła","doi":"10.1002/dta.70014","DOIUrl":"10.1002/dta.70014","url":null,"abstract":"<div>\u0000 \u0000 Semisynthetic cannabinoids (SSCs) are a novel group of psychoactive substances obtained by chemical modification of phytocannabinoids such as Δ9-THC and CBD. Since 2022, their prevalence has rapidly increased on the European illicit drug market, including Poland, where they are mainly detected in cannabis-derived products (plant material, resinous products, e-liquids, and edibles). In this study, 1186 cannabis-type samples seized in Poland (2022–2024) were analyzed at the IFR using GC-MS, UHPLC-PDA, and LC-QTOF/MS. SSCs were found in 113 samples (9.5%), mostly in plant material and resinous products. The predominant compound was hexahydrocannabinol (HHC), consistently detected as a mixture of two epimers, with (9R)-HHC prevailing (typical (9R):(9S) ratio 2.0–2.8:1). In most cases, SSCs were applied to plant material with low Δ9-THC content, mainly Chemotypes II and III (approximately 60% of all cases), indicating intentional enrichment of material with limited psychoactive potential. Following legislative changes introduced in Poland in 2023, identifications of controlled SSCs decreased; however, the diversity of noncontrolled compounds increased. Co-occurrence of multiple SSCs, their structural similarity, stereoisomerism, and limited availability or delays in obtaining certified reference standards may complicate routine analysis. Each analytical technique presents specific limitations: GC-MS can cause degradation of acetate forms of SSCs; UHPLC-PDA faces challenges in differentiating compounds with similar UV spectra, whereas LC-QTOF/MS cannot fully distinguish structural or stereoisomeric forms. This study highlights the dynamic nature of the SSC market and the importance of advanced, multimethod analytical approaches for reliable identification.\u0000 </div>","PeriodicalId":160,"journal":{"name":"Drug Testing and Analysis","volume":"18 2","pages":"287-302"},"PeriodicalIF":2.7,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145740195","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

Evaluation of an Innovative Portable Heroin Electrochemical Sensor for Empowering Forensic Laboratories 用于法医实验室的新型便携式海洛因电化学传感器的评价。

IF 2.7 3区医学

Drug Testing and Analysis Pub Date : 2026-02-01 Epub Date: 2025-12-09 DOI: 10.1002/dta.70013

Noelia Felipe Montiel, Julia Mazurków, Robin Van Echelpoel, Elise Daems, Margot Balcaen, Eric Deconinck, Filip Van Durme, Karolien De Wael

{"title":"Evaluation of an Innovative Portable Heroin Electrochemical Sensor for Empowering Forensic Laboratories","authors":"Noelia Felipe Montiel, Julia Mazurków, Robin Van Echelpoel, Elise Daems, Margot Balcaen, Eric Deconinck, Filip Van Durme, Karolien De Wael","doi":"10.1002/dta.70013","DOIUrl":"10.1002/dta.70013","url":null,"abstract":"<div>\u0000 \u0000 The increasing misuse of opioids in Europe is an alarming trend, leading to severe social and health consequences. Heroin, a highly potent and addictive opioid, remains the main contributor to the health burden associated with opioid use in the region. Illicit drug characterization and profiling offer valuable insights into the complexity of heroin seizures, assisting law enforcement agencies and forensic experts in gathering evidence for legal proceedings. This study provides a comprehensive overview of the composition of heroin seizures and assesses the feasibility of an electrochemical fingerprint approach for the detection of heroin and its associated components. In the initial phase, the primary focus was on developing an electrochemical sensor optimized for heroin detection. The sensor's performance was validated using street samples provided by Sciensano, a Belgian health institute, ensuring its accuracy and reliability in identifying heroin. Once the capabilities of the sensor were demonstrated, the discrimination of alkaloids and cutting agents in seized samples was integrated into a customized software script. Subsequently, an extensive validation process was conducted using a new dataset of heroin seizures from the Belgian National Institute for Criminalistics and Criminology. The follow-up verification confirmed the sensor's effectiveness in detecting heroin, cutting agents, and alkaloids, highlighting its potential as a valuable tool for drug profiling. This portable, user-friendly device with automatic readout could become essential for forensic experts, law enforcement, and harm reduction efforts in addressing the opioid crisis.\u0000 </div>","PeriodicalId":160,"journal":{"name":"Drug Testing and Analysis","volume":"18 2","pages":"260-269"},"PeriodicalIF":2.7,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145712715","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

Simulation of the Metabolism of New Psychoactive Substances Using Electrochemistry-Mass Spectrometry: Introducing an Innovative Software Tool for Rapid Data Evaluation 使用电化学-质谱法模拟新型精神活性物质的代谢：介绍一种用于快速数据评估的创新软件工具。

IF 2.7 3区医学

Drug Testing and Analysis Pub Date : 2026-02-01 Epub Date: 2025-11-27 DOI: 10.1002/dta.70006

Mark Wesner, Steffen Heuckeroth, Michael Pütz, Uwe Karst

{"title":"Simulation of the Metabolism of New Psychoactive Substances Using Electrochemistry-Mass Spectrometry: Introducing an Innovative Software Tool for Rapid Data Evaluation","authors":"Mark Wesner, Steffen Heuckeroth, Michael Pütz, Uwe Karst","doi":"10.1002/dta.70006","DOIUrl":"10.1002/dta.70006","url":null,"abstract":"An innovative software tool for the rapid and efficient simulation of the metabolism of new psychoactive substances (NPS) was developed, based on the open-source project mzmine, and applied. NPS are compounds designed to mimic the psychotropic effects of established illicit drugs while circumventing drug legislation. These compounds are developed solely regarding their desired effects, thus possibly leading to harmful side effects including the formation of toxic metabolites. Analytical reference standards, needed to carry out metabolic studies, are not immediately available because emerging NPS are primarily discovered subsequent to drug confiscations. Using these confiscated substances in traditional metabolic in vivo or in vitro studies is often not possible due to the substances being impure or being a part of a mixture of different NPS. Therefore, a software tool was developed to streamline the evaluation of data acquired by the online combination of electrochemistry and mass spectrometry for the simulation of NPS metabolism. Using this tool, it is possible to generate mass voltammograms directly from mass spectrometric raw data. Combining this newly implemented tool with existing filtering algorithms in mzmine, we simulated the metabolism of the synthetic cannabinoid receptor agonist (SCRA) methyl 3,3-dimethyl-2-[1-(pent-4-en-1-yl)-1H-indazole-3-carboxamido] butanoate (MDMB-4en-PINACA) from a mixed solution of different NPS. Fragmentation data indicated that one of the transformation products found for MDMB-4en-PINACA is likely of a quinoid structure. The potential formation of this possibly highly reactive quinoid metabolite could be a first hint for possible causes of adverse side effects frequently reported after the recreational use of MDMB-4en-PINACA and related SCRAs.","PeriodicalId":160,"journal":{"name":"Drug Testing and Analysis","volume":"18 2","pages":"222-229"},"PeriodicalIF":2.7,"publicationDate":"2026-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC12861597/pdf/","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145627371","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}

引用次数: 0

CERA Detection and Stability in Blood Versus Urine CERA在血液和尿液中的检测及稳定性。

IF 2.7 3区医学

Drug Testing and Analysis Pub Date : 2026-01-12 Epub Date: 2025-10-21 DOI: 10.1002/dta.3960

Olivier Salamin, Joséphine Chappuis, Lasse V. Bækken, Tiia Kuuranne, Nicolas Leuenberger

{"title":"CERA Detection and Stability in Blood Versus Urine","authors":"Olivier Salamin, Joséphine Chappuis, Lasse V. Bækken, Tiia Kuuranne, Nicolas Leuenberger","doi":"10.1002/dta.3960","DOIUrl":"10.1002/dta.3960","url":null,"abstract":"Erythropoietin receptor agonists (ERAs), including continuous erythropoietin receptor activators (CERAs), are potent blood doping substances used to enhance endurance performance by stimulating erythropoiesis. While traditionally detected through direct analysis of urine or serum samples using sarcosyl-polyacrylamide gel electrophoresis (SAR-PAGE) and western blotting, the slow urinary elimination of third-generation ERAs like CERA has shifted anti-doping strategies toward serum-based detection. This study compared the detectability and stability of CERA in urine and serum matrices and evaluated the added value of combining direct detection with hematological profiling. Using samples from a controlled CERA administration study and an authentic case example, we assessed CERA detection in serum, urine, and simulated dried blood spot (DBS) matrices (Tasso-M20). Additionally, we conducted stability experiments by incubating spiked matrices at 37°C for up to 72 h. Our results confirmed the superior stability and consistent detectability of CERA in serum and DBS compared with urine. Moreover, hematological alterations such as increased reticulocytes percentage flagged by the Athlete Biological Passport (ABP) supported targeted serum testing, leading to the successful detection of CERA. These findings highlight the importance of systematic blood collection for both direct and indirect detection strategies. Furthermore, DBS samples showed promising analytical performance and resistance to elevated temperature, suggesting their utility as minimally invasive alternatives in anti-doping programs. Overall, our study reinforces the relevance of blood matrices in the detection of CERA and advocates for the broader integration of blood-based strategies in targeting doping practices with ERAs.","PeriodicalId":160,"journal":{"name":"Drug Testing and Analysis","volume":"18 1","pages":"16-23"},"PeriodicalIF":2.7,"publicationDate":"2026-01-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://analyticalsciencejournals.onlinelibrary.wiley.com/doi/epdf/10.1002/dta.3960","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145342222","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}

引用次数: 0