A collaborative platform for novel compound identification - characterization of designer phencyclidines (PCPs) POXP, PTHP, and P2AP

Forensic Chemistry - Tập 34 - Trang 100505 - 2023
Edward Sisco1, Aaron Urbas1
1National Institute of Standards and Technology, Gaithersburg, MD, USA

Tài liệu tham khảo

Barenholtz, 2021, Online surveillance of novel psychoactive substances (NPS): Monitoring Reddit discussions as a predictor of increased NPS-related exposures, Int. J. Drug Policy, 98, 10.1016/j.drugpo.2021.103393 J. Neicun J.C. Yang H. Shih P. Nadella R. van Kessel A. Negri K. Czabanowska C. Brayne A. Roman-Urrestarazu C. Angkurawaranon Lifetime prevalence of novel psychoactive substances use among adults in the USA: Sociodemographic, mental health and illicit drug use correlates. Evidence from a population-based survey 2007–2014 PLoS ONE 15 10 e0241056. Krotulski, 2020, Sample Mining and Data Mining: Combined Real-Time and Retrospective Approaches for the Identification of Emerging Novel Psychoactive Substances, J. Forensic Sci., 65, 550, 10.1111/1556-4029.14184 Dargan, 2021 2021 Year in Review, NPS Discovery, Center for Forensic Science Research and Education (CFSRE), 2021. https://www.npsdiscovery.org/ (accessed October 4, 2022). RESPONSE, (n.d.). https://www.policija.si/apps/nfl_response_web/seznam.php (accessed October 4, 2022). Klemenc, 2017, Chemical characterizations and reporting of new psychoactive substances – RESPONSE project methodologies, European Project RESPONSE Pulver, 2022, The ADEBAR project: European and international provision of analytical data from structure elucidation and analytical characterization of NPS, Drug Test. Anal., 14, 1491, 10.1002/dta.3280 Projekt ADEBAR <i>plus<i>: The project, (n.d.). https://www.projekt-adebar.eu/index.php?id=12 (accessed October 4, 2022). Guillou, 2018, Collaboration of the Joint Research Centre and European Customs Laboratories for the Identification of New Psychoactive Substances, Curr Pharm Biotechnol., 19, 91, 10.2174/1389201019666180523122717 Urbas, 2018, NPS Data Hub: A web-based community driven analytical data repository for new psychoactive substances, Forensic, Chemistry, 9, 76 E. Sisco, A.S. Moorthy, S.S. Tennyson, R. Corzo, NIST/NIJ DART-MS Data Interpretation Tool, (2021) 1 files, 373.6 MB. https://doi.org/10.18434/MDS2-2448. E. Sisco, A.S. Moorthy, NIST DART-MS Forensics Database (is-CID), (2020) 5 files, 124.1 MB. https://doi.org/10.18434/MDS2-2313. Harris, 2008, International Union of Pure and Applied Chemistry Physical and Biophysical Chemistry Division, Further conventions for NMR shielding and chemical shifts (IUPAC Recommendations 2008), Magn Reson Chem., 46, 582, 10.1002/mrc.2225 L. Patiny, NMRDB.org Tools for NMR spectroscopists, NMRDB.Org Tools for NMR Spectroscopists. (n.d.). nmrdb.org (accessed May 5, 2023). W. Robien, CSEARCH / NMRPREDICT-Server, CSEARCH / NMRPREDICT-Server. (n.d.). http://nmrpredict.orc.univie.ac.at/ (accessed May 5, 2023). Mass Spectrometry Data Center, NIST, (n.d.). https://chemdata.nist.gov/ (accessed August 26, 2020). SWGDRUG MS Library, UNited States Department of Justice Drug Enforcement Administration, n.d. https://www.swgdrug.org/ms.htm. E. Sisco, A.A. Urbas, Project REMEDY - Supplemental Information and Data, (2021) 6 files, 126.1 MB. https://doi.org/10.18434/MDS2-2527. Wallach, 2014, Preparation and analytical characterization of 1-(1-phenylcyclohexyl)piperidine (PCP) and 1-(1-phenylcyclohexyl)pyrrolidine (PCPy) analogues, Drug Test. Anal., 6, 633, 10.1002/dta.1468 Eaton, 1983, Geometries and conformational processes in phencyclidine and a rigid adamantyl analog: variable-temperature NMR, x-ray crystallographic, and molecular mechanics studies, J. Med. Chem., 26, 479, 10.1021/jm00358a005 Kolocouris, 2015, 2-Substituted and 2,2-disubstituted adamantane derivatives as models for studying substituent chemical shifts and C-Hax⋯Yax cyclohexane contacts—results from experimental and theoretical NMR spectroscopic chemical shifts and DFT structures, Tetrahedron, 71, 2463, 10.1016/j.tet.2015.01.044 Mass Spectrum Interpreter Version 2, (n.d.). https://chemdata.nist.gov/mass-spc/interpreter/ (accessed February 28, 2022).