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Thermal Decomposition of Cocaine and Methamphetamine Investigated by Infrared Spectroscopy and Quantum Chemical Simulations
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SYSNO ASEP 0544236 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Thermal Decomposition of Cocaine and Methamphetamine Investigated by Infrared Spectroscopy and Quantum Chemical Simulations Author(s) Ferus, Martin (UFCH-W) ORCID, RID
Cassone, G. (IT)
Táborský, V. (CZ)
Heays, Alan (UFCH-W) ORCID, RID, SAI
Petera, Lukáš (UFCH-W) ORCID
Knížek, Antonín (UFCH-W) ORCID, RID, SAI
Kalvoda, T. (CZ)
Bouša, Milan (UFCH-W) RID, ORCID
Šponer, Jiří (BFU-R) RID, ORCID
Šponer, Judit E. (BFU-R) RID, ORCID
Kubelík, Petr (UFCH-W) RID, ORCID
Drápal, J. (CZ)
Stehlík, J. (CZ)
Civiš, Svatopluk (UFCH-W) RID, ORCID, SAISource Title ACS Omega. - : American Chemical Society - ISSN 2470-1343
Roč. 6, č. 22 (2021), s. 14447-14457Number of pages 11 s. Language eng - English Country US - United States Keywords raman-spectroscopy ; gc-ms ; quantitative-analysis ; psychotropic-drugs ; lc-ms ; pyrolysis ; metabolites ; mixtures ; kinetics ; samples Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry Subject RIV - cooperation Institute of Biophysics - Physical ; Theoretical Chemistry R&D Projects EF16_019/0000778 GA MŠMT - Ministry of Education, Youth and Sports (MEYS) Method of publishing Open access Institutional support UFCH-W - RVO:61388955 ; BFU-R - RVO:68081707 UT WOS 000661452700049 EID SCOPUS 85108836118 DOI 10.1021/acsomega.1c01325 Annotation Examination of thermal decomposition of street samples of cocaine and methamphetamine shows that typical products detected in previous studies are accompanied by a wide palette of simple volatile compounds easily detectable by spectral techniques. These molecules increase smoke toxicity and their spectral detection can be potentially used for identification of drug samples by well-controlled laboratory thermolysis in temperature progression. In our study, street samples of cocaine and methamphetamine have been thermolyzed under vacuum over the temperature range of 350-650 degrees C. The volatile products (CO, HCN, CH4, C2H4, etc.) have been monitored by high-resolution Fourier-transform infrared (FTIR) spectrometry in this temperature range. The decomposition mechanism has been additionally examined theoretically by quantum-chemical calculations for the highest temperature achieved experimentally in our study and beyond. Prior to analysis, the street samples have also been characterized by FTIR, Raman spectroscopy, energy-dispersive X-ray spectroscopy, and melting point determination. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2022 Electronic address http://hdl.handle.net/11104/0321266
Number of the records: 1