Počet záznamů: 1
Resolution of isomeric new designer stimulants using gas chromatography - Vacuum ultraviolet spectroscopy and theoretical computations
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SYSNO ASEP 0474866 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Resolution of isomeric new designer stimulants using gas chromatography - Vacuum ultraviolet spectroscopy and theoretical computations Tvůrce(i) Škultéty, L'udovít (MBU-M) ORCID, RID
Fryčák, P. (CZ)
Qiu, CL. (US)
Smuts, J. (US)
Shear-Laude, L. (US)
Lemr, Karel (MBU-M) RID, ORCID
Mao, J.X. (US)
Kroll, P. (US)
Schug, K. A. (US)
Szewczak, A. (US)
Vaught, C. (US)
Lurie, I. (US)
Havlíček, Vladimír (MBU-M) RID, ORCIDZdroj.dok. Analytica Chimica Acta. - : Elsevier - ISSN 0003-2670
Roč. 971, JUNE 8 (2017), s. 55-67Poč.str. 13 s. Jazyk dok. eng - angličtina Země vyd. NL - Nizozemsko Klíč. slova Gas phase absorption ; Time-dependent density functional theory ; Isomeric drugs Vědní obor RIV CB - Analytická chemie, separace Obor OECD Analytical chemistry CEP LO1509 GA MŠMT - Ministerstvo školství, mládeže a tělovýchovy Institucionální podpora MBU-M - RVO:61388971 UT WOS 000400588500007 EID SCOPUS 85017369488 DOI 10.1016/j.aca.2017.03.023 Anotace Distinguishing isomeric representatives of 'bath salts', 'plant food', 'spice', or 'legal high' remains a challenge for analytical chemistry. In this work, we used vacuum ultraviolet spectroscopy combined with gas chromatography to address this issue on a set of forty-three designer drugs. All compounds, including many isomers, returned differentiable vacuum ultraviolet/ultraviolet spectra. The pair of 3- and 4-fluoromethcathinones (m/z 181.0903), as well as the methoxetamine/meperidine/ethylphenidate (m/z 247.1572) triad, provided very distinctive vacuum ultraviolet spectral features. On the contrary, spectra of 4-methylethcathinone, 4-ethylmethcathinone, 3,4-dimethylmethcathinone triad (m/z 191.1310) displayed much higher similarities. Their resolution was possible only if pure standards were probed. A similar situation occurred with the ethylone and butylone pair (m/z 221.1052). On the other hand, majority of forty-three drugs was successfully separated by gas chromatography. The detection limits for all the drug standards were in the 2-4 ng range (on-column amount), which is sufficient for determinations of seized drugs during forensics analysis. Further, state-of-the-art time-dependent density functional theory was evaluated for computation of theoretical absorption spectra in the 125-240 nm range as a complementary tool. Pracoviště Mikrobiologický ústav Kontakt Eliška Spurná, eliska.spurna@biomed.cas.cz, Tel.: 241 062 231 Rok sběru 2018
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