Počet záznamů: 1  

Resolution of isomeric new designer stimulants using gas chromatography - Vacuum ultraviolet spectroscopy and theoretical computations

  1. 1. 0474866 - MBU-M 2018 RIV NL eng J - Článek v odborném periodiku
    Škultéty, L'udovít - Fryčák, P. - Qiu, CL. - Smuts, J. - Shear-Laude, L. - Lemr, Karel - Mao, J.X. - Kroll, P. - Schug, K. A. - Szewczak, A. - Vaught, C. - Lurie, I. - Havlíček, Vladimír
    Resolution of isomeric new designer stimulants using gas chromatography - Vacuum ultraviolet spectroscopy and theoretical computations.
    Analytica Chimica Acta. Roč. 971, JUNE 8 (2017), s. 55-67. ISSN 0003-2670
    Grant CEP: GA MŠk(CZ) LO1509
    Institucionální podpora: RVO:61388971
    Klíčová slova: Gas phase absorption * Time-dependent density functional theory * Isomeric drugs
    Kód oboru RIV: CB - Analytická chemie, separace
    Obor OECD: Analytical chemistry
    Impakt faktor: 5.123, rok: 2017

    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.
    Trvalý link: http://hdl.handle.net/11104/0271796