20.500.12556/DKUM-86135 Uporaba UHPLC-HRMS za določanje organskih spojin v vzorcih psihoaktivnih snovi in prehranskih dopolnil magistrsko delo Application of UHPLC-HRMS for determination of organic compounds in samples of psychoactive substances and food supplements Magistrsko delo predstavlja uporabo tekočinske kromatografije ultra visoke ločljivosti, sklopljene z masno spektrometrijo visoke ločljivosti (angl. ultra high performance liquid chromatography – high resolution mass spectrometry, UHPLC-HRMS) za analizo psihoaktivnih snovi in prehranskih dopolnil. Razvili smo metodo za identifikacijo večjega števila organskih snovi. Za določanje organskih snovi v vzorcih je bila uporabljena kombinacija na novo razvite metode UHPLC-HRMS z metodami infrardeče spektroskopije s Fourierovo transformacijo na oslabljen totalni odboj (angl. attenuated total reflectance Fourier-transform infrared spectroscopy, ATR-FTIR), tekočinske kromatografije visoke ločljivosti z detektorjem z nizom diod (angl. high performance liquid chromatography with diode aray detector, HPLC-DAD) in plinske kromatografije, sklopljene z masno spektrometrijo (angl. gas chromatography – mass spectrometry, GC-MS), ki jih uporabljajo v Nacionalnem laboratoriju za zdravje, okolje in hrano (NLZOH). Analizirani so bili trije vzorci psihoaktivnih snovi na osnovi heksahidrokanabinola (angl. hexahydrocannabinol, HHC) in 58 vzorcev prehranskih dopolnil. V vzorcih psihoaktivnih snovi smo identificirali štiri različne nove psihoaktivne snovi (NPS), in sicer HHC, heksahidrokanabinol acetat (angl. hexahydrocannabinol acetate, HHC-O), heksahidrokanabiforol (angl. hexahydrocannabiphorol, HHC-P) in hidroksiheksahidrokanabinol (angl hydroxyhexahydrocannabinol, OH-HHC), ter 37 različnih organskih spojin v vzorcih prehranskih dopolnil. Na Evropski center za spremljanje drog in zasvojenosti z drogami (angl. European Monitoring Centre for Drugs and Drug Addiction, EMCDDA) smo poročali prvo identifikacijo HHC-O v Sloveniji. Pri analizi vzorcev prehranskih dopolnil so bile ugotovljene nepravilnosti pri 15 % analiziranih vzorcev. Problematični so bili predvsem izdelki, kupljeni na spletu, ki so vsebovali zaviralce fosfodiesteraze tipa 5 (angl. phosphodiesterase type 5, PDE5) in njihove derivate ter anorektike, kot je sibutramin. Razvita metoda predstavlja dobro orodje za analize tako psihoaktivnih snovi, katerih proizvodnja se zelo hitro razvija, kot tudi prehranskih dopolnil, ki so na spletu prosto dostopne vsakomur, vendar lahko vsebujejo zdravju škodljive ali celo življenjsko nevarne snovi. Metoda omogoča identifikacijo velikega števila organskih spojin, z uporabo raztopin standardov pa bi z njo lahko v prihodnosti določali tudi vsebnost teh potencialno nevarnih spojin v vzorcih in tako preprečili morebitne zdravstvene zaplete pri njihovi uporabi. The master's thesis presents the use of ultra high performance liquid chromatography – high resolution mass spectrometry (UHPLC-HRMS) for the analysis of psychoactive substances and food supplements. A method for identification of a wide range of organic substances was developed. A combination of the newly developed UHPLC-HRMS method and National laboratory of health, environment and food's (NLZOH) attenuated total reflectance Fourier-transform infrared spectroscopy (ATR-FTIR), high performance liquid chromatography with diode aray detector (HPLC-DAD), and gas chromatography – mass spectrometry (GC-MS) methods was used to determine organic substances in the samples. A total of 3 hexahydrocannabinol (HHC) based psychoactive substance samples and 58 food supplement samples were analysed. We identified 4 different new psychoactive substances (NPS) in the samples of psychoactive substances (HHC, hexahydrocannabinol acetate (HHC-O), hexahydrocannabiphorol (HHC-P), and hydroxyhexahydrocannabinol (OH-HHC)) and 37 different organic compounds in the food supplement samples. The first identification of HHC-O in Slovenia was reported to the European Monitoring Centre for Drugs and Drug Addiction (EMCDDA). The analysis of the food supplement samples revealed irregularities in 15 % of the samples. Products purchased online were particularly problematic as they contained phosphodiesterase type 5 (PDE5) inhibitors and their derivatives, as well as anorectics such as sibutramine. The developed method is a good tool for screening analysis of rapidly evolving psychoactive substances and food supplements, which are freely available online to anyone but may contain harmful or even life-threatening substances. The method allows the identification of a wide range of organic compounds and, by using solutions of standards, could also be used to determine the concentrations of these potentially hazardous compounds in samples, thus preventing potential health complications from their use. UHPLC-HRMS psihoaktivne snovi NPS prehranska dopolnila identifikacija UHPLC-HRMS psychoactive substances NPS food supplements screening true true false [G. Bjelovučić] Slovenski jezik Angleški jezik Magistrsko delo/naloga 2023-10-11 16:40:13 2024-01-03 08:05:46 2024-03-22 04:11:43 0000-00-00 00:00:00 2023 0 Maribor 0 Maribor 1 spletni vir (1 datoteka PDF (XII, 72 f.)) 0000-00-00 NiDoloceno NiDoloceno NiDoloceno 0000-00-00 0000-00-00 0000-00-00 543.544.5:543.632(043.2) 189758979 MAG_Bjelovucic_Gal_2023.pdf MAG_Bjelovucic_Gal_2023.pdf 1 B3B4F1CE7BB40043EC208DF5CF6FD289 89dc44733a063034581cd01b31e91fb330f7af500b7cb19b18bf9ca3c5ea6762 be0723ee-a26a-11ee-9260-00155d000105 https://dk.um.si/Dokument.php?lang=slv&id=175032 Fakulteta za kemijo in kemijsko tehnologijo 0 0 0