TY - JOUR AU - Hadjadj, Rachid AU - Csizmadia, Imre Gyula AU - Qasim, Hadeer Waleed AU - Aljaberi , Dalal Karad Thbayh AU - Viskolcz, Béla AU - Fiser, Béla TI - Monoethanolamine assisted CO2 hydrogenation to methanol – A computational study JF - MOLECULAR CATALYSIS J2 - MOL CATAL VL - 559 PY - 2024 SN - 2468-8231 DO - 10.1016/j.mcat.2024.114091 UR - https://m2.mtmt.hu/api/publication/34829600 ID - 34829600 LA - English DB - MTMT ER - TY - JOUR AU - Reizer, Edina AU - Tokaji, György Marcell AU - Palusiak, Marcin AU - Viskolcz, Béla AU - Fiser, Béla TI - The first step of polycyclic aromatic hydrocarbon growth – A case study of hydrogen abstractions by •H, •OH, and •CH3 radical JF - COMPUTATIONAL AND THEORETICAL CHEMISTRY J2 - COMPUT THEOR CHEM VL - 1234 PY - 2024 PG - 7 SN - 2210-271X DO - 10.1016/j.comptc.2024.114530 UR - https://m2.mtmt.hu/api/publication/34717280 ID - 34717280 LA - English DB - MTMT ER - TY - JOUR AU - Dobó, Máté AU - Dombi, Gergely AU - Köteles, István AU - Fiser, Béla AU - Kis, Csenge AU - Szabó, Zoltán-István AU - Tóth, Gergő TI - Simultaneous Determination of Enantiomeric Purity and Organic Impurities of Dexketoprofen Using Reversed-Phase Liquid Chromatography—Enhancing Enantioselectivity through Hysteretic Behavior and Temperature-Dependent Enantiomer Elution Order Reversal on Polysaccharide Chiral Stationary Phases JF - INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES J2 - INT J MOL SCI VL - 25 PY - 2024 IS - 5 PG - 15 SN - 1661-6596 DO - 10.3390/ijms25052697 UR - https://m2.mtmt.hu/api/publication/34688029 ID - 34688029 N1 - Export Date: 12 April 2024 Correspondence Address: Tóth, G.; Department of Pharmaceutical Chemistry, Hogyes 9, Hungary; email: toth.gergo@semmelweis.hu AB - A reversed-phase high-performance liquid chromatographic (HPLC) method was developed for the simultaneous determination of the potential impurities of dexketoprofen, including the distomer R-ketoprofen. After screening the separation capability of four polysaccharide columns (Lux Amylose-1, Lux Amylose-2, Lux Cellulose-1 and Lux Cellulose-2) in polar organic and in reversed-phase modes, appropriate enantioseparation was observed only on the Lux Amylose-2 column in an acidified acetonitrile/water mixture. A detailed investigation of the mobile phase composition and temperature for enantio- and chemoselectivity showed many unexpected observations. It was observed that both the resolution and the enantiomer elution order can be fine-tuned by varying the temperature and mobile phase composition. Moreover, hysteresis of the retention times and enantioselectivity was also observed in reversed-phase mode using methanol/water mixtures on amylose-type columns. This could indicate that the three-dimensional structure of the amylose column can change by transitioning from a polar organic to a reversed-phase mode, which affects the enantioseparation process. Temperature-dependent enantiomer elution order and rare enthalpic/entropic controlled enantioseparation in the operative temperature range were also observed in reversed-phase mode. To find the best methodological conditions for the determination of dexketoprofen impurities, a full factorial optimization design was performed. Using the optimized parameters (Lux Amylose-2 column with water/acetonitrile/acetic acid 50/50/0.1 (v/v/v) at a 1 mL/min flow rate at 20 °C), baseline separations were achieved between all compounds within 15 min. Our newly developed HPLC method was validated according to the current guidelines, and its application was tested on commercially available pharmaceutical formulations. According to the authors’ knowledge, this is the first study to report hysteretic behavior on polysaccharide columns in reversed-phase mode. LA - English DB - MTMT ER - TY - JOUR AU - Hatvani-Nagy, Alpár Ferencz AU - Hajdu, Viktória AU - Ilosvai, Mária Ágnes AU - Muránszky, Gábor AU - Sikora, Emőke AU - Kristály, Ferenc AU - Daróczi, Lajos AU - Viskolcz, Béla AU - Fiser, Béla AU - Vanyorek, László TI - Bentonite as eco-friendly natural mineral support for Pd/CoFe2O4 catalyst applied in toluene diamine synthesis JF - SCIENTIFIC REPORTS J2 - SCI REP VL - 14 PY - 2024 IS - 1 PG - 9 SN - 2045-2322 DO - 10.1038/s41598-024-54792-5 UR - https://m2.mtmt.hu/api/publication/34656926 ID - 34656926 AB - Toluene diamine (TDA) is a major raw material in the polyurethane industry and thus, its production is highly important. TDA is obtained through the catalytic hydrogenation of 2,4-dinitrotoluene (2,4-DNT). In this study a special hydrogenation catalyst has been developed by decomposition cobalt ferrite nanoparticles onto a natural clay-oxide nanocomposite (bentonite) surface using a microwave-assisted solvothermal method. The catalyst particles were examined by TEM and X-ray diffraction. The palladium immobilized on the bentonite crystal surface was identified using an XRD and HRTEM device. The obtained catalyst possesses the advantageous property of being easily separable due to its magnetizability on a natural mineral support largely available and obtained through low carbon- and energy footprint methods. The catalyst demonstrated outstanding performance with a 2,4-DNT conversion rate exceeding 99% along with high yields and selectivity towards 2,4-TDA and all of this achieved within a short reaction time. Furthermore, the developed catalyst exhibited excellent stability, attributed to the strong interaction between the catalytically active metal and its support. Even after four cycles of reuse, the catalytic activity remained unaffected and the Pd content of the catalyst did not change, which indicates that the palladium component remained firmly attached to the magnetic support's surface. LA - English DB - MTMT ER - TY - JOUR AU - Qasim, Hadeer Waleed AU - Hadjadj, Rachid AU - Viskolcz, Béla AU - Fiser, Béla TI - Stoichiometric reaction and catalytic effect of 2-dimethylaminoethanol in urethane formation JF - PHYSICAL CHEMISTRY CHEMICAL PHYSICS J2 - PHYS CHEM CHEM PHYS VL - 26 PY - 2024 IS - 8 SP - 7103 EP - 7108 PG - 6 SN - 1463-9076 DO - 10.1039/D3CP05800J UR - https://m2.mtmt.hu/api/publication/34576072 ID - 34576072 AB - A computational study of the stoichiometric reaction and catalytic effect of 2-dimethylaminoethanol (DMEA) in urethane formation was performed. LA - English DB - MTMT ER - TY - JOUR AU - Papp, L.A. AU - Hancu, G. AU - Szabó, Z.I. AU - Székely-Szentmiklósi, B. AU - Gáti, T. AU - Fiser, Béla AU - Mazákné Kraszni, Márta AU - Tóth, Gergő TI - Chiral Separation of Vildagliptin by Capillary Electrophoresis—The Study of Enantiomeric Complexation JF - SYMMETRY (BASEL) J2 - SYMMETRY-BASEL VL - 16 PY - 2024 IS - 1 PG - 12 SN - 2073-8994 DO - 10.3390/sym16010017 UR - https://m2.mtmt.hu/api/publication/34448514 ID - 34448514 LA - English DB - MTMT ER - TY - JOUR AU - Mallouhi, Julie AU - Viskolcz, Béla AU - Dorogházi, Emma AU - Fiser, Béla TI - Bond Dissociation Enthalpy as a Tool to Study Urethane Degradation JF - HUNGARIAN MATERIALS AND CHEMICAL SCIENCES AND ENGINEERING J2 - HUNG MATER CHEM SCI ENG VL - 47 PY - 2023 IS - 1 SP - 100 EP - 108 PG - 9 SN - 3004-0000 DO - 10.32974/mse.2022.010 UR - https://m2.mtmt.hu/api/publication/34500772 ID - 34500772 LA - English DB - MTMT ER - TY - JOUR AU - ZAKARAIA, DIMAH AU - Aljaberi , Dalal Karad Thbayh AU - Fiser, Béla AU - Owen, Michael Christopher TI - Investigating Collagen as a Bio-Material by Molecular Dynamics Simulations JF - HUNGARIAN MATERIALS AND CHEMICAL SCIENCES AND ENGINEERING J2 - HUNG MATER CHEM SCI ENG VL - 47 PY - 2023 IS - 1 SP - 118 EP - 127 PG - 10 SN - 3004-0000 DO - 10.32974/mse.2022.012 UR - https://m2.mtmt.hu/api/publication/34500768 ID - 34500768 LA - English DB - MTMT ER - TY - JOUR AU - Lucjuk-Huszár, Kornélia AU - Viskolcz, Béla AU - Garami, Attila AU - Fiser, Béla TI - Machine Learning Assisted Polymer Design and Development JF - Doktorandusz Almanach J2 - Doktorandusz Almanach VL - 2023 PY - 2023 IS - 1 SP - 123 EP - 128 PG - 6 SN - 2939-7294 UR - https://m2.mtmt.hu/api/publication/34498454 ID - 34498454 LA - English DB - MTMT ER - TY - JOUR AU - Hatvani-Nagy, Alpár Ferencz AU - Fiser, Béla AU - Viskolcz, Béla TI - Poliuretán - ásványi anyag prekompozitok reológiai vizsgálata JF - Doktorandusz Almanach J2 - Doktorandusz Almanach VL - 2023 PY - 2023 IS - 1 SP - 64 EP - 69 PG - 6 SN - 2939-7294 UR - https://m2.mtmt.hu/api/publication/34498428 ID - 34498428 LA - Hungarian DB - MTMT ER -