@CONFERENCE{MTMT:34764698, title = {Optimization of Continuous Soft Polyurethane Foam Production Considering Sustainability Parameters}, url = {https://m2.mtmt.hu/api/publication/34764698}, author = {Konyhás, Vivien and Polyákné Kovács, Annamária}, booktitle = {Abstract Book of 4th International Artificial Intelligence and Data Science Congress ICADA 2024}, unique-id = {34764698}, year = {2024}, pages = {41-41}, orcid-numbers = {Polyákné Kovács, Annamária/0000-0003-0873-305X} } @article{MTMT:34743348, title = {Computer Simulation Insights into the Chemical Origins of Life: Can HCN Enrichment on Interstellar Amorphous Ice Be a Starting Point?}, url = {https://m2.mtmt.hu/api/publication/34743348}, author = {Tóth Ugyonka, Helga and Hantal, György and Szőri, Milán and Jedlovszky, Pál}, doi = {10.1021/acsearthspacechem.3c00299}, journal-iso = {ACS EARTH SPACE CHEM}, journal = {ACS EARTH AND SPACE CHEMISTRY}, volume = {8}, unique-id = {34743348}, issn = {2472-3452}, year = {2024}, eissn = {2472-3452}, pages = {520-532}, orcid-numbers = {Hantal, György/0000-0003-4678-1167; Szőri, Milán/0000-0003-4895-0999} } @article{MTMT:34717280, title = {The first step of polycyclic aromatic hydrocarbon growth – A case study of hydrogen abstractions by •H, •OH, and •CH3 radical}, url = {https://m2.mtmt.hu/api/publication/34717280}, author = {Reizer, Edina and Tokaji, György Marcell and Palusiak, Marcin and Viskolcz, Béla and Fiser, Béla}, doi = {10.1016/j.comptc.2024.114530}, journal-iso = {COMPUT THEOR CHEM}, journal = {COMPUTATIONAL AND THEORETICAL CHEMISTRY}, volume = {1234}, unique-id = {34717280}, issn = {2210-271X}, year = {2024}, eissn = {2210-2728}, orcid-numbers = {Fiser, Béla/0000-0003-0603-4626} } @article{MTMT:34688029, title = {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}, url = {https://m2.mtmt.hu/api/publication/34688029}, author = {Dobó, Máté and Dombi, Gergely and Köteles, István and Fiser, Béla and Kis, Csenge and Szabó, Zoltán-István and Tóth, Gergő}, doi = {10.3390/ijms25052697}, journal-iso = {INT J MOL SCI}, journal = {INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES}, volume = {25}, unique-id = {34688029}, issn = {1661-6596}, abstract = {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.}, year = {2024}, eissn = {1422-0067}, orcid-numbers = {Köteles, István/0000-0002-1678-233X; Fiser, Béla/0000-0003-0603-4626; Szabó, Zoltán-István/0000-0002-8740-0212; Tóth, Gergő/0000-0001-5341-319X} } @article{MTMT:34656926, title = {Bentonite as eco-friendly natural mineral support for Pd/CoFe2O4 catalyst applied in toluene diamine synthesis}, url = {https://m2.mtmt.hu/api/publication/34656926}, author = {Hatvani-Nagy, Alpár Ferencz and Hajdu, Viktória and Ilosvai, Mária Ágnes and Muránszky, Gábor and Sikora, Emőke and Kristály, Ferenc and Daróczi, Lajos and Viskolcz, Béla and Fiser, Béla and Vanyorek, László}, doi = {10.1038/s41598-024-54792-5}, journal-iso = {SCI REP}, journal = {SCIENTIFIC REPORTS}, volume = {14}, unique-id = {34656926}, issn = {2045-2322}, abstract = {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.}, keywords = {HYDROGENATION; Ferrite; Magnetic; 2,4-DNT}, year = {2024}, eissn = {2045-2322}, orcid-numbers = {Kristály, Ferenc/0000-0002-0075-5994; Fiser, Béla/0000-0003-0603-4626} } @article{MTMT:34576072, title = {Stoichiometric reaction and catalytic effect of 2-dimethylaminoethanol in urethane formation}, url = {https://m2.mtmt.hu/api/publication/34576072}, author = {Qasim, Hadeer Waleed and Hadjadj, Rachid and Viskolcz, Béla and Fiser, Béla}, doi = {10.1039/D3CP05800J}, journal-iso = {PHYS CHEM CHEM PHYS}, journal = {PHYSICAL CHEMISTRY CHEMICAL PHYSICS}, volume = {26}, unique-id = {34576072}, issn = {1463-9076}, abstract = {A computational study of the stoichiometric reaction and catalytic effect of 2-dimethylaminoethanol (DMEA) in urethane formation was performed.}, year = {2024}, eissn = {1463-9084}, pages = {7103-7108}, orcid-numbers = {Fiser, Béla/0000-0003-0603-4626} } @mastersthesis{MTMT:34548174, title = {Development of Polyurethane-based Nanocomposites to be Applied as Flexible Pressure Sensors}, url = {https://m2.mtmt.hu/api/publication/34548174}, author = {Al-Mandalawi, Mohammed}, unique-id = {34548174}, year = {2024} } @article{MTMT:34533660, title = {Oxyfuel Combustion Makes Carbon Capture More Efficient}, url = {https://m2.mtmt.hu/api/publication/34533660}, author = {Talei, Saeed and Fozer, D. and Varbanov, P.S. and Szanyi, Ágnes and Mizsey, Péter}, doi = {10.1021/acsomega.3c05034}, journal-iso = {ACS OMEGA}, journal = {ACS OMEGA}, volume = {9}, unique-id = {34533660}, issn = {2470-1343}, abstract = {Fossil energy carriers cannot be totally replaced, especially if nuclear power stations are stopped and renewable energy is not available. To fulfill emission regulations, however, points such as emission sources should be addressed. Besides desulfurization, carbon capture and utilization have become increasingly important engineering activities. Oxyfuel technologies offer new options to reduce greenhouse gas emissions; however, the use of clean oxygen instead of air can be dangerous in the case of certain existing technologies. To replace the inert effect of nitrogen, carbon dioxide is mixed with oxygen gas in the case of such air combustion processes. In this work, the features of carbon capture in five different flue gases of air combustion and such oxyfuel combustion where additional carbon dioxide is mixed with clean oxygen are studied and compared. The five different flue gases originate from the gas-fired power plant, coal-fired power plant, coal-fired combined heat and power plant, the aluminum production industry, and the cement manufacturing industry. Monoethanolamine, which is an industrially preferred solvent for carbon dioxide capture from gas streams at low pressures, is selected as an absorbent, and the same amount of carbon dioxide is captured; that is, always that amount of carbon dioxide is captured, which is the result of the fossil combustion process. ASPEN Plus is used for mathematical modeling. The results show that the oxyfuel combustion cases need significantly less energy, especially at high carbon dioxide removal rates, e.g., higher than 90%, than that of the air combustion cases. The savings can even be as high as 84%. Moreover, 100% carbon capture was also be completed. This finding can be due to the fact that in the oxyfuel combustion cases, the carbon dioxide concentration is much higher than that of the air combustion cases because of the inert carbon dioxide and that higher carbon dioxide concentration results in a higher driving force for the mass transfer. The oxyfuel combustion processes also show another advantage over the air combustion processes since no nitrogen oxides are produced in the combustion process. © 2024 The Authors. Published by American Chemical Society.}, year = {2024}, eissn = {2470-1343}, pages = {3250-3261}, orcid-numbers = {Mizsey, Péter/0000-0002-6976-6210} } @mastersthesis{MTMT:34483901, title = {Katalizátor fejlesztése klorátionok katalitikus hidrogénezéséhez}, url = {https://m2.mtmt.hu/api/publication/34483901}, author = {Sikora, Emőke}, doi = {10.14750/ME.2024.010}, unique-id = {34483901}, year = {2024} } @article{MTMT:34479241, title = {A Novel Polyethersulfone/Chamomile (PES/Chm) Mixed Matrix Membranes for Wastewater Treatment Applications}, url = {https://m2.mtmt.hu/api/publication/34479241}, author = {Raja, Rana I. and Rashid, Khalid T. and Toma, M.A. and AbdulRazak, Adnan A. and Shehab, Mohammed and Hernádi, Klára}, doi = {10.1016/j.jscs.2023.101805}, journal-iso = {J SAUDI CHEM SOC}, journal = {JOURNAL OF SAUDI CHEMICAL SOCIETY}, volume = {28}, unique-id = {34479241}, issn = {1319-6103}, year = {2024}, eissn = {2212-4640}, orcid-numbers = {Rashid, Khalid T./0000-0001-7794-5174; Toma, M.A./0000-0001-5692-5633; Hernádi, Klára/0000-0001-9419-689X} }