TY - THES AU - Prekob, Ádám TI - Anilinszintézisre alkalmas katalizátorok fejlesztése PY - 2024 UR - https://m2.mtmt.hu/api/publication/35258497 ID - 35258497 LA - Hungarian DB - MTMT ER - TY - JOUR AU - Csorba, Benjámin AU - Farkas, László AU - Csécsi, Marcell Dániel AU - Mika, László Tamás AU - Gresits, Iván TI - Facile Determination of Aluminum Content in Industrial Brine by Investigating the Effects of Buffer Systems JF - CHEMISTRYOPEN J2 - CHEMISTRYOPEN PY - 2024 PG - 9 SN - 2191-1363 DO - 10.1002/open.202400038 UR - https://m2.mtmt.hu/api/publication/35224742 ID - 35224742 N1 - Funding Agency and Grant Number: Wanhua-BorsodChem Ltd, Kazincbarcika, Hungary Funding text: The support of the project by Wanhua-BorsodChem Ltd, Kazincbarcika, Hungary, is greatly appreciated. B. Csorba, L. Farkas and M. Csecsi thank to the support of Tamas Purzsa, Senior Consultant, and Zhao Nan Deputy Chief General Engineer. The authors thank Aranka Mate for her help and for conducting laboratory experiments as well as to Andrea Mihalko and Dr. Renata Z. Boros for their help and fruitful discussions. AB - The aluminum content of concentrated (27 wt%) sodium chloride solutions could be crucial for large‐scale chlor‐alkali‐based industries applying membrane cell electrolysis. Thus, a facile method which enables a fast and reliable protocol to determine the Al content of these solutions on ppb scale in industrial environments is fundamentally important. It was demonstrated that the increased sensitivity of colorful Al‐ECR (eriochrome cyanine R) complex by the use of a cationic surfactant and specific biological buffers could effectively indicate the Al content in an extended pH interval of a concentrated saline medium under industrial conditions. The dependence of the analytical protocol on pH, temperature, time, wavelength, and the salinity of the medium was investigated. It was shown that the absorbance‐based measurements of the solution should be performed at least 2–4 h after its preparation. By applying the selected two Good's buffers (HEPES: 4‐(2‐hydroxyethyl)‐1‐piperazineethanesulfonic acid, MOPS: 3‐(N‐morpholino)‐propanesulfonic acid) and Tris (tris(hydroxymethyl)aminomethane), 32.8–38.1 % increase in the sensitivity was achieved for saturated NaCl solutions. Moreover, the limits of detection and quantification (LOD, LOQ) were also lowered by 19.0–29.8 %, and the salinity dependence of the calibration was also reduced. LA - English DB - MTMT ER - TY - JOUR AU - Giri, Binod AU - Palacios, Manuel Monge AU - Thangaraj, Ravikumar AU - Shrestha, Krishna Prasad AU - Viskolcz, Béla AU - Mauss, Fabian AU - Szőri, Milán TI - An Ab initio based OH initiated oxidation kinetics of glycerol carbonate: A promising biofuel component JF - PROCEEDINGS OF THE COMBUSTION INSTITUTE J2 - P COMBUST INST VL - 40 PY - 2024 IS - 1-4 SN - 1540-7489 DO - 10.1016/j.proci.2024.105668 UR - https://m2.mtmt.hu/api/publication/35191598 ID - 35191598 LA - English DB - MTMT ER - TY - JOUR AU - Muhsen, Muhsen Chelab AU - Mohammed, Ahmed J. AU - AL-Malki, Ziyad T. AU - Aljaberi , Dalal Karad Thbayh TI - Investigation on the influence of waste-based fillers on the mechanical and thermal characteristics of rigid polyurethane foams JF - EUREKA: Physics and Engineering VL - 2024 PY - 2024 IS - 4 SP - 173 EP - 183 PG - 11 SN - 2461-4254 DO - 10.21303/2461-4262.2024.003419 UR - https://m2.mtmt.hu/api/publication/35191588 ID - 35191588 AB - An investigation was conducted to analyze the impact of incorporating coal powder particles at different weight ratios (5, 10, 15, 25, and 35) on the mechanical properties and thermal conductivity coefficient of the polyurethane polymer. The thermal conductivity coefficient of the samples was calculated using Holmarc's Lee's Disc apparatus device. The mechanical properties like compressive, tensile, and bending strengths were measured using a universal machine. The results indicated that increasing the coal powder ratio leads to an improvement in the thermal insulation ability due to a decrease in the value of thermal conductivity. Also, the addition of these percentages led to a rise in the values of the mechanical qualities represented by the compressive strength, especially at the ratio of 25 wt. %, with a value equal to 2.79 MPa (MPa). The flexural resistance and tensile strength increase at a ratio of 35 wt. %, with values equal to 20.4 MPa and 2.86 MPa respectively. The results indicate that the addition of coal powder enhances the ability of thermal conductivity at the ratios (5 %, 10) wt. %, with values equal to 0.119 W/m ºC and 0.114 W/m ºC, respectively, by increasing the thermal conductivities of the samples. The aim of this study is, investigate the effect of filler used coal powder waste on the mechanical and thermal properties of PU. The filler materials show the advantages of recycling waste. Filler influences the morphology and strengthens the brittleness. Additionally, the technology of polyurethane materials conforms to the use of coal powder. The overall amount of energy used to produce PU composites is decreased when waste of filler is used to partially replace petrochemical components LA - English DB - MTMT ER - TY - JOUR AU - Nabeel, Mohammed AU - Addie, Ali J. AU - Viskolcz, Béla AU - Szabóné Kollár, Mariann AU - Fiser, Béla AU - Vanyorek, László TI - Integrating polyurethane‐silicone rubber‐nanohybrid systems for improved wearable pressure sensing JF - POLYMER COMPOSITES J2 - POLYM COMPOSITE PY - 2024 PG - 14 SN - 0272-8397 DO - 10.1002/pc.28976 UR - https://m2.mtmt.hu/api/publication/35186571 ID - 35186571 LA - English DB - MTMT ER - TY - JOUR AU - Bufarwa, Saleh M. AU - El-Sefait, Reem M. AU - Aljaberi , Dalal Karad Thbayh AU - Belaidi, Mustapha AU - Al-Shemary, Rehab K. AU - Abdusamea, Rema. M. AU - El-Ajaily, Marei M. AU - Fiser, Béla AU - Bader, Hanan A. AU - Saleh, Abdulsalam A. AU - Bufarwa, Mohamad M. TI - Antituberculosis, antimicrobial, antioxidant, cytotoxicity and anti-inflammatory activity of Schiff base derived from 2,3-diaminophenazine moiety and its metal(II) complexes: structural elucidation, computational aspects, and biological evaluation JF - REVIEWS IN INORGANIC CHEMISTRY J2 - REV INORG CHEM PY - 2024 PG - 20 SN - 0193-4929 DO - 10.1515/revic-2024-0007 UR - https://m2.mtmt.hu/api/publication/35186357 ID - 35186357 AB - Enticed by the present scenario of infectious diseases, four new Co(II), Ni(II), Cu(II), and Cd(II) complexes of Schiff base ligand were synthesized from 6,6′-((1E-1′E)(phenazine-2,3-dielbis(azanylidene)-bis-(methanylidene)-bis-(3-(diethylamino)phenol)) ( H 2 L ) to ascertain as effective drug for antituberculosis, anti-inflammatory, antioxidant, cytotoxic and antimicrobial activities. The organic ligand and its metal(II) complexes were characterized by numerous physical and spectroscopic methods, which showed that the complexes have a general formula, [ ML ], (where M = Co(II) ( C1 ), Ni(II) ( C2 ), Cu(II) ( C3 ) and Cd(II) ( C4 )), for metal complexes have been proposed and have a square planar geometry, are amorphous in nature, and are thermally stable. Data highlight obtained from activity testing against tuberculosis, inflammation, and oxidants that all compounds are significantly active against these symptoms. Also, was to evaluate the effectiveness of various compounds against bacterial and fungal strains. Specifically, four bacterial strains ( Bacillus subtilis , Staphylococcus aureus , Escherichia coli , and Pseudomonas aeruginosa ) and two fungal strains ( Aspergillus flavus and Candida albicans ) were tested and compared to the results of some standard drugs. The results revealed that compound C4 was more effective against bacterial strains than the comparison standard drugs. In addition, C3 was found to be the most effective of the comparison antibiotics against fungi, while the other compounds showed moderate antifungal activity. Moreover, to support the vitro results, certain computational studies as molecular docking studies, DFT, MESP, and AMEDT were also conducted to confirm the effectiveness of an organic ligand and its complexes against tuberculosis. These studies revealed that C4 is the most effective against tuberculosis and has desirable effects such as absorption, no degradation and no hepatotoxicity, etc. LA - English DB - MTMT ER - TY - JOUR AU - Hornyák-Mester, Enikő AU - Varga, Miklós AU - Sőrés-Tölli, Lilla Márta AU - Mentes, Dóra AU - Hatvani-Nagy, Alpár Ferencz AU - Groh Werner, Péter AU - Viskolcz, Béla AU - Muránszky, Gábor AU - Fiser, Béla TI - Comparative analysis of thermal degradation effects on traditional and low-emission flexible polyurethane foams JF - EXPRESS POLYMER LETTERS J2 - EXPRESS POLYM LETT VL - 18 PY - 2024 IS - 10 SP - 964 EP - 975 PG - 12 SN - 1788-618X DO - 10.3144/expresspolymlett.2024.74 UR - https://m2.mtmt.hu/api/publication/35172549 ID - 35172549 LA - English DB - MTMT ER - TY - CONF AU - Csécsi, Marcell Dániel ED - Hajdú, Péter TI - Difenil-karbodiimid képződésének számításos kémiai és reakciókinetikai vizsgálata T2 - XXVII. Tavaszi Szél Konferencia 2024 - Absztraktkötet PB - Doktoranduszok Országos Szövetsége (DOSZ) C1 - Budapest SN - 9786156457523 PY - 2024 SP - 290 PG - 1 UR - https://m2.mtmt.hu/api/publication/35144090 ID - 35144090 AB - A poliuretánok szintézisének alapanyagai a poliolok és a diizocianát típusú vegyületek (TDI, MDI). Utóbbiakat az üzemi termelés során ún. karbodiimidekkel modifikálják, hogy bizonyos előnyös tulajdonságokat érjen el a termék, a széleskörűen használt poliuretán hab [1]. A karbodiimidek N=C=N kötést tartalmazó vegyületek. Kutatásomban a karbodiimid-képződés folyamatát kívántam megismerni és optimalizálni, azonban nem egy diizocianáton, hanem egy egyszerűbb monoizocianáton, a fenil-izocianáton keresztül. A reakció egy homogén katalitikus folyamat, melyben szén-dioxid gáz fejlődik. Oldószernek az iparban, az izocianátgyártás során elterjedten használt orto-diklórbenzolt (ODCB) használtam. Katalizátorként leggyakrabban foszfolén-oxid típusú vegyületeket használnak, azon belül is esetemben a 3-metil-1-fenil-2-foszfolén-1-oxidot (MPPO). [2] Először számításos kémiai vizsgálatokat végeztem a reakció mechanizmusának vizsgálatára a sűrűségfunkcionál elmélet (DFT) szerint ωB97X-D/6-311++G(d,p) elméleti szinten. Célom volt meghatározni a potenciális energiafelületet, termokémiai leíró mennyiségeket és a reakció aktiválási entalpiáját. A számolásokat gázfázisban és SMD oldószermodell alkalmazásában is megvizsgáltam ODCB-re. Végeredményben 6 átmeneti állapotot és 8 köztiterméket különböztettem meg, a gázfázisú és oldatfázisú reakció aktiválás energiái rendre 67,7 és 53,6 kJ/mol lettek. Az elméleti módszer eredményeinek bizonyítására egy valós kísérleti rendszert is összeállítottam, ahol a keletkező gáz időbeli fejlődését követtem egy konvencionális gázbürettával, 5 különböző hőmérsékleten (40–80 °C) mérve. A mérési sorozatokból reakciókinetikát számoltam és az Arrhenius-egyenlet felhasználásával megállapítottam a sebességi állandókat és az aktiválási energiát. A reakció kezdetben másodrendű kinetikát követ, az aktiválási gát pedig 55,8 kJ/mol-nak adódott. Összehasonlításban azt találtam, hogy az elméleti oldószermodell alkalmazásával és a kísérletek során kapott eredmények 4%-on belül jó egyezést mutatnak. Ez bizonyítja, hogy a számítások és a kísérleti módszer egyaránt alkalmas a karbodiimid-képződési reakció tanulmányozására és lehetőséget ad további vizsgálatokra is. [1] H. Ulrich, „Chemistry and Technology of Carbodiimides” (2007). John Wiley and Sons [2] T. W. Campbell, J. J. Monagle, and V. S. Foldi, “Carbodiimides. I. Conversion of Isocyanates to Carbodiimides with Phospholine Oxide Catalyst,” J. Am. Chem. Soc., vol. 84, no. 19, pp. 3673–3677. (1962), doi: 10.1021/JA00878A015. LA - Hungarian DB - MTMT ER - TY - JOUR AU - Csécsi, Marcell Dániel AU - Kondor, Virág AU - Reizer, Edina AU - Boros, Renáta Zsanett AU - Tóth, Péter AU - Farkas, László AU - Fiser, Béla AU - Mucsi, Zoltán AU - Nagy, Miklós AU - Viskolcz, Béla TI - Theoretical and Experimental Study on Carbodiimide Formation JF - INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES J2 - INT J MOL SCI VL - 25 PY - 2024 IS - 14 SN - 1661-6596 DO - 10.3390/ijms25147991 UR - https://m2.mtmt.hu/api/publication/35144070 ID - 35144070 AB - Carbodiimides are important crosslinkers in organic synthesis and are used in the isocyanate industry as modifier additives. Therefore, the understanding of their formation is of high importance. In this work, we present a theoretical B3LYP/6-31G(d) and SMD solvent model and experimental investigation of the formation of diphenylcarbodiimide (CDI) from phenyl isocyanate using a phosphorus-based catalyst (MPPO) in ortho-dichlorobenzene (ODCB) solvent. Kinetic experiments were based on the volumetric quantitation of CO2 evolved, at different temperatures between 40 and 80 °C. Based on DFT calculations, we managed to construct a more detailed reaction mechanism compared to previous studies which is supported by experimental results. DFT calculations revealed that the mechanism is composed of two main parts, and the rate determining step of the first part, controlling the CO2 formation, is the first transition state with a 52.9 kJ mol−1 enthalpy barrier. The experimental activation energy was obtained from the Arrhenius plot (ln k vs. 1/T) using the observed second-order kinetics, and the obtained 55.8 ± 2.1 kJ mol−1 was in excellent agreement with the computational one, validating the complete mechanism, giving a better understanding of carbodiimide production from isocyanates. LA - English DB - MTMT ER - TY - JOUR AU - Máthé, Domokos AU - Szalay, Gergely AU - Cseri, Levente AU - Kis, Zoltán AU - Pályi, Bernadett AU - Földes, Gábor AU - Kovács, Noémi AU - Fülöp, Anna AU - Szepesi, Áron AU - Hajdrik, Polett AU - Csomos, Attila AU - Zsembery, Ákos AU - Kádár, Kristóf György AU - Katona, Gergely AU - Mucsi, Zoltán AU - Rózsa J., Balázs AU - Kovács, Ervin TI - Monitoring correlates of SARS-CoV-2 infection in cell culture using a two-photon-active calcium-sensitive dye JF - CELLULAR AND MOLECULAR BIOLOGY LETTERS J2 - CELL MOL BIOL LETT VL - 29 PY - 2024 IS - 1 PG - 16 SN - 1425-8153 DO - 10.1186/s11658-024-00619-0 UR - https://m2.mtmt.hu/api/publication/35139761 ID - 35139761 N1 - Funding Agency and Grant Number: Nemzeti Kutatsi Fejlesztsi s Innovcis Hivatal; Semmelweis University Funding text: We thank Balazs Chiovini, Linda Sulcz-Judak, and Imre G. Csizmadia for critical evaluation of the manuscript. The authors are grateful to Miklos Dekany (Richter Gedeon Plc.) for his help with HRMS and MS/MS measurements. D.M. thanks Zoltan Kaleta for his valuable suggestions. Miklos Sz. Kellermayer is gratefully acknowledged for scientific guidance and for setting up the physical virology research line at the Department of Biophysics and Radiation Biology, Semmelweis University.DAS:The authors declare that all the data supporting the findings of this study are available within the paper and the Supplementary Data. Raw two-photon microscopy images can be found in Supplementary Dataset 1.29 Additional raw data are available from the corresponding authors upon request. LA - English DB - MTMT ER -