TY - JOUR AU - Ábrányi-Balogh, Péter AU - Molnárné Samu, Erika AU - Pánczél, János K. AU - Benkő, Zoltán AU - Simig, Gyula AU - Volk, Balázs TI - Computational Studies on the Diastereospecific Lithium Variant of Oppenauer Oxidation of a Tofisopam Intermediate JF - JOURNAL OF ORGANIC CHEMISTRY J2 - J ORG CHEM PY - 2024 PG - 6 SN - 0022-3263 DO - 10.1021/acs.joc.3c02660 UR - https://m2.mtmt.hu/api/publication/34778896 ID - 34778896 N1 - Medicinal Chemistry Research Group, Research Centre for Natural Sciences, Magyar tudósok krt. 2, Budapest, H-1117, Hungary Department of Organic Chemistry and Technology, Budapest University of Technology and Economics, Műegyetem rkp. 3, Budapest, H-1111, Hungary National Laboratory for Drug Research and Development, Magyar tudósok krt. 2, Budapest, H-1117, Hungary Directorate of Drug Substance Development, Egis Pharmaceuticals Plc., Budapest, H-1475, Hungary Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, Szt. Gellért tér 4, Budapest, H-1111, Hungary Export Date: 12 April 2024 CODEN: JOCEA Correspondence Address: Ábrányi-Balogh, P.; Medicinal Chemistry Research Group, Magyar tudósok krt. 2, Hungary; email: abranyi-balogh.peter@ttk.hu Correspondence Address: Volk, B.; Directorate of Drug Substance Development, Hungary; email: volk.balazs@egis.hu LA - English DB - MTMT ER - TY - JOUR AU - Gál, Márton AU - Samaniego Andrade, Samantha Kathiuska AU - Fehér, Anna Éva AU - Farkas, Attila AU - Madarász, János AU - Horváth, Lili AU - Gordon, Péter AU - Kovács, Róbert Sándor AU - Nagyné László, Krisztina TI - Thermal diffusity in copper benzene-1,3,5-tricarboxylate–reduced graphite oxide mechanical composites JF - JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY J2 - J THERM ANAL CALORIM PY - 2024 PG - 13 SN - 1388-6150 DO - 10.1007/s10973-024-13021-x UR - https://m2.mtmt.hu/api/publication/34772009 ID - 34772009 AB - Metal organic frameworks (MOFs) and particularly copper benzene-1,3,5-tricarboxylate (HKUST-1) are excellent materials for gas storage (e.g., CH 4 , N 2 , H 2 adsorption) and gas separation. In this work, reduced graphene oxide (RGO)–HKUST-1 mechanical mixtures were studied in order to reveal the effect of RGO content on the pressure tolerance of the texture and heat conductivity. HKUST-1 was obtained by two different synthesis routes. Air-dried MOF and RGO were thoroughly mixed prior to the compression. Powder XRD and Raman spectroscopy were used to characterize the response of the crystal structure, while low-temperature nitrogen adsorption was used the follow the adsorption properties of the pellets. Finally, the "flash" heat pulse method was used to assess the thermal properties. The gas adsorption isotherms revealed that the adsorption capacity decreases when RGO is added. Based on Raman and XRD results, we found that the synthesis route has an effect on multiple scales. We experimentally confirmed that evaluation of the thermal diffusivity requires a model more complex than the simple Fourier equation, due to the inherent heterogeneous structure of the material. A good approximation of the Fourier coefficient of thermal diffusivity was obtained using the parameters of the Guyer–Krumhansl equation. The heat pulse experiments also revealed possible size-dependent behavior. LA - English DB - MTMT ER - TY - JOUR AU - Mészáros, Lilla Alexandra AU - Madarász, Lajos AU - Kádár, Szabina AU - Ficzere, Máté AU - Farkas, Attila AU - Nagy, Zsombor Kristóf TI - Machine vision-based non-destructive dissolution prediction of meloxicam-containing tablets JF - INTERNATIONAL JOURNAL OF PHARMACEUTICS J2 - INT J PHARM VL - 655 PY - 2024 PG - 13 SN - 0378-5173 DO - 10.1016/j.ijpharm.2024.124013 UR - https://m2.mtmt.hu/api/publication/34771157 ID - 34771157 N1 - Export Date: 5 April 2024 CODEN: IJPHD Correspondence Address: Kristóf Nagy, Z.; Department of Organic Chemistry and Technology, Műegyetem rakpart 3, Hungary; email: zsknagy@oct.bme.hu AB - Machine vision systems have emerged for quality assessment of solid dosage forms in the pharmaceutical industry. These can offer a versatile tool for continuous manufacturing while supporting the framework of process analytical technology, quality-by-design, and real-time release testing. The aim of this work is to develop a digital UV/VIS imaging-based system for predicting the in vitro dissolution of meloxicam-containing tablets. The alteration of the dissolution profiles of the samples required different levels of the critical process parameters, including compression force, particle size and content of the API. These process parameters were predicted non-destructively by multivariate analysis of UV/VIS images taken from the tablets. The dissolution profile prediction was also executed using solely the image data and applying artificial neural networks. The prediction error (RMSE) of the dissolution profile points was less than 5%. The alteration of the API content directly affected the maximum concentrations observed at the end of the dissolution tests. This parameter was predicted with a relative error of less than 10% by PLS models that are based on the color components of UV and VIS images. In conclusion, this paper presents a modern, non-destructive PAT solution for real-time testing of the dissolution of tablets. © 2024 The Author(s) LA - English DB - MTMT ER - TY - JOUR AU - Nguyen Thanh, Thuy Tien AU - Yusifov, Ziya AU - Tóth, Bence AU - Bordácsné Bocz, Katalin AU - Márton, Péter AU - Hórvölgyi, Zoltán AU - Marosi, György AU - Szolnoki, Beáta TI - Preparation and Characterization of Microencapsulated Ammonium Polyphosphate with Polyurethane Shell and Its Flame Retardance in Polypropylene JF - FIRE J2 - FIRE VL - 7 PY - 2024 IS - 3 PG - 15 SN - 2571-6255 DO - 10.3390/fire7030097 UR - https://m2.mtmt.hu/api/publication/34761885 ID - 34761885 N1 - Department of Organic Chemistry and Technology, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., Budapest, H-1111, Hungary Department of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., Budapest, H-1111, Hungary Export Date: 5 April 2024 Correspondence Address: Szolnoki, B.; Department of Organic Chemistry and Technology, Műegyetem rkp. 3., Hungary; email: szolnoki.beata@vbk.bme.hu AB - Polypropylene (PP) shows no charring ability in burning due to the lack of hydroxyl functional groups; thus, the flame retardant system needs an additional amount of carbonizing agent. An ammonium polyphosphate (APP)-based all-in-one intumescent flame-retardant system was prepared by the in situ polymerization of polymeric methylene diphenyl diisocyanate (pMDI) with a glycerol-based and a glycerol–sorbitol-based polyol of high OH value. The microencapsulated APP with a polyurethane shell (MCAPP) of different polyols was characterized. The MCAPP with speculated improved flame retardant performance was selected for further evaluation in the PP matrix at different loadings by means of standard flammability tests. LA - English DB - MTMT ER - TY - JOUR AU - Péterfi, Orsolya TI - Nagy nyelvi modellek gyógyszeripari alkalmazhatóságának lehetőségei JF - RENDVÉDELEM TUDOMÁNYOS FOLYÓIRAT (ON-LINE) J2 - RENDVÉDELEM VL - 13 PY - 2024 IS - 1 SP - 86 EP - 103 PG - 18 SN - 2560-2349 DO - 10.53793/RV.2024.1.6 UR - https://m2.mtmt.hu/api/publication/34761506 ID - 34761506 AB - A gyógyszerkutatás és -fejlesztés hosszú és költséges folyamat, amely számos kihívással jár. A készítmény forgalomba hozatalát követően a minőségellenőrzés és a mellékhatások monitorozásával biztosítják a gyógyszer biztonságosságát és hatásosságát. A gyógyszeripar szigorú szabályozási követelményeknek kell eleget tegyen, ami nehezíti az innovációt és a hatékonyságot. A nagy nyelvi modellek egyre nagyobb teret hódítanak az életünkben, ami széles körű alkalmazhatóságuknak köszönhető. Ezek a modellek képesek nagy mennyiségű nyelvi információ feldolgozására és szöveggenerálásra. A mesterséges intelligencia alapú eszközök alkalmasnak bizonyultak hatalmas mennyiségű tudományos és orvosi információ elemzésére, ezáltal rendkívül sokoldalú segítséget nyújtanak a gyógyszerkutatás, fejlesztés, -gyártás és minőségellenőrzés területein. Mindezek révén csökkenthetőek a gyógyszerkutatás költségei, felgyorsítható az új készítmények piacra jutása, végsősoron a gyógyszeripar hatékonyabbá válhat. LA - Hungarian DB - MTMT ER - TY - JOUR AU - Galata, Dorián László AU - Sinka Lázárné, Melinda AU - Kiss-Kovács, Dorottya AU - Fülöp, Gergő AU - Dávid, Barnabás AU - Bogáti, Botond AU - Ficzere, Máté AU - Péterfi, Orsolya AU - Nagy, Brigitta AU - Marosi, György AU - Nagy, Zsombor Kristóf TI - Effects of omitting titanium dioxide from the film coating of a pharmaceutical tablet – An industrial case study of attempting to comply with EU regulation 2022/63 JF - EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES J2 - EUR J PHARM SCI VL - 196 PY - 2024 PG - 8 SN - 0928-0987 DO - 10.1016/j.ejps.2024.106750 UR - https://m2.mtmt.hu/api/publication/34759143 ID - 34759143 N1 - Department of Organic Chemistry and Technology, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3, Budapest, H-1111, Hungary Gedeon Richter Plc., Formulation R&D, Gyömrői u. 19-21, Budapest, H-1103, Hungary Export Date: 2 April 2024 CODEN: EPSCE Correspondence Address: Nagy, Z.K.; Department of Organic Chemistry and Technology, Műegyetem rkp. 3, Hungary; email: zsknagy@oct.bme.hu LA - English DB - MTMT ER - TY - JOUR AU - Péterfi, Orsolya AU - Mészáros, Lilla Alexandra AU - Szabó-Szőcs, Bence AU - Ficzere, Máté AU - Sipos, Emese AU - Farkas, Attila AU - Galata, Dorián László AU - Nagy, Zsombor Kristóf TI - UV–VIS imaging-based investigation of API concentration fluctuation caused by the sticking behaviour of pharmaceutical powder blends JF - INTERNATIONAL JOURNAL OF PHARMACEUTICS J2 - INT J PHARM VL - 655 PY - 2024 PG - 11 SN - 0378-5173 DO - 10.1016/j.ijpharm.2024.124010 UR - https://m2.mtmt.hu/api/publication/34759117 ID - 34759117 N1 - Department of Organic Chemistry and Technology, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., Budapest, H-1111, Hungary Department of Pharmaceutical Industry and Management, Faculty of Pharmacy, George Emil Palade University of Medicine, Pharmacy, Sciences and Technology of Targu Mures, Gheorghe Marinescu Street 38, Targu Mures, 540142, Romania Export Date: 5 April 2024 CODEN: IJPHD Correspondence Address: Galata, D.L.; Department of Organic Chemistry and Technology, Műegyetem rkp. 3., Hungary; email: galata.dorian.laszlo@vbk.bme.hu AB - Surface powder sticking in pharmaceutical mixing vessels poses a risk to the uniformity and quality of drug formulations. This study explores methods for evaluating the amount of pharmaceutical powder mixtures adhering to the metallic surfaces. Binary powder blends consisting of amlodipine and microcrystalline cellulose (MCC) were used to investigate the effect of the mixing order on the adherence to the vessel wall. Elevated API concentrations were measured on the wall and within the dislodged material from the surface, regardless of the mixing order of the components. UV imaging was used to determine the particle size and the distribution of the API on the metallic surface. The results were compared to chemical maps obtained by Raman chemical imaging. The combination of UV and VIS imaging enabled the rapid acquisition of chemical maps, covering a substantially large area representative of the analysed sample. UV imaging was also applied in tablet inspection to detect tablets that fail to meet the content uniformity criteria. The results present powder adherence as a possible source of poor content uniformity, highlighting the need for 100% inspection of pharmaceutical products to ensure product quality and safety. LA - English DB - MTMT ER - TY - JOUR AU - Gelencsér, O. AU - Szakács, A. AU - Gál, Á. AU - Szabó, Á. AU - Dankházi, Z. AU - Tóth, Tünde AU - Breitner, D. AU - Szabó-Krausz, Z. AU - Szabó, C. AU - Falus, G. TI - Microstructural study of the Praid Salt Diapir (Transylvanian basin, Romania) and its implication on deformation history and hydrogen storage potential JF - ACTA GEODAETICA ET GEOPHYSICA J2 - ACTA GEOD GEOPHYS PY - 2024 PG - 23 SN - 2213-5812 DO - 10.1007/s40328-024-00436-z UR - https://m2.mtmt.hu/api/publication/34756381 ID - 34756381 N1 - Export Date: 26 March 2024 Correspondence Address: Gelencsér, O.; Doctoral School of Environmental Sciences, Hungary; email: gecso@staff.elte.hu LA - English DB - MTMT ER - TY - JOUR AU - Tóth, László AU - Slezák, Emese AU - Bordácsné Bocz, Katalin AU - Ronkay, Ferenc György TI - Progress in 3D printing of recycled PET JF - MATERIALS TODAY SUSTAINABILITY J2 - MATER TODAY SUSTAIN VL - 26 PY - 2024 PG - 13 SN - 2589-2347 DO - 10.1016/j.mtsust.2024.100757 UR - https://m2.mtmt.hu/api/publication/34755459 ID - 34755459 N1 - Department of Innovative Vehicles and Materials, GAMF Faculty of Engineering and Computer Science, John von Neumann University, Izsáki str. 10., Kecskemét, H-6000, Hungary Department of Organic Chemistry and Technology, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Műegyetem rkp. 3., Budapest, H-1111, Hungary Export Date: 12 April 2024 Correspondence Address: Bocz, K.; Department of Organic Chemistry and Technology, Műegyetem rkp. 3., Hungary; email: bocz.katalin@vbk.bme.hu LA - English DB - MTMT ER - TY - JOUR AU - Béres, Kende Attila AU - Dürvanger, Zsolt AU - Homonnay, Zoltán AU - Nagyné Bereczki, Laura AU - Barta Holló, Berta AU - Farkas, Attila AU - Petruševski, Vladimir M. AU - Kótai, László TI - Insight into the Structure and Redox Chemistry of [Carbonatotetraamminecobalt(III)] Permanganate and Its Monohydrate as Co-Mn-Oxide Catalyst Precursors of the Fischer-Tropsch Synthesis JF - INORGANICS J2 - INORGANICS VL - 12 PY - 2024 IS - 4 SP - 94 SN - 2304-6740 DO - 10.3390/inorganics12040094 UR - https://m2.mtmt.hu/api/publication/34753165 ID - 34753165 AB - [Carbonatotetraamminecobalt(III)] permanganate monohydrate was synthesized first in the metathesis reaction of [Co(NH3)4CO3]NO3 and NaMnO4 in aqueous solution. Its thermal dehydration at 100 °C resulted in phase-pure [Co(NH3)4CO3]MnO4 (compound 1). Compounds 1 and 2 (i.e., the hydrated form) were studied with IR, far-IR, and low-temperature Raman spectroscopies, and their vibrational modes were assigned. The lattice parameters were determined by powder X-ray diffraction (PXRD) and single crystal X-ray diffraction (SXRD) methods for the triclinic and orthorhombic compounds 1 and 2, respectively. The detailed structure of compound 2 was determined, and the role of hydrogen bonds in the structural motifs was clarified. UV studies on compounds 1 and 2 showed the distortion of the octahedral geometry of the complex cation during dehydration because of the partial loss of the hydrogen bonds between the crystal water and the ligands of the complex cation. The thermal decomposition consists of a solid phase quasi-intramolecular redox reaction between the ammonia ligands and permanganate anions with the formation of ammonia oxidation products (H2O, NO, N2O, and CO2). The solid phase reaction product is amorphous cobalt manganese oxide containing ammonium, carbonate (and nitrate) anions. The temperature-controlled thermal decomposition of compound 2 in toluene at 110 °C showed that one of the decomposition intermediates is ammonium nitrate. The decomposition intermediates are transformed into Co1.5Mn1.5O4 spinel with MnCo2O4 structure upon further heating. Solid compound 2 gave the spinel at 500 °C both in an inert and air atmosphere, whereas the sample pre-treated in toluene at 110 °C without and with the removal of ammonium nitrate by aqueous washing, gave the spinel already at 300 and 400 °C, respectively. The molten NH4NO3 is a medium to start spinel crystallization, but its decomposition stops further crystal growth of the spinel phase. By this procedure, the particle size of the spinel product as low as ~4.0 nm could be achieved for the treatments at 300 and 400 °C, and it increased only to 5.7 nm at 500 °C. The nano-sized mixed cobalt manganese oxides are potential candidates as Fischer-Tropsch catalysts. LA - English DB - MTMT ER -