@article{MTMT:34822025, title = {Comparative study of flame retardancy in polyimine vitrimers and composites: Evaluating additive and reactive flame retardants acting via gas-, solid-, and combined-phase mechanisms}, url = {https://m2.mtmt.hu/api/publication/34822025}, author = {Toldy, Andrea and Poór, Dániel István and Szolnoki, Beáta and Devecser, Boglárka and Geier, Norbert and Pomázi, Ákos}, doi = {10.1016/j.jmst.2024.01.047}, journal-iso = {J MATER SCI TECHNOL}, journal = {JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY}, volume = {196}, unique-id = {34822025}, issn = {1005-0302}, abstract = {We developed flame retarded polyimine type vitrimers and carbon fibre reinforced composites using two additive and a reactive flame retardant containing phosphorus: ammonium polyphosphate (APP), resorcinol bis(diphenyl phosphate) (RDP); and N,N',N’’-tris(2-aminoethyl)-phosphoric acid triamide (TEDAP). We characterised the vitrimer matrix materials by differential scanning calorimetry (DSC), thermal analysis (TGA), limiting oxygen index (LOI), UL-94 test and mass loss calorimetry (MLC), while the vitrimer composites by LOI, UL-94 test, MLC and dynamic mechanical analysis (DMA). We compared the performance of the vitrimer systems to a benchmark pentaerythritol-based aliphatic epoxy resin system (PER). The vitrimer reference had higher thermal stability but lower fire performance than the PER aliphatic reference epoxy. At lower phosphorus content, the vitrimer systems exhibited a melting above their vitrimer transition temperature, which negatively affected their LOI and UL-94 results. From 2% phosphorus content, rapid charring and extinguishing of vitrimers prevented the softening and deforming. The superior performance of these same flame retardants in vitrimer systems could be attributed to the high nitrogen content of imine-based vitrimers in combination with phosphorus flame retardants, exploiting nitrogen-phosphorus synergism. In both matrices, flame retardants with solid phase action lead to better fire performance, while in composites, the lowest peak heat release rates (152 kW/m2 in vitrimer composite) were achieved with RDP acting predominantly in the gas phase, as carbon fibres hindered the intumescent phenomenon. © 2024}, keywords = {PERFORMANCE; Nitrogen; differential scanning calorimetry; ADDITIVES; flame retardancy; carbon fibers; Thermoanalysis; calorimeters; Epoxy Resins; EPOXY; EPOXY; Benchmarking; Mass loss; fiber reinforced plastics; Flame retardants; Polymer composite; Polymer composite; Carbon fibre; fire performance; Limiting Oxygen Index; Flame-retardancy; Reactive flame retardants; vitrimer; vitrimer; Polyimines; polyimine}, year = {2024}, eissn = {1941-1162}, pages = {101-111}, orcid-numbers = {Toldy, Andrea/0000-0003-3569-1828; Poór, Dániel István/0000-0002-8036-7966; Szolnoki, Beáta/0000-0001-7214-9734; Geier, Norbert/0000-0001-7937-7246; Pomázi, Ákos/0000-0003-2969-8679} } @article{MTMT:34821706, title = {Revisiting Hafner’s Azapentalenes: The Chemistry of 1,3-Bis(dimethylamino)-2-azapentalene}, url = {https://m2.mtmt.hu/api/publication/34821706}, author = {Meiszter, Enikő and Gazdag, Tamás and Mayer, Péter J. and Kunfi, Attila and Holczbauer, Tamás and Sulyok-Eiler, Máté and London, Gábor}, doi = {10.1021/acs.joc.3c02564}, journal-iso = {J ORG CHEM}, journal = {JOURNAL OF ORGANIC CHEMISTRY}, unique-id = {34821706}, issn = {0022-3263}, abstract = {Stable azaheterocyclic derivatives of pentalene have been reported by the group of Hafner in the 1970s. However, these structures remained of low interest until recently, when they started to be investigated in the context of organic light-emitting diodes’ (OLEDs’) development. Herein, we revisit the synthesis of stable azapentalene derivative 1,3-bis(dimethylamino)-2-azapentalene and further explore its properties both computationally and experimentally. Beyond the reproduction and optimization of some previously reported transformations, such as formylation and amine substitution, the available scope of reactions was expanded with azo-coupling, selective halogenations, and cross-coupling reactions. © 2024 The Authors. Published by American Chemical Society.}, year = {2024}, eissn = {1520-6904}, orcid-numbers = {Mayer, Péter J./0000-0003-4891-3119; Sulyok-Eiler, Máté/0000-0002-3968-8776} } @article{MTMT:34802673, title = {Transaminase-catalysis to produce trans-4-substituted cyclohexane-1-amines including a key intermediate towards cariprazine}, url = {https://m2.mtmt.hu/api/publication/34802673}, author = {Farkas, Emese and Sátorhelyi, Péter and Szakács, Zoltán and Dékány, Miklós and Vaskó, Dorottya and Hornyánszky, Gábor and Poppe, László and Éles, János}, doi = {10.1038/s42004-024-01148-9}, journal-iso = {COMMUN CHEM}, journal = {COMMUNICATIONS CHEMISTRY}, volume = {7}, unique-id = {34802673}, issn = {2399-3669}, abstract = {Cariprazine—the only single antipsychotic drug in the market which can handle all symptoms of bipolar I disorder—involves trans- 4-substituted cyclohexane-1-amine as a key structural element. In this work, production of trans -4-substituted cyclohexane-1-amines was investigated applying transaminases either in diastereotope selective amination starting from the corresponding ketone or in diastereomer selective deamination of their diasteromeric mixtures. Transaminases were identified enabling the conversion of the cis -diastereomer of four selected cis/trans -amines with different 4-substituents to the corresponding ketones. In the continuous-flow experiments aiming the cis diastereomer conversion to ketone, highly diastereopure trans -amine could be produced ( de > 99%). The yield of pure trans -isomers exceeding their original amount in the starting mixture could be explained by dynamic isomerization through ketone intermediates. The single transaminase-catalyzed process—exploiting the cis -diastereomer selectivity of the deamination and thermodynamic control favoring the trans -amines due to reversibility of the steps—allows enhancement of the productivity of industrial cariprazine synthesis.}, year = {2024}, eissn = {2399-3669}, orcid-numbers = {Szakács, Zoltán/0000-0001-6557-4409; Dékány, Miklós/0000-0001-8032-2998; Vaskó, Dorottya/0000-0002-2502-0644; Poppe, László/0000-0002-8358-1378} } @article{MTMT:34778896, title = {Computational Studies on the Diastereospecific Lithium Variant of Oppenauer Oxidation of a Tofisopam Intermediate}, url = {https://m2.mtmt.hu/api/publication/34778896}, author = {Ábrányi-Balogh, Péter and Molnárné Samu, Erika and Pánczél, János K. and Benkő, Zoltán and Simig, Gyula and Volk, Balázs}, doi = {10.1021/acs.joc.3c02660}, journal-iso = {J ORG CHEM}, journal = {JOURNAL OF ORGANIC CHEMISTRY}, unique-id = {34778896}, issn = {0022-3263}, year = {2024}, eissn = {1520-6904}, orcid-numbers = {Benkő, Zoltán/0000-0001-6647-8320; Simig, Gyula/0000-0002-2569-6476; Volk, Balázs/0000-0002-2019-1874} } @article{MTMT:34772009, title = {Thermal diffusity in copper benzene-1,3,5-tricarboxylate–reduced graphite oxide mechanical composites}, url = {https://m2.mtmt.hu/api/publication/34772009}, author = {Gál, Márton and Samaniego Andrade, Samantha Kathiuska and Fehér, Anna Éva and Farkas, Attila and Madarász, János and Horváth, Lili and Gordon, Péter and Kovács, Róbert Sándor and Nagyné László, Krisztina}, doi = {10.1007/s10973-024-13021-x}, journal-iso = {J THERM ANAL CALORIM}, journal = {JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY}, unique-id = {34772009}, issn = {1388-6150}, abstract = {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.}, year = {2024}, eissn = {1572-8943}, orcid-numbers = {Fehér, Anna Éva/0000-0002-2366-6388; Farkas, Attila/0000-0002-8877-2587; Kovács, Róbert Sándor/0000-0001-5822-6035; Nagyné László, Krisztina/0000-0003-4499-3983} } @article{MTMT:34771157, title = {Machine vision-based non-destructive dissolution prediction of meloxicam-containing tablets}, url = {https://m2.mtmt.hu/api/publication/34771157}, author = {Mészáros, Lilla Alexandra and Madarász, Lajos and Kádár, Szabina and Ficzere, Máté and Farkas, Attila and Nagy, Zsombor Kristóf}, doi = {10.1016/j.ijpharm.2024.124013}, journal-iso = {INT J PHARM}, journal = {INTERNATIONAL JOURNAL OF PHARMACEUTICS}, volume = {655}, unique-id = {34771157}, issn = {0378-5173}, abstract = {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)}, keywords = {meloxicam; Quality assessment; artificial neural network; Machine vision; Dissolution testing; Dissolution prediction}, year = {2024}, eissn = {1873-3476}, orcid-numbers = {Farkas, Attila/0000-0002-8877-2587} } @article{MTMT:34761885, title = {Preparation and Characterization of Microencapsulated Ammonium Polyphosphate with Polyurethane Shell and Its Flame Retardance in Polypropylene}, url = {https://m2.mtmt.hu/api/publication/34761885}, author = {Nguyen Thanh, Thuy Tien and Yusifov, Ziya and Tóth, Bence and Bordácsné Bocz, Katalin and Márton, Péter and Hórvölgyi, Zoltán and Marosi, György and Szolnoki, Beáta}, doi = {10.3390/fire7030097}, journal-iso = {FIRE}, journal = {FIRE}, volume = {7}, unique-id = {34761885}, abstract = {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.}, year = {2024}, eissn = {2571-6255}, orcid-numbers = {Marosi, György/0000-0002-4774-2023; Szolnoki, Beáta/0000-0001-7214-9734} } @article{MTMT:34761506, title = {Nagy nyelvi modellek gyógyszeripari alkalmazhatóságának lehetőségei}, url = {https://m2.mtmt.hu/api/publication/34761506}, author = {Péterfi, Orsolya}, doi = {10.53793/RV.2024.1.6}, journal-iso = {RENDVÉDELEM}, journal = {RENDVÉDELEM TUDOMÁNYOS FOLYÓIRAT (ON-LINE)}, volume = {13}, unique-id = {34761506}, abstract = {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.}, keywords = {Minőségbiztosítás; FARMAKOVIGILANCIA; ChatGPT; gyógyszerfejlesztés}, year = {2024}, eissn = {2560-2349}, pages = {86-103} } @article{MTMT:34759143, title = {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}, url = {https://m2.mtmt.hu/api/publication/34759143}, author = {Galata, Dorián László and Sinka Lázárné, Melinda and Kiss-Kovács, Dorottya and Fülöp, Gergő and Dávid, Barnabás and Bogáti, Botond and Ficzere, Máté and Péterfi, Orsolya and Nagy, Brigitta and Marosi, György and Nagy, Zsombor Kristóf}, doi = {10.1016/j.ejps.2024.106750}, journal-iso = {EUR J PHARM SCI}, journal = {EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES}, volume = {196}, unique-id = {34759143}, issn = {0928-0987}, year = {2024}, eissn = {1879-0720}, orcid-numbers = {Marosi, György/0000-0002-4774-2023} } @article{MTMT:34759117, title = {UV–VIS imaging-based investigation of API concentration fluctuation caused by the sticking behaviour of pharmaceutical powder blends}, url = {https://m2.mtmt.hu/api/publication/34759117}, author = {Péterfi, Orsolya and Mészáros, Lilla Alexandra and Szabó-Szőcs, Bence and Ficzere, Máté and Sipos, Emese and Farkas, Attila and Galata, Dorián László and Nagy, Zsombor Kristóf}, doi = {10.1016/j.ijpharm.2024.124010}, journal-iso = {INT J PHARM}, journal = {INTERNATIONAL JOURNAL OF PHARMACEUTICS}, volume = {655}, unique-id = {34759117}, issn = {0378-5173}, abstract = {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.}, year = {2024}, eissn = {1873-3476}, orcid-numbers = {Péterfi, Orsolya/0000-0002-1921-1452; Farkas, Attila/0000-0002-8877-2587} }