TY - CONF AU - Do Thi, Huyen Trang AU - Tóth, András József TI - A desztillációs eljárás környezeti értékelése az illékony- és szerves halogénvegyületek eltávolítására a technológiai hulladékvizek esetében T2 - Műszaki Kémiai Napok 2024 PY - 2024 SP - 2 UR - https://m2.mtmt.hu/api/publication/34833665 ID - 34833665 LA - Hungarian DB - MTMT ER - TY - CONF AU - Somogyvári, Erik AU - Tóth, András József TI - Komplex, erősen nem-ideális négykomponensű elegyek elválasztása desztillációval – modellezés és optimalizálás folyamatszimulátorban T2 - Műszaki Kémiai Napok 2024 PY - 2024 SP - 1 UR - https://m2.mtmt.hu/api/publication/34833652 ID - 34833652 LA - Hungarian DB - MTMT ER - TY - CHAP AU - Mika, László Tamás AU - Árvai, Csaba ED - Reedijk, J. TI - Catalysis in Biomass-Based Solvents T2 - Reference Module in Chemistry, Molecular Sciences and Chemical Engineering PB - Elsevier CY - Waltham (MA) SN - 9780124095472 PY - 2024 SP - 10.1016/B978-0-443-15742-4.00041-7 DO - 10.1016/B978-0-443-15742-4.00041-7 UR - https://m2.mtmt.hu/api/publication/34827493 ID - 34827493 AB - Replacing fossil resources with renewables is one of the most pressing challenges in developing a cleaner chemical industry. It is a fact that the chemical industry utilizes enormous amounts of solvents, which undoubtedly contribute to the release of millions of tons of organic compounds into the environment. The research activities on biomass conversion have identified promising alternatives that could be introduced as non-fossil reaction media into various catalytic processes, lowering their environmental impacts. Herein, the application of g-valerolactone, 2-methyltetrahydrofuran, ethanol, glycerol, methyl- and ethyl levulinate, ethyl lactate, limonene and p- cymene as well as selected designer solvents i.e. choline chloride/urea deep eutectic solvent as biomass-based alternative reaction media for catalytic transformation were overviewed. LA - English DB - MTMT ER - TY - JOUR AU - Bognár, Zsófia AU - Mosshammer, Maria AU - Brodersen, Kasper E. AU - Bollati, Elena AU - Gyurcsányi, Ervin Róbert AU - Kuhl, Michael TI - Multiparameter Sensing of Oxygen and pH at Biological Interfaces via Hyperspectral Imaging of Luminescent Sensor Nanoparticles JF - ACS SENSORS J2 - ACS SENSORS VL - 9 PY - 2024 IS - 4 SP - 1763 EP - 1774 PG - 12 SN - 2379-3694 DO - 10.1021/acssensors.3c01941 UR - https://m2.mtmt.hu/api/publication/34824724 ID - 34824724 N1 - Funding Agency and Grant Number: Gordon and Betty Moore Foundation [TKP2021]; Ministry of Innovation and Technology of Hungary from the National Research, Development, and Innovation Fund [DFF-8022-00301B & DFF-8021-00308B]; Independent Research Fund Denmark [GBMF9206, 10.37807/GBMF9206]; Gordon and Betty Moore Foundation [00028156, VIL50371]; Villum Foundation [DNRF146]; DTU VISION from the Danish National Research Foundation (Center for Visualizing Catalytic Processes); European Commission [860125]; European Union Funding text: We thank Sofie L. Jakobsen for her excellent technical assistance. This study was supported by the Ministry of Innovation and Technology of Hungary from the National Research, Development, and Innovation Fund (R.E.G. BME-EGA-02 under TKP2021), the Independent Research Fund Denmark (M.K.; DFF-8022-00301B & DFF-8021-00308B), an investigator award from the Gordon and Betty Moore Foundation (M.K.; grant no. GBMF9206; 10.37807/GBMF9206), grants from the Villum Foundation (K.E.B.; Villum Experiment: 00028156, and M.M.; Villum Experiment: VIL50371), DTU VISION from the Danish National Research Foundation (Center for Visualizing Catalytic Processes, DNRF146 (Z.B.)), an Erasmus+ Traineeship financed by the European Commission (Z.B.) and a grant from the European Union's Horizon 2020 research and innovation programme (M.K.; Marie Sk & lstrok;odowska-Curie grant agreement No 860125). AB - Chemical dynamics in biological samples are seldom stand-alone processes but represent the outcome of complicated cascades of interlinked reaction chains. In order to understand these processes and how they correlate, it is important to monitor several parameters simultaneously at high spatial and temporal resolution. Hyperspectral imaging is a promising tool for this, as it provides broad-range spectral information in each pixel, enabling the use of multiple luminescent indicator dyes, while simultaneously providing information on sample structures and optical properties. In this study, we first characterized pH- and O-2-sensitive indicator dyes incorporated in different polymer matrices as optical sensor nanoparticles to provide a library for (hyperspectral) chemical imaging. We then demonstrate the successful combination of a pH-sensitive indicator dye (HPTS(DHA)(3)), an O-2-sensitive indicator dye (PtTPTBPF), and two reference dyes (perylene and TFPP), incorporated in polymer nanoparticles for multiparameter chemical imaging of complex natural samples such as green algal biofilms (Chlorella sorokiniana) and seagrass leaves (Zostera marina) with high background fluorescence. We discuss the system-specific challenges and limitations of our approach and further optimization possibilities. Our study illustrates how multiparameter chemical imaging with hyperspectral read-out can now be applied on natural samples, enabling the alignment of several chemical parameters to sample structures. LA - English DB - MTMT ER - TY - JOUR AU - Toldy, Andrea AU - Poór, Dániel István AU - Szolnoki, Beáta AU - Devecser, Boglárka AU - Geier, Norbert AU - Pomázi, Ákos TI - Comparative study of flame retardancy in polyimine vitrimers and composites: Evaluating additive and reactive flame retardants acting via gas-, solid-, and combined-phase mechanisms JF - JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY J2 - J MATER SCI TECHNOL VL - 196 PY - 2024 SP - 101 EP - 111 PG - 11 SN - 1005-0302 DO - 10.1016/j.jmst.2024.01.047 UR - https://m2.mtmt.hu/api/publication/34822025 ID - 34822025 N1 - Department of Polymer Engineering, Faculty of Mechanical Engineering, Budapest University of Technology and Economics, H-1111 Budapest, Műegyetem rkp. 3, Hungary MTA-BME Lendület Sustainable Polymers Research Group, Műegyetem rkp. 3, H-1111, Budapest, Hungary Budapest University of Technology and Economics, Faculty of Mechanical Engineering, Department of Manufacturing Science and Engineering, Műegyetem rkp. 3., Budapest 1111, Hungary Department of Organic Chemistry and Technology, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, H-1111 Budapest, Műegyetem rkp. 3, Hungary HUN-REN–BME Research Group for Composite Science and Technology, Műegyetem rkp. 3., H-1111, Budapest, Hungary Export Date: 26 April 2024 CODEN: JSCTE Correspondence Address: Toldy, A.; Department of Polymer Engineering, H-1111 Budapest, Műegyetem rkp. 3, Hungary; email: atoldy@edu.bme.hu AB - 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 LA - English DB - MTMT ER - TY - JOUR AU - Meiszter, Enikő AU - Gazdag, Tamás AU - Mayer, Péter J. AU - Kunfi, Attila AU - Holczbauer, Tamás AU - Sulyok-Eiler, Máté AU - London, Gábor TI - Revisiting Hafner’s Azapentalenes: The Chemistry of 1,3-Bis(dimethylamino)-2-azapentalene JF - JOURNAL OF ORGANIC CHEMISTRY J2 - J ORG CHEM PY - 2024 PG - 11 SN - 0022-3263 DO - 10.1021/acs.joc.3c02564 UR - https://m2.mtmt.hu/api/publication/34821706 ID - 34821706 AB - 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. LA - English DB - MTMT ER - TY - JOUR AU - el Battioui, Kamal AU - Chakraborty, Sohini AU - Wacha, András AU - Molnár, Dániel AU - Quemé-Peña, Mayra AU - Szigyártó, Imola Cs. AU - Szabó, Csenge Lilla AU - Bodor, Andrea AU - Horváti, Kata AU - Gyulai, Gergő AU - Bősze, Szilvia AU - Mihály, Judith AU - Jezsó, Bálint AU - Románszki, Loránd AU - Tóth, Judit AU - Varga, Zoltán AU - Mándity, István AU - Juhász, Tünde AU - Beke-Somfai, Tamás TI - In situ captured antibacterial action of membrane-incising peptide lamellae JF - NATURE COMMUNICATIONS J2 - NAT COMMUN VL - 15 PY - 2024 IS - 1 PG - 14 SN - 2041-1723 DO - 10.1038/s41467-024-47708-4 UR - https://m2.mtmt.hu/api/publication/34819821 ID - 34819821 AB - Developing unique mechanisms of action are essential to combat the growing issue of antimicrobial resistance. Supramolecular assemblies combining the improved biostability of non-natural compounds with the complex membrane-attacking mechanisms of natural peptides are promising alternatives to conventional antibiotics. However, for such compounds the direct visual insight on antibacterial action is still lacking. Here we employ a design strategy focusing on an inducible assembly mechanism and utilized electron microscopy (EM) to follow the formation of supramolecular structures of lysine-rich heterochiral β 3 -peptides, termed lamellin-2K and lamellin-3K, triggered by bacterial cell surface lipopolysaccharides. Combined molecular dynamics simulations, EM and bacterial assays confirmed that the phosphate-induced conformational change on these lamellins led to the formation of striped lamellae capable of incising the cell envelope of Gram-negative bacteria thereby exerting antibacterial activity. Our findings also provide a mechanistic link for membrane-targeting agents depicting the antibiotic mechanism derived from the in-situ formation of active supramolecules. LA - English DB - MTMT ER - TY - JOUR AU - Do Thi, Huyen Trang AU - Tóth, András József TI - Environmental evaluation and comparison of hybrid separation methods based on distillation and pervaporation for dehydration of binary alcohol mixtures with Life Cycle, PESTLE, and Multi-Criteria Decision Analyses JF - SEPARATION AND PURIFICATION TECHNOLOGY J2 - SEP PURIF TECHNOL VL - 348 PY - 2024 PG - 16 SN - 1383-5866 DO - 10.1016/j.seppur.2024.127684 UR - https://m2.mtmt.hu/api/publication/34818910 ID - 34818910 LA - English DB - MTMT ER - TY - JOUR AU - Szirmai, Ádám B. AU - Hégely, Bence AU - Tajti, Attila AU - Kállay, Mihály AU - Szalay, Péter TI - Projected Atomic Orbitals As Optimal Virtual Space for Excited State Projection-Based Embedding Calculations JF - JOURNAL OF CHEMICAL THEORY AND COMPUTATION J2 - J CHEM THEORY COMPUT PY - 2024 PG - 6 SN - 1549-9618 DO - 10.1021/acs.jctc.4c00104 UR - https://m2.mtmt.hu/api/publication/34818727 ID - 34818727 N1 - Funding Agency and Grant Number: Nemzeti Kutat?si, Fejleszt?si ?s Innovaci?s Alap [142634, KKP126451]; National Research, Innovation and Development Fund (NKFIA) of Hungary Funding text: This work has been supported by the National Research, Innovation and Development Fund (NKFIA) of Hungary Grant Nos. 142634 and KKP126451. The authors thank Bonis Barcza for discussions. LA - English DB - MTMT ER - TY - JOUR AU - Kfoury, Joseph AU - Oláh, Julianna TI - Role of Lewis acid/base anchor atoms in catalyst regeneration: a comprehensive study on biomimetic EP3Fe nitrogenases JF - PHYSICAL CHEMISTRY CHEMICAL PHYSICS J2 - PHYS CHEM CHEM PHYS VL - 26 PY - 2024 IS - 16 SP - 12520 EP - 12529 PG - 10 SN - 1463-9076 DO - 10.1039/d4cp00483c UR - https://m2.mtmt.hu/api/publication/34812401 ID - 34812401 N1 - Funding Agency and Grant Number: Hungarian Scientific Research Fund (NKFIH) [K146661]; National Research, Development and Innovation Fund of Hungary under the 2018-1.2.1-NKP funding scheme [2018-1.2.1-NKP-2018-00005]; Stipendium Hungaricum Fellowship of the Tempus Public Foundation Funding text: The authors thank the financial support of the Hungarian Scientific Research Fund (NKFIH) through grant K146661. Project no. 2018-1.2.1-NKP-2018-00005 has been implemented with the support provided from the National Research, Development and Innovation Fund of Hungary, financed under the 2018-1.2.1-NKP funding scheme. J. K. thanks the support of the Stipendium Hungaricum Fellowship of the Tempus Public Foundation. We acknowledge KIFU for awarding us access to supercomputing resources in Hungary at Debrecen, and to Komondor. AB - In the quest for sustainable ammonia synthesis routes, biomimetic complexes have been intensively studied. Here we focus on the Peter's group Fe-nitrogenase catalyst with EPPP scorpionate ligands, and explore the effect of anchor atom selection (B, Al, Ga, N and P) and the impact of chloro substitution on the phenyl rings on nitrogen fixation. The reaction profiles of complexes with Lewis basic anchor atoms exhibited energy-demanding reduction steps, with more exergonic protonation steps compared to the smoother reaction profiles observed for catalysts with Lewis acid anchor atoms, also implying that catalyst regeneration is especially challenging for catalysts with Lewis basic anchor atoms. The binding affinities of N-2 and H-2 to the complexes suggest that the autocatalytic hydrogen evolution reaction (HER), which ultimately leads to consumption of reactants and catalyst deactivation, is likely to become more prevalent for heavier anchor atoms and be more significant for Lewis basic anchor atom complexes. Out of the studied complexes, boron showed the smoothest reaction profile and the smallest affinity for H-2, which supports its superiour role as an anchor atom in accordance with experimental data. LA - English DB - MTMT ER -