@article{MTMT:34797366, title = {Improving the Stability and Kinetic Inertness of Mn(II) Complexes by Increasing the Bridge Length in Bicyclic CDTA‐like Ligands}, url = {https://m2.mtmt.hu/api/publication/34797366}, author = {Martinelli, Jonathan and Romano, Elisabetta and Laczovics, Attila and Horváth, Dávid and Grattoni, Elena and Baranyai, Zsolt and Tei, Lorenzo}, doi = {10.1002/chem.202400570}, journal-iso = {CHEM-EUR J}, journal = {CHEMISTRY-A EUROPEAN JOURNAL}, unique-id = {34797366}, issn = {0947-6539}, abstract = {Kinetic inertness of Mn(II)‐based MRI contrast agents can be improved by increasing the rigidity of the polydentate ligand that tightly coordinate the metal ion. Taking inspiration from the remarkable increase in kinetic inertness of [Mn(CDTA)]2‐ compared to [Mn(EDTA)]2‐ due to the cyclohexyl backbone rigidity, we devised that bicyclic ligands would further improve the kinetic inertness of the Mn(II) complexes. The length of the alkyl bridge on the cyclohexane ring was varied from methylene (BCH‐DTA), ethylene (BCO‐DTA) to propylene (BCN‐DTA) to evaluate the influence of the different trans‐diaminotetraacetate ligands on relaxometric, thermodynamic and kinetic properties of the Mn(II)‐complexes. 1H and 17O NMR relaxometric studies showed a slight increase in relaxivity and a faster water exchange rate in these Mn(II)‐complexes with respect to [Mn(CDTA)]2‐. Solution studies revealed that the conditional stability (pMn) and dissociation half‐life (t1/2) at pH 7.4 follow the order [Mn(BCH‐DTA)]2‐ < [Mn(BCO‐DTA)]2‐ < [Mn(BCN‐DTA)]2‐ by highlighting the effect of the bridge length on the overall stability of the Mn(II)‐complexes. Remarkably, [Mn(BCN‐DTA)]2‐ shows an improved pMn value and a 7‐times higher kinetic inertness than [Mn(CDTA)]2‐. NMR studies on the Zn(II) analogues confirm the rigidity of the bicyclic complexes with an isomerization process at >313K for the smaller bridged complex [Zn(BCH‐DTA)]2‐}, year = {2024}, eissn = {1521-3765}, orcid-numbers = {Baranyai, Zsolt/0000-0001-6844-7974} } @article{MTMT:34749525, title = {Synthesis of spiro[piperidine-4,3′-pyrrolo[3,4-c]quinolines via 1,3-dipolar cycloaddition of azomethine ylides and 3-Nitro-2(1H)-quinolones}, url = {https://m2.mtmt.hu/api/publication/34749525}, author = {Molnár, Márk and Gáti, Tamás and Bényei, Attila Csaba and Nyerges, Miklós}, doi = {10.1016/j.tetlet.2024.155001}, journal-iso = {TETRAHEDRON LETT}, journal = {TETRAHEDRON LETTERS}, volume = {139}, unique-id = {34749525}, issn = {0040-4039}, keywords = {X-ray diffraction; PIPERIDINE; 1,3-Dipolar cycloaddition; Quinolines; Azomethine ylide}, year = {2024}, eissn = {1873-3581} } @{MTMT:34744028, title = {Hydrogen Storage and Recovery with the Use of Chemical Batteries}, url = {https://m2.mtmt.hu/api/publication/34744028}, author = {Horváth, Henrietta and Papp, Gábor Csaba and Kathó, Ágnes and Joó, Ferenc}, booktitle = {Catalysis for a Sustainable Environment}, doi = {10.1002/9781119870647.ch37}, unique-id = {34744028}, year = {2024}, pages = {819-845} } @article{MTMT:34742565, title = {“Inverted” Cyclic(Alkyl)(Amino)Carbene (CAAC) Ruthenium Complex Catalyzed Isomerization Metathesis (ISOMET) of Long Chain Olefins to Propylene at Low Ethylene Pressure}, url = {https://m2.mtmt.hu/api/publication/34742565}, author = {Farkas, Vajk and Csókás, Dániel and Erdélyi, Ádám and Turczel, Gábor and Bényei, Attila Csaba and Nagy, Tibor and Kéki, Sándor and Pápai, Imre and Tuba, Róbert}, doi = {10.1002/advs.202400118}, journal-iso = {ADV SCI}, journal = {ADVANCED SCIENCE}, volume = {11}, unique-id = {34742565}, abstract = {Isomerization Metathesis (ISOMET) reaction is an emerging tool for “open loop” chemical recycling of polyethylene to propylene. Novel, latent N ‐Alkyl substituted Cyclic(Alkyl)(Amino)Carbene (CAAC)–ruthenium catalysts ( 5a‐Ru , 3b‐Ru – 6c‐Ru ) are developed rendering “inverted” chemical structure while showing enhanced ISOMET activity in combination with (RuHCl)(CO)(PPh 3 ) 3 ( RuH ) double bond isomerization co‐catalyst. Systematic investigations reveal that the steric hindrance of the substituents on nitrogen and carbon atom adjacent to carbene moiety in the CAAC ligand have significantly improved the catalytic activity and robustness. In contrast to the NHC‐Ru and CAAC‐Ru catalyst systems known so far, these systems show higher isomerization metathesis (ISOMET) activity (TON: 7400) on the model compound 1‐octadecene at as low as 3.0 bar optimized pressure, using technical grade (3.0) ethylene. The propylene content formed in the gas phase can reach up to 20% by volume.}, year = {2024}, eissn = {2198-3844}, orcid-numbers = {Farkas, Vajk/0000-0002-1189-0032; Csókás, Dániel/0000-0002-4150-477X; Erdélyi, Ádám/0009-0008-0715-8907; Turczel, Gábor/0000-0002-6753-6796; Nagy, Tibor/0000-0001-8568-914X; Pápai, Imre/0000-0002-4978-0365; Tuba, Róbert/0000-0001-8929-2713} } @article{MTMT:34630364, title = {Study of phosphate sorption on rendzina soil by heterogeneous isotopic exchange: a biexponential kinetic model}, url = {https://m2.mtmt.hu/api/publication/34630364}, author = {Vörös, Zoltán János and Kónya, József and M. Nagy, Noémi}, doi = {10.1007/s10967-023-09325-1}, journal-iso = {J RADIOANAL NUCL CHEM}, journal = {JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY}, unique-id = {34630364}, issn = {0236-5731}, keywords = {Langmuir isotherm; Heterogeneous isotopic exchange; Biexponential kinetic model; Weakly bonded phosphate; Phosphate sorption on soil}, year = {2024}, eissn = {1588-2780} } @article{MTMT:34579892, title = {Exploring the Limits of Ligand Rigidification in Transition Metal Complexes with Mono- N -Functionalized Pyclen Derivatives}, url = {https://m2.mtmt.hu/api/publication/34579892}, author = {Nizou, Gwladys and Garda, Zoltán and Molnár, Enikő and Esteban-Gómez, David and Le Fur, Mariane and Fougère, Olivier and Rousseaux, Olivier and Platas-Iglesias, Carlos and Tripier, Raphaël and Tircsó, Gyula and Beyler, Maryline}, doi = {10.1021/acs.inorgchem.3c04451}, journal-iso = {INORG CHEM}, journal = {INORGANIC CHEMISTRY}, unique-id = {34579892}, issn = {0020-1669}, year = {2024}, eissn = {1520-510X}, orcid-numbers = {Esteban-Gómez, David/0000-0001-6270-1660; Platas-Iglesias, Carlos/0000-0002-6989-9654; Tripier, Raphaël/0000-0001-9364-788X; Tircsó, Gyula/0000-0002-7896-7890; Beyler, Maryline/0000-0002-6540-970X} } @article{MTMT:34558240, title = {Családi kapcsolatok a Magyar Tudományos Akadémia tagjai között • Family Relations among Members of the Hungarian Academy of Sciences}, url = {https://m2.mtmt.hu/api/publication/34558240}, author = {Bazsa, György}, doi = {10.1556/2065.185.2024.2.9}, journal-iso = {MAGYAR TUDOMÁNY}, journal = {MAGYAR TUDOMÁNY}, volume = {185}, unique-id = {34558240}, issn = {0025-0325}, abstract = {Összegyűjtöttük a Magyar Tudományos Akadémia egykori és mai tagjai közötti családi kapcsolatokat. A családi háttérnek bizonyára szerepe van már a tudományos pálya választásában is, és a család akadémikus tagjainak alighanem van segítő, serkentő hatásuk abban, hogy a tehetséges kutató eljusson a hazai tudományos elismerés ezen magas szintjére. Az MTA eddigi 3304 tagja közül 405 akadémikus esetén találtunk valamilyen családi-rokoni kapcsolatot.}, year = {2024}, eissn = {1588-1245}, pages = {260-265} } @article{MTMT:34555466, title = {Ruthenium complexes of new chiral phosphine‐amine‐ether ligands (Ru‐PNO) for asymmetric hydrogenation – the role of backbone chirality in pincer ligand design}, url = {https://m2.mtmt.hu/api/publication/34555466}, author = {Császár, Zsófia and Pőrgye, Zsanett E. and Farsang, Evelin and Kovács, Margit and Bényei, Attila Csaba and Bakos, József and Farkas, Gergely}, doi = {10.1002/aoc.7379}, journal-iso = {APPL ORGANOMET CHEM}, journal = {APPLIED ORGANOMETALLIC CHEMISTRY}, unique-id = {34555466}, issn = {0268-2605}, abstract = {New chiral phosphine‐amine‐ether (PNO) ligands of the general formula Ph 2 PCH(R 1 )(CH 2 ) n CH(R 1 )N(R 2 )CH(R 3 )CH 2 OMe, where R 1 , R 2 , and R 3 = H or Me, n = 0 or 1, and their ruthenium complexes of the type [RuCl 2 (PPh 3 )(PNO)] have been synthesized. The coordination compounds were characterized by 1D and 2D NMR spectroscopy, modeled by DFT calculations, and in one case analyzed by X‐ray crystallography. The combined spectroscopic and theoretical investigations revealed that the relative configuration of the stereogenic elements in the P–N and N–O backbone represents a crucial factor in determining the conformation of the pincer‐type chelates and may also affect the configuration of the coordinated stereogenic nitrogen in the NH subunit, an essential element of stereochemical communication in outer sphere bifunctional catalysis. The new complexes were applied in the asymmetric hydrogenation of fused ring bicyclic ketones (i.e., 1‐tetralone and 4‐chromanone derivatives), a challenging substrate class, where enantioselectivities up to 97% could be obtained. Based on the spectroscopic and theoretical studies and catalytic experiments, structural features affecting the stereochemistry of the coordination could be identified and a qualitative enantioinduction model has been proposed.}, keywords = {asymmetric hydrogenation; Chromanone}, year = {2024}, eissn = {1099-0739}, orcid-numbers = {Császár, Zsófia/0000-0002-7211-4790; Pőrgye, Zsanett E./0009-0007-1600-9316; Farsang, Evelin/0000-0003-2484-0920} } @article{MTMT:34540893, title = {Feasibility study of multisensor systems for the assessment of water pollution index induced by heavy metal contamination}, url = {https://m2.mtmt.hu/api/publication/34540893}, author = {Iurgenson, Nika and Wang, Xinyi and Kong, Liubing and Sun, Xianyou and Legin, Andrey and Wang, Ping and Wan, Hao and Kirsanov, Dmitry}, doi = {10.1016/j.microc.2023.109762}, journal-iso = {MICROCHEM J}, journal = {MICROCHEMICAL JOURNAL}, volume = {197}, unique-id = {34540893}, issn = {0026-265X}, year = {2024}, eissn = {1095-9149}, orcid-numbers = {Kirsanov, Dmitry/0000-0002-5667-6910} } @article{MTMT:34535625, title = {Structural, stability and relaxation features of lanthanide‐complexes designed for multimodal imaging detection of enzyme activities}, url = {https://m2.mtmt.hu/api/publication/34535625}, author = {Laine, Sophie and Jouclas, Rémy and Bonnet, Célia S and Retailleau, Pascal and Steinmetz, Vincent and Pallier, Agnès and Garda, Zoltán and Tircsó, Gyula and Durand, Philippe and Jakabné Tóth, Éva}, doi = {10.1002/ejic.202300784}, journal-iso = {EUR J INORG CHEM}, journal = {EUROPEAN JOURNAL OF INORGANIC CHEMISTRY}, unique-id = {34535625}, issn = {1434-1948}, abstract = {Lanthanide complexes of DO3A‐derivative ligands bearing a pyridine‐carbamate (L1) or pyridine‐amine (L2) arm have potential interest in the design of enzymatically activated imaging probes. Solid‐state X‐ray structures for CeL1 and YbL2 both demonstrate twisted square antiprismatic geometry, with the metal ion in a nine‐ or an eight‐coordinate environment, respectively. As assessed by pH‐potentiometry, in solution lanthanide ions form more stable complexes with the nonadentate L1 than with the octadentate L2 ligand (logKML = 18.7‐21.1 vs. 16.7‐18.6, respectively), while stability constants are similar for L1 and L2 chelates of Mg2+, Ca2+, Zn2+ or Cu2+. The kinetic inertness of GdL1 is exceptionally high with an estimated dissociation half‐life ~108 h at pH 7.4, while LnL2 (Ln = Ce, Gd, Yb) complexes have 3‐4 orders of magnitude faster dissociation, related to the presence of the protonatable, non‐coordinating amine function. The water exchange rate determined for the monohydrated GdL2 (kex298 = 1.3×106 s‐1) shows a threefold decrease with respect to GdDOTA, as a consequence of a reduction in the negative charge and in the steric crowding around the water binding site, both important in dissociatively activated water exchange processes.}, year = {2024}, eissn = {1099-0682}, orcid-numbers = {Tircsó, Gyula/0000-0002-7896-7890; Jakabné Tóth, Éva/0000-0002-3200-6752} }