@article{MTMT:34753165, title = {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}, url = {https://m2.mtmt.hu/api/publication/34753165}, author = {Béres, Kende Attila and Dürvanger, Zsolt and Homonnay, Zoltán and Nagyné Bereczki, Laura and Barta Holló, Berta and Farkas, Attila and Petruševski, Vladimir M. and Kótai, László}, doi = {10.3390/inorganics12040094}, journal-iso = {INORGANICS}, journal = {INORGANICS}, volume = {12}, unique-id = {34753165}, abstract = {[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.}, year = {2024}, eissn = {2304-6740}, pages = {94}, orcid-numbers = {Béres, Kende Attila/0000-0003-4257-0581; Dürvanger, Zsolt/0000-0002-2652-4916; Homonnay, Zoltán/0000-0001-5299-5394; Barta Holló, Berta/0000-0002-5786-442X; Farkas, Attila/0000-0002-8877-2587} } @mastersthesis{MTMT:34784970, title = {Molekuláris felismerés vizsgálata fehérje - peptid komplexek körében}, url = {https://m2.mtmt.hu/api/publication/34784970}, author = {Dürvanger, Zsolt}, publisher = {Eötvös Loránd University}, unique-id = {34784970}, year = {2023}, orcid-numbers = {Dürvanger, Zsolt/0000-0002-2652-4916} } @article{MTMT:34084209, title = {Polymorphic amyloid nanostructures of hormone peptides involved in glucose homeostasis display reversible amyloid formation}, url = {https://m2.mtmt.hu/api/publication/34084209}, author = {Horváth, Dániel and Dürvanger, Zsolt and Karancsiné Menyhárd, Dóra and Sulyok-Eiler, Máté and Bencs, Fruzsina and Gyulai, Gergő and Horváth, Péter and Taricska, Nóra and Perczel, András}, doi = {10.1038/s41467-023-40294-x}, journal-iso = {NAT COMMUN}, journal = {NATURE COMMUNICATIONS}, volume = {14}, unique-id = {34084209}, issn = {2041-1723}, abstract = {A large group of hormones are stored as amyloid fibrils in acidic secretion vesicles before they are released into the bloodstream and readopt their functional state. Here, we identify an evolutionarily conserved hexapeptide sequence as the major aggregation-prone region (APR) of gastrointestinal peptides of the glucagon family: xFxxWL. We determine nine polymorphic crystal structures of the APR segments of glucagon-like peptides 1 and 2, and exendin and its derivatives. We follow amyloid formation by CD, FTIR, ThT assays, and AFM. We propose that the pH-dependent changes of the protonation states of glutamate/aspartate residues of APRs initiate switching between the amyloid and the folded, monomeric forms of the hormones. We find that pH sensitivity diminishes in the absence of acidic gatekeepers and amyloid formation progresses over a broad pH range. Our results highlight the dual role of short aggregation core motifs in reversible amyloid formation and receptor binding.}, year = {2023}, eissn = {2041-1723}, orcid-numbers = {Horváth, Dániel/0000-0001-8239-3933; Dürvanger, Zsolt/0000-0002-2652-4916; Karancsiné Menyhárd, Dóra/0000-0002-0095-5531; Sulyok-Eiler, Máté/0000-0002-3968-8776; Bencs, Fruzsina/0009-0003-9246-2228; Gyulai, Gergő/0000-0002-1352-2014; Horváth, Péter/0000-0001-7149-4173; Taricska, Nóra/0000-0002-9721-953X; Perczel, András/0000-0003-1252-6416} } @article{MTMT:34037505, title = {Crystal Nanoarchitectonics and Characterization of the Octahedral Iron(III)–Nitrate Complexes with Isomer Dimethylurea Ligands}, url = {https://m2.mtmt.hu/api/publication/34037505}, author = {Béres, Kende Attila and Homonnay, Zoltán and Nagyné Bereczki, Laura and Dürvanger, Zsolt and Petruševski, Vladimir M. and Farkas, Attila and Kótai, László}, doi = {10.3390/cryst13071019}, journal-iso = {CRYSTALS}, journal = {CRYSTALS}, volume = {13}, unique-id = {34037505}, abstract = {Three octahedral iron(III) nitrate complexes with dimethylated urea ligand isomers, [hexakis(N,N’-dimethylurea-O)iron(III)] nitrate (compound 1), trans-[diaquatetrakis(N,N-dimethylurea-O)iron(III)] nitrate (compound 2), and [hexakis(N,N-dimethylurea-O)iron(III)] nitrate trihydrate (compound 3) were prepared and characterized with single crystal X-ray diffraction, IR, Raman and UV–Vis methods. In compounds 1 and 3, six dimethylurea ligands coordinate to the central FeIII ion via the oxygen in octahedral geometry and the ligands are arranged in a propeller-like manner, dividing the complex cations into two sides. In compound 1, the dimethylurea propellers screw in the opposite direction on the two sides of the complex and in compound 3, they are arranged with the same handedness on the two sides. The complexes have helical chirality. The two sides of the complex cations differ not only in the rotation direction of the ligands but also in the hydrogen bond formation. On one side of the complex cation, the ligands form intermolecular hydrogen bonds only with the crystal waters, meanwhile on the other side of the complex, the ligands form hydrogen bonds only with the nitrate ions. In compound 2, [Fe(N,N-dimethylurea)4(H2O)2]3+ cations form layers that are separated by interconnected NO3− ions forming a hydrogen bonding system and connecting the complex cations A-s and B-s. The three crystallographically different nitrate ions each form four hydrogen bonds in a way that they have one bidentate O atom and two monodentate O atoms; however, the anions differ in their hydrogen bonding. The spectroscopic characteristics of compound 2 were determined by IR measurements on the deuterated compound 2 as well.}, year = {2023}, eissn = {2073-4352}, orcid-numbers = {Béres, Kende Attila/0000-0003-4257-0581; Homonnay, Zoltán/0000-0001-5299-5394; Dürvanger, Zsolt/0000-0002-2652-4916; Petruševski, Vladimir M./0000-0002-4796-4929; Farkas, Attila/0000-0002-8877-2587} } @article{MTMT:33696970, title = {Structures of calmodulin-melittin complexes show multiple binding modes lacking classical anchoring interactions}, url = {https://m2.mtmt.hu/api/publication/33696970}, author = {Dürvanger, Zsolt and Juhász, Tünde and Liliom, Károly and Harmat, Veronika}, doi = {10.1016/j.jbc.2023.104596}, journal-iso = {J BIOL CHEM}, journal = {JOURNAL OF BIOLOGICAL CHEMISTRY}, volume = {299}, unique-id = {33696970}, issn = {0021-9258}, abstract = {Calmodulin (CaM) is a Ca2+ sensor protein found in all eukaryotic cells that regulates a large number of target proteins in a Ca2+ concentration-dependent manner. As a transient type hub protein, it recognizes linear motifs of its targets, though for the Ca2+-dependent binding no consensus sequence was identified. Its complex with melittin, a major component of bee venom, is often used as a model system of protein - protein complexes. Yet, the structural aspects of the binding are not well understood, as only diverse, low-resolution data are available concerning the association. We present the crystal structure of melittin in complex with Ca2+-saturated calmodulins from two, evolutionarily distant species, Homo sapiens and Plasmodium falciparum representing three binding modes of the peptide. Results - augmented by molecular dynamics simulations - indicate that multiple binding modes can exist for CaM-melittin complexes, as an intrinsic characteristic of the binding. While the helical structure of melittin remains, swapping of its salt bridges and partial unfolding of its C-terminal segment can occur. In contrast to the classical way of target recognition by CaM, we found that different sets of residues can anchor at the hydrophobic pockets of CaM, which were considered as main recognition sites. Finally, the nanomolar binding affinity of the CaM-melittin complex is created by an ensemble of arrangements of similar stability - tight binding is achieved not by optimized specific interactions but by simultaneously satisfying less optimal interaction patterns in co-existing different conformers.}, keywords = {crystal structure; molecular dynamics; PROTEIN COMPLEX; Protein-protein interaction; fuzzy complex; calmodulin (CaM); linear motif-binding hub protein; multiple binding modes; polymorphic protein-protein complex}, year = {2023}, eissn = {1083-351X}, orcid-numbers = {Dürvanger, Zsolt/0000-0002-2652-4916; Liliom, Károly/0000-0002-7177-6872; Harmat, Veronika/0000-0002-1866-9904} } @article{MTMT:33628427, title = {Synthesis, structure, and Mössbauer spectroscopic studies on the heat-induced solid-phase redox reactions of hexakis(urea-O)iron(III) peroxodisulfate}, url = {https://m2.mtmt.hu/api/publication/33628427}, author = {Béres, Kende Attila and Homonnay, Zoltán and Barta Holló, B. and Gracheva, Maria and Petruševski, V.M. and Farkas, Attila and Dürvanger, Zsolt and Kótai, László}, doi = {10.1557/s43578-022-00794-w}, journal-iso = {J MATER RES}, journal = {JOURNAL OF MATERIALS RESEARCH}, volume = {38}, unique-id = {33628427}, issn = {0884-2914}, abstract = {Anhydrous hexakis(urea-O)iron(III)]peroxydisulfate ([Fe(urea-O) 6 ] 2 (S 2 O 8 ) 3 (compound 1 ), and its deuterated form were prepared and characterized with single-crystal X-ray diffraction and spectroscopic (IR, Raman, UV, and Mössbauer) methods. Six crystallographically different urea ligands coordinate via their oxygen in a propeller-like arrangement to iron(III) forming a distorted octahedral complex cation. The octahedral arrangement of the complex cation and its packing with two crystallographically different persulfate anions is stabilized by extended intramolecular (N–H⋯O = C) and intermolecular (N–H⋯O–S) hydrogen bonds. The two types of peroxydisulfate anions form different kinds and numbers of hydrogen bonds with the neighboring [hexakis(urea-O) 6 iron(III)] 3+ cations. There are spectroscopically six kinds of urea and three kinds (2 + 1) of persulfate ions in compound 1 , thus to distinguish the overlapping bands belonging to internal and external vibrational modes, deuteration of compound 1 and low-temperature Raman measurements were also carried out, and the bands belonging to the vibrational modes of urea and persulfate ions have been assigned. The thermal decomposition of compound 1 was followed by TG-MS and DSC methods in oxidative and inert atmospheres as well. The decomposition starts at 130 °C in inert atmosphere with oxidation of a small part of urea (~ 1 molecule), which supports the heat demand of the transformation of the remaining urea into ammonia and biuret/isocyanate. The next step of decomposition is the oxidation of ammonia into N 2 along with the formation of SO 2 (from sulfite). The main solid product proved to be (NH 4 ) 3 Fe(SO 4 ) 3 in air. In inert atmosphere, some iron(II) compound also formed. The thermal decomposition of (NH 4 ) 3 Fe(SO 4 ) 3 via NH 4 Fe(SO 4 ) 2 formation resulted in α -Fe 2 O 3 . The decomposition pathway of NH 4 Fe(SO 4 ) 2 , however, depends on the experimental conditions. NH 4 Fe(SO 4 ) 2 transforms into Fe 2 (SO 4 ) 3 , N 2 , H 2 O, and SO 2 at 400 °C, thus the precursor of α -Fe 2 O 3 is Fe 2 (SO 4 ) 3 . Above 400 °C (at isotherm heating), however, the reduction of iron(III) centers was also observed. FeSO 4 formed in 27 and 75% at 420 and 490 °C, respectively. FeSO 4 also turns into α -Fe 2 O 3 and SO 2 on further heating.}, year = {2023}, eissn = {2044-5326}, pages = {1102-1118}, orcid-numbers = {Béres, Kende Attila/0000-0003-4257-0581; Homonnay, Zoltán/0000-0001-5299-5394; Gracheva, Maria/0000-0001-5245-8425; Farkas, Attila/0000-0002-8877-2587; Dürvanger, Zsolt/0000-0002-2652-4916} } @article{MTMT:33610854, title = {Structural, Spectroscopic, and Thermal Decomposition Features of [Carbonatotetraamminecobalt(III)] Iodide—Insight into the Simultaneous Solid-Phase Quasi-Intramolecular Redox Reactions}, url = {https://m2.mtmt.hu/api/publication/33610854}, author = {Béres, Kende Attila and Szilágyi, Fanni and Homonnay, Zoltán and Dürvanger, Zsolt and Nagyné Bereczki, Laura and Trif, László and Petruševski, Vladimir M. and Farkas, Attila and Bayat, Niloofar and Kótai, László}, doi = {10.3390/inorganics11020068}, journal-iso = {INORGANICS}, journal = {INORGANICS}, volume = {11}, unique-id = {33610854}, abstract = {[κ2-O,O′-Carbonatotetraamminecobalt(III)] iodide, or [Co(NH3)4CO3]I, named in this paper as compound 1, was prepared and characterized comprehensively with spectroscopic (IR, Raman and UV) and single-crystal X-ray diffraction methods. Compound 1 was orthorhombic, and isomorphous with the analogous bromide. The four ammonia ligands and the carbonate anion were coordinated to the central cobalt cation in a distorted octahedral geometry. The carbonate ion formed a four-membered symmetric planar chelate ring. The complex cations were bound to each other by N-H···O hydrogen bonds and formed zigzag sheets via an extended 2D hydrogen bond network. The complex cations and iodide ions were arranged into ion pairs and each cation bound its iodide pair through three hydrogen bonds. The thermal decomposition started with the oxidation of the iodide ion by CoIII in the solid phase resulting in [Co(NH3)4CO3] and I2. This intermediate CoII-complex in situ decomposed into Co3O4 and C-N bond containing intermediates. In inert atmosphere, CO or C-N bond containing compounds, and also, due to the in situ decomposition of CoCO3 intermediate, Co3O4 was formed. The quasi-intramolecular solid-phase redox reaction of [Co(NH3)4CO3] might have resulted in the formation of C-N bond containing compounds with substoichiometric release of ammonia and CO2 from compound 1. The C-N bond containing intermediates reduced Co3O4 into CoO and Co, whereas in oxygen-containing atmosphere, the end-product was Co3O4, even at 200 °C, and the endothermic ligand loss reaction coincided with the consecutive exothermic oxidation processes.}, year = {2023}, eissn = {2304-6740}, orcid-numbers = {Béres, Kende Attila/0000-0003-4257-0581; Homonnay, Zoltán/0000-0001-5299-5394; Dürvanger, Zsolt/0000-0002-2652-4916; Trif, László/0000-0002-3960-1829; Petruševski, Vladimir M./0000-0002-4796-4929; Farkas, Attila/0000-0002-8877-2587} } @article{MTMT:33076479, title = {Thermally Induced Solid-Phase Quasi-Intramolecular Redox Reactions of [Hexakis(urea-O)iron(III)] Permanganate: An Easy Reaction Route to Prepare Potential (Fe,Mn)O x Catalysts for CO2 Hydrogenation}, url = {https://m2.mtmt.hu/api/publication/33076479}, author = {Béres, Kende Attila and Homonnay, Zoltán and Kvitek, L and Dürvanger, Zsolt and Kubikova, M and Harmat, Veronika and Szilágyi, F and Czégény, Zsuzsanna and Németh, Péter and Nagyné Bereczki, Laura and Petruševski, VM. and Pápai, Mátyás Imre and Farkas, Attila and Kótai, László}, doi = {10.1021/acs.inorgchem.2c02265}, journal-iso = {INORG CHEM}, journal = {INORGANIC CHEMISTRY}, volume = {61}, unique-id = {33076479}, issn = {0020-1669}, year = {2022}, eissn = {1520-510X}, pages = {14403-14418}, orcid-numbers = {Béres, Kende Attila/0000-0003-4257-0581; Homonnay, Zoltán/0000-0001-5299-5394; Kvitek, L/0000-0003-2005-560X; Dürvanger, Zsolt/0000-0002-2652-4916; Harmat, Veronika/0000-0002-1866-9904; Németh, Péter/0000-0001-5592-5877; Pápai, Mátyás Imre/0000-0002-4819-0611; Farkas, Attila/0000-0002-8877-2587} } @article{MTMT:32778843, title = {Directed Evolution-Driven Increase of Structural Plasticity Is a Prerequisite for Binding the Complement Lectin Pathway Blocking MASP-Inhibitor Peptides}, url = {https://m2.mtmt.hu/api/publication/32778843}, author = {Dürvanger, Zsolt and Boros, Eszter and Nagy, Zoltán Attila and Hegedüs, Rózsa and Megyeri, Márton and Dobó, József and Gál, Péter and Schlosser, Gitta (Vácziné) and Ángyán, Annamária F. and Gáspári, Zoltán and Perczel, András and Harmat, Veronika and Mező, Gábor and Karancsiné Menyhárd, Dóra and Pál, Gábor}, doi = {10.1021/acschembio.2c00114}, journal-iso = {ACS CHEM BIOL}, journal = {ACS CHEMICAL BIOLOGY}, volume = {17}, unique-id = {32778843}, issn = {1554-8929}, year = {2022}, eissn = {1554-8937}, pages = {969-986}, orcid-numbers = {Dürvanger, Zsolt/0000-0002-2652-4916; Nagy, Zoltán Attila/0000-0001-7687-1011; Dobó, József/0000-0001-9187-8502; Schlosser, Gitta (Vácziné)/0000-0002-7637-7133; Ángyán, Annamária F./0000-0002-2283-7341; Gáspári, Zoltán/0000-0002-8692-740X; Perczel, András/0000-0003-1252-6416; Harmat, Veronika/0000-0002-1866-9904; Mező, Gábor/0000-0002-7618-7954; Karancsiné Menyhárd, Dóra/0000-0002-0095-5531; Pál, Gábor/0000-0001-7868-7971} } @article{MTMT:32163599, title = {Dynamic disorder in the high-temperature polymorph of bis[diamminesilver(I)] sulfate-reasons and consequences of simultaneous ammonia release from two different polymorphs}, url = {https://m2.mtmt.hu/api/publication/32163599}, author = {Nagyné Bereczki, Laura and Alexandre Fogaca, Lara and Dürvanger, Zsolt and Harmat, Veronika and Kamarás, Katalin and Németh, Gergely and Hollo, BB and Petrusevski, VM and Bódis, Eszter and Farkas, Attila and Szilágyi, Imre Miklós and Kótai, László}, doi = {10.1080/00958972.2021.1953489}, journal-iso = {J COORD CHEM}, journal = {JOURNAL OF COORDINATION CHEMISTRY}, volume = {74}, unique-id = {32163599}, issn = {0095-8972}, year = {2021}, eissn = {1029-0389}, pages = {2144-2162}, orcid-numbers = {Dürvanger, Zsolt/0000-0002-2652-4916; Harmat, Veronika/0000-0002-1866-9904; Kamarás, Katalin/0000-0002-0390-3331; Farkas, Attila/0000-0002-8877-2587} }