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 - TY - JOUR AU - Béres, Kende Attila AU - Homonnay, Zoltán AU - Kótai, László TI - Hexakis(urea-O)iron Complex Salts as a Versatile Material Family: Overview of Their Properties and Applications JF - ACS OMEGA J2 - ACS OMEGA VL - 9 PY - 2024 IS - 10 SP - 11148 EP - 11167 PG - 20 SN - 2470-1343 DO - 10.1021/acsomega.3c09635 UR - https://m2.mtmt.hu/api/publication/34718662 ID - 34718662 N1 - Institute of Materials and Environmental Chemistry, HUN-REN Research Centre for Natural Sciences, Magyar Tudósok krt. 2., Budapest, H-1117, Hungary Institute of Chemistry, ELTE Eötvös Loránd University, Pázmány Péter s. 1/A, Budapest, H-1117, Hungary Export Date: 19 March 2024 Correspondence Address: Béres, K.A.; Institute of Materials and Environmental Chemistry, Magyar Tudósok krt. 2., Hungary; email: beres.kende.attila@ttk.hu Correspondence Address: Kótai, L.; Institute of Materials and Environmental Chemistry, Magyar Tudósok krt. 2., Hungary; email: kotai.laszlo@ttk.hu LA - English DB - MTMT ER - TY - JOUR AU - Ipkovich, Ádám AU - Héberger, Károly AU - Sebestyén, Viktor AU - Abonyi, János TI - Utility function-based generalization of sum of ranking differences–country-wise analysis of greenhouse gas emissions JF - ECOLOGICAL INDICATORS J2 - ECOL INDIC VL - 160 PY - 2024 PG - 18 SN - 1470-160X DO - 10.1016/j.ecolind.2024.111734 UR - https://m2.mtmt.hu/api/publication/34679063 ID - 34679063 LA - English DB - MTMT ER - TY - JOUR AU - Kótai, László AU - Lázár, Károly AU - Kiss, László Ferenc AU - Szentmihályi, Klára TI - Reaction of Partially Methylated Polygalacturonic Acid with Iron(III) Chloride and Characterization of a New Mixed Chloride–Polygalacturonate Complex JF - MOLECULES J2 - MOLECULES VL - 29 PY - 2024 IS - 4 PG - 16 SN - 1420-3049 DO - 10.3390/molecules29040890 UR - https://m2.mtmt.hu/api/publication/34643365 ID - 34643365 N1 - Export Date: 07 March 2024 LA - English DB - MTMT ER - TY - JOUR AU - May, Nóra Veronika AU - Gál, Gyula Tamás AU - Holczbauer, Tamás AU - Nagyné Bereczki, Laura AU - Di Marco, Valerio B. AU - Bombicz, Petra TI - Gradual Changes in the Aromaticity in a Series of Hydroxypyridine-Carboxylic Acid Derivatives and Their Effect on Tautomerism and Crystal Packing JF - CRYSTAL GROWTH & DESIGN J2 - CRYST GROWTH DES VL - 24 PY - 2024 IS - 3 SP - 1096 EP - 1109 PG - 14 SN - 1528-7483 DO - 10.1021/acs.cgd.3c01118 UR - https://m2.mtmt.hu/api/publication/34616122 ID - 34616122 AB - The keto-enol tautomerism of hydroxypyridine-carboxylic acid (HPC) derivatives with proton transfer between the hydroxyl or carboxyl oxygen atoms was investigated in the case of three 3-hydroxy-4-pyridine-carboxylic acid (3HPC) and eight 4-hydroxy-3-pyridine-carboxylic acid (4HPC) derivatives containing altered pyridine ring substituents. Due to the vicinal position of hydroxyl and carboxylate groups, the hydroxyl proton is involved in an intramolecular H-bond and can very easily transform into the keto or enol tautomer. The proton position was found to correlate with the aromaticity of the pyridine ring, which was described by the Bird index, calculated on the basis of the measured atomic distances. Due to the planar shape of the molecules, pi & sdot;& sdot;& sdot;pi stacking and/or C-O & sdot;& sdot;& sdot;pi interactions were found in all investigated compounds. The molecular properties along with their main supramolecular interactions were compared. Packing arrangements and the main hydrogen-bonding schemes were further compared by using Hirshfeld surface analysis. In the case of the four N-methyl-substituted 4HPC derivatives, the synthon consisting of hydrogen bonds was preserved in the plane of the molecules despite the presence of the various ring substituents. Pairing the 3HPC and 4HPC derivatives, the corresponding compounds exhibited the same molecular shape but different nitrogen positions in the pyridine ring. This gave us the opportunity to examine how the difference in the electron distribution affects only and exclusively the secondary interactions and the arrangement of the molecules in the crystals. The electrostatic potential was calculated and mapped over the Hirshfeld surface, and the calculations of pairwise interaction energies and total energy frameworks were performed using the B3LYP/6-31G-(d,p) energy model. LA - English DB - MTMT ER - TY - JOUR AU - Fronczak, Maciej AU - Károly, Zoltán AU - Banković, Predrag AU - Mojović, Zorica TI - The influence of precursor selection on electrochemical properties of radiofrequency thermal plasma synthesized graphene JF - MICROCHEMICAL JOURNAL J2 - MICROCHEM J VL - 199 PY - 2024 PG - 10 SN - 0026-265X DO - 10.1016/j.microc.2024.110079 UR - https://m2.mtmt.hu/api/publication/34561545 ID - 34561545 LA - English DB - MTMT ER - TY - JOUR AU - Héberger, Károly TI - Frequent Errors in Modeling by Machine Learning: A Prototype Case of Predicting the Timely Evolution of COVID-19 Pandemic JF - ALGORITHMS J2 - ALGORITHMS VL - 17 PY - 2024 IS - 1 PG - 23 SN - 1999-4893 DO - 10.3390/a17010043 UR - https://m2.mtmt.hu/api/publication/34517630 ID - 34517630 AB - Background: The development and application of machine learning (ML) methods have become so fast that almost nobody can follow their developments in every detail. It is no wonder that numerous errors and inconsistencies in their usage have also spread with a similar speed independently from the tasks: regression and classification. This work summarizes frequent errors committed by certain authors with the aim of helping scientists to avoid them. Methods: The principle of parsimony governs the train of thought. Fair method comparison can be completed with multicriteria decision-making techniques, preferably by the sum of ranking differences (SRD). Its coupling with analysis of variance (ANOVA) decomposes the effects of several factors. Earlier findings are summarized in a review-like manner: the abuse of the correlation coefficient and proper practices for model discrimination are also outlined. Results: Using an illustrative example, the correct practice and the methodology are summarized as guidelines for model discrimination, and for minimizing the prediction errors. The following factors are all prerequisites for successful modeling: proper data preprocessing, statistical tests, suitable performance parameters, appropriate degrees of freedom, fair comparison of models, and outlier detection, just to name a few. A checklist is provided in a tutorial manner on how to present ML modeling properly. The advocated practices are reviewed shortly in the discussion. Conclusions: Many of the errors can easily be filtered out with careful reviewing. Every authors’ responsibility is to adhere to the rules of modeling and validation. A representative sampling of recent literature outlines correct practices and emphasizes that no error-free publication exists. LA - English DB - MTMT ER - TY - JOUR AU - Rácz, Anita AU - Nagyné László, Krisztina AU - Klébert, Szilvia TI - Qualitative and quantitative chemometric modelling of nanostructured carbon samples based on infrared spectroscopy JF - CARBON J2 - CARBON VL - 218 PY - 2024 PG - 7 SN - 0008-6223 DO - 10.1016/j.carbon.2023.118743 UR - https://m2.mtmt.hu/api/publication/34448239 ID - 34448239 N1 - Plasma Chemistry Research Group, HUN-REN Research Centre for Natural Sciences, Magyar Tudósok Krt. 2, Budapest, H-1117, Hungary Department of Physical Chemistry and Materials Science, Faculty of Chemical Technology and Biotechnology, Budapest University of Technology and Economics, Budapest, 1521, Hungary Export Date: 19 January 2024 CODEN: CRBNA Correspondence Address: Rácz, A.; Plasma Chemistry Research Group, Magyar Tudósok Krt. 2, Hungary; email: racz.anita@ttk.hu Correspondence Address: László, K.; Department of Physical Chemistry and Materials Science, Hungary; email: laszlo.krisztina@vbk.bme.hu Funding details: Hungarian Scientific Research Fund, OTKA, K 134260, K 143571, PD 134416 Funding details: Magyar Tudományos Akadémia, MTA Funding details: Nemzeti Kutatási, Fejlesztési és Innovaciós Alap, NKFIA Funding text 1: The work was supported by project no. OTKA K 134260 , K 143571 and PD 134416 of the Ministry of Innovation and Technology of Hungary from the National Research, Development, and Innovation Fund , financed under the K and PD type funding scheme , respectively. The work was supported by the Hungarian Academy of Sciences: János Bolyai Research Scholarship . The work was supported by the ÚNKP-23-5 New National Excellence Program of the Ministry for Culture and Innovation from the source of the National Research, Development and Innovation Fund . LA - English DB - MTMT ER - TY - JOUR AU - Tóth, Dávid AU - Kuntam, Soujanya AU - Ferenczi, Áron AU - Vidal-Meireles, Andre AU - Kovács, László AU - Wang, Lianyong AU - Sarkadi, Zsuzsa AU - Migh, Ede AU - Szentmihályi, Klára AU - Tengölics, Roland AU - Neupert, Juliane AU - Bock, Ralph AU - Jonikas, Martin C AU - Molnar, Attila AU - Tóth, Szilvia Zita TI - Chloroplast phosphate transporter CrPHT4-7 regulates phosphate homeostasis and photosynthesis in Chlamydomonas JF - PLANT PHYSIOLOGY J2 - PLANT PHYSIOL VL - 194 PY - 2024 IS - 3 SP - 1646 EP - 1661 PG - 16 SN - 0032-0889 DO - 10.1093/plphys/kiad607 UR - https://m2.mtmt.hu/api/publication/34435877 ID - 34435877 N1 - Funding Agency and Grant Number: Lendulet/Momentum Programme of the Hungarian Academy of Sciences [LP2014/19]; National Research, Development, and Innovation Office [K132600]; Biotechnology and Biological Sciences Research Council (BBSRC) [BB/R506163/1]; U.S. Department of Energy [DE-SC0020195]; Max Planck Society Funding text: This work was supported by the Lendulet/Momentum Programme of the Hungarian Academy of Sciences (LP2014/19 research grant to S.Z.T.) and the National Research, Development, and Innovation Office (K132600 research grant to S.Z.T.). A.F. was supported by Biotechnology and Biological Sciences Research Council (BBSRC) grant BB/R506163/1. L.W. and M.J. were supported by U.S. Department of Energy grant DE-SC0020195. M.J. is an investigator of the Howard Hughes Medical Institute. J.N. and R.B. were supported by the Max Planck Society. AB - In eukaryotic cells, phosphorus is assimilated and utilized primarily as phosphate (Pi). Pi homeostasis is mediated by transporters that have not yet been adequately characterized in green algae. This study reports on PHOSPHATE TRANSPORTER 4-7 (CrPHT4-7) from Chlamydomonas reinhardtii, a member of the PHT4 transporter family, which exhibits remarkable similarity to AtPHT4;4 from Arabidopsis (Arabidopsis thaliana), a chloroplastic ascorbate transporter. Using fluorescent protein tagging, we show that CrPHT4-7 resides in the chloroplast envelope membrane. Crpht4-7 mutants, generated by the CRISPR/Cas12a-mediated single-strand templated repair, show retarded growth, especially in high light, reduced ATP level, strong ascorbate accumulation, and diminished non-photochemical quenching in high light. On the other hand, total cellular phosphorous content was unaffected, and the phenotype of the Crpht4-7 mutants could not be alleviated by ample Pi supply. CrPHT4-7-overexpressing lines exhibit enhanced biomass accumulation under high light conditions in comparison with the wild-type strain. Expressing CrPHT4-7 in a yeast (Saccharomyces cerevisiae) strain lacking Pi transporters substantially recovered its slow growth phenotype, demonstrating that CrPHT4-7 transports Pi. Even though CrPHT4-7 shows a high degree of similarity to AtPHT4;4, it does not display any substantial ascorbate transport activity in yeast or intact algal cells. Thus, the results demonstrate that CrPHT4-7 functions as a chloroplastic Pi transporter essential for maintaining Pi homeostasis and photosynthesis in C. reinhardtii. LA - English DB - MTMT ER - TY - JOUR AU - Raska, Alexandra AU - Balog Virág, Kata AU - Egri, Barnabás AU - Csikós, Petra AU - Beinrohr, László AU - Szabó, László AU - Tenekedjiev, Kiril AU - Nikolova, Natalia AU - Longstaff, Colin AU - Roberts, Ian AU - Kolev, Kraszimir Nikolaev AU - Wohner, Nikolett TI - Synergism of red blood cells and tranexamic acid in the inhibition of fibrinolysis JF - JOURNAL OF THROMBOSIS AND HAEMOSTASIS J2 - J THROMB HAEMOST VL - 22 PY - 2024 IS - 3 SP - 794 EP - 804 PG - 11 SN - 1538-7933 DO - 10.1016/j.jtha.2023.11.009 UR - https://m2.mtmt.hu/api/publication/34403493 ID - 34403493 LA - English DB - MTMT ER -