@article{MTMT:34762097, title = {Effect of Non‐Thermal Sulfur Hexafluoride Cold Plasma Modification on Surface Properties of Polyoxymethylene}, url = {https://m2.mtmt.hu/api/publication/34762097}, author = {Chodkowski, Michał and Terpiłowski, Konrad and Románszki, Loránd and Klébert, Szilvia and Mohai, Miklós and Károly, Zoltán}, doi = {10.1002/cphc.202300709}, journal-iso = {CHEMPHYSCHEM}, journal = {CHEMPHYSCHEM: A EUROPEAN JOURNAL OF CHEMICAL PHYSICS AND PHYSICAL CHEMISTRY}, unique-id = {34762097}, issn = {1439-4235}, abstract = {X‐ray photoelectron spectroscopy was employed to reveal the differences in the chemical structure of the topmost layer after plasma modification. It was found out that changes in the surface properties of the polymer could be observed even after 20 seconds of treatment. The surface becomes hydrophobic or superhydrophobic, with the water contact angles up to 160 degrees. Morphological changes and increased roughness can be observed only in the nanoscale, whereas the structure seems to be unaffected in the microscale. As a result of plasma modification a permanent hydrophobic effect was obtained on the polyoxymethylene surface.}, year = {2024}, eissn = {1439-7641}, orcid-numbers = {Terpiłowski, Konrad/0000-0002-8078-3644; Klébert, Szilvia/0000-0002-3107-3371} } @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} } @article{MTMT:34718662, title = {Hexakis(urea-O)iron Complex Salts as a Versatile Material Family: Overview of Their Properties and Applications}, url = {https://m2.mtmt.hu/api/publication/34718662}, author = {Béres, Kende Attila and Homonnay, Zoltán and Kótai, László}, doi = {10.1021/acsomega.3c09635}, journal-iso = {ACS OMEGA}, journal = {ACS OMEGA}, volume = {9}, unique-id = {34718662}, issn = {2470-1343}, year = {2024}, eissn = {2470-1343}, pages = {11148-11167}, orcid-numbers = {Béres, Kende Attila/0000-0003-4257-0581; Homonnay, Zoltán/0000-0001-5299-5394} } @article{MTMT:34679063, title = {Utility function-based generalization of sum of ranking differences–country-wise analysis of greenhouse gas emissions}, url = {https://m2.mtmt.hu/api/publication/34679063}, author = {Ipkovich, Ádám and Héberger, Károly and Sebestyén, Viktor and Abonyi, János}, doi = {10.1016/j.ecolind.2024.111734}, journal-iso = {ECOL INDIC}, journal = {ECOLOGICAL INDICATORS}, volume = {160}, unique-id = {34679063}, issn = {1470-160X}, year = {2024}, eissn = {1872-7034}, orcid-numbers = {Ipkovich, Ádám/0000-0003-0617-1831; Sebestyén, Viktor/0000-0003-0670-9195; Abonyi, János/0000-0001-8593-1493} } @article{MTMT:34643365, title = {Reaction of Partially Methylated Polygalacturonic Acid with Iron(III) Chloride and Characterization of a New Mixed Chloride–Polygalacturonate Complex}, url = {https://m2.mtmt.hu/api/publication/34643365}, author = {Kótai, László and Lázár, Károly and Kiss, László Ferenc and Szentmihályi, Klára}, doi = {10.3390/molecules29040890}, journal-iso = {MOLECULES}, journal = {MOLECULES}, volume = {29}, unique-id = {34643365}, issn = {1420-3049}, year = {2024}, eissn = {1420-3049} } @article{MTMT:34616122, title = {Gradual Changes in the Aromaticity in a Series of Hydroxypyridine-Carboxylic Acid Derivatives and Their Effect on Tautomerism and Crystal Packing}, url = {https://m2.mtmt.hu/api/publication/34616122}, author = {May, Nóra Veronika and Gál, Gyula Tamás and Holczbauer, Tamás and Nagyné Bereczki, Laura and Di Marco, Valerio B. and Bombicz, Petra}, doi = {10.1021/acs.cgd.3c01118}, journal-iso = {CRYST GROWTH DES}, journal = {CRYSTAL GROWTH & DESIGN}, volume = {24}, unique-id = {34616122}, issn = {1528-7483}, abstract = {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.}, year = {2024}, eissn = {1528-7505}, pages = {1096-1109}, orcid-numbers = {May, Nóra Veronika/0000-0003-4770-4681; Bombicz, Petra/0000-0002-5509-1515} } @article{MTMT:34561545, title = {The influence of precursor selection on electrochemical properties of radiofrequency thermal plasma synthesized graphene}, url = {https://m2.mtmt.hu/api/publication/34561545}, author = {Fronczak, Maciej and Károly, Zoltán and Banković, Predrag and Mojović, Zorica}, doi = {10.1016/j.microc.2024.110079}, journal-iso = {MICROCHEM J}, journal = {MICROCHEMICAL JOURNAL}, volume = {199}, unique-id = {34561545}, issn = {0026-265X}, year = {2024}, eissn = {1095-9149}, orcid-numbers = {Fronczak, Maciej/0000-0002-8238-0232; Mojović, Zorica/0000-0003-4804-0776} } @article{MTMT:34517630, title = {Frequent Errors in Modeling by Machine Learning: A Prototype Case of Predicting the Timely Evolution of COVID-19 Pandemic}, url = {https://m2.mtmt.hu/api/publication/34517630}, author = {Héberger, Károly}, doi = {10.3390/a17010043}, journal-iso = {ALGORITHMS}, journal = {ALGORITHMS}, volume = {17}, unique-id = {34517630}, abstract = {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.}, year = {2024}, eissn = {1999-4893} } @article{MTMT:34448239, title = {Qualitative and quantitative chemometric modelling of nanostructured carbon samples based on infrared spectroscopy}, url = {https://m2.mtmt.hu/api/publication/34448239}, author = {Rácz, Anita and Nagyné László, Krisztina and Klébert, Szilvia}, doi = {10.1016/j.carbon.2023.118743}, journal-iso = {CARBON}, journal = {CARBON}, volume = {218}, unique-id = {34448239}, issn = {0008-6223}, year = {2024}, eissn = {1873-3891}, orcid-numbers = {Nagyné László, Krisztina/0000-0003-4499-3983; Klébert, Szilvia/0000-0002-3107-3371} } @article{MTMT:34435877, title = {Chloroplast phosphate transporter CrPHT4-7 regulates phosphate homeostasis and photosynthesis in Chlamydomonas}, url = {https://m2.mtmt.hu/api/publication/34435877}, author = {Tóth, Dávid and Kuntam, Soujanya and Ferenczi, Áron and Vidal-Meireles, Andre and Kovács, László and Wang, Lianyong and Sarkadi, Zsuzsa and Migh, Ede and Szentmihályi, Klára and Tengölics, Roland and Neupert, Juliane and Bock, Ralph and Jonikas, Martin C and Molnar, Attila and Tóth, Szilvia Zita}, doi = {10.1093/plphys/kiad607}, journal-iso = {PLANT PHYSIOL}, journal = {PLANT PHYSIOLOGY}, volume = {194}, unique-id = {34435877}, issn = {0032-0889}, abstract = {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.}, year = {2024}, eissn = {1532-2548}, pages = {1646-1661}, orcid-numbers = {Ferenczi, Áron/0000-0002-2100-1702; Wang, Lianyong/0000-0003-0906-8346; Szentmihályi, Klára/0000-0002-3618-8151; Neupert, Juliane/0000-0002-4082-9484; Bock, Ralph/0000-0001-7502-6940; Jonikas, Martin C/0000-0002-9519-6055; Molnar, Attila/0000-0002-1044-6327} }