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001-es BibID:	BIBFORM110272
035-os BibID:	(cikkazonosító)1477 (WoS)000930056200001 (Scopus)85147892443
Első szerző:	Bíró Linda (vegyész)
Cím:	Interaction between [(eta(6)-p-cym)M(H2O)(3)](2+) (M-II = Ru, Os) or [(eta(5)-Cp*)M(H2O)(3)](2+) (M-III = Rh, Ir) and Phosphonate Derivatives of Iminodiacetic Acid: A Solution Equilibrium and DFT Study / Linda Bíró, Botond Tóth, Norbert Lihi, Etelka Farkas, Péter Buglyó
Dátum:	2023
ISSN:	1420-3049
Megjegyzések:	The pH-dependent binding strengths and modes of the organometallic [(eta(6)-p-cym)M(H2O)(3)](2+) (M-II = Ru, Os; p-cym = 1-methyl-4-isopropylbenzene) or [(eta(5)-Cp)M(H2O)(3)](2+) (M-III = Rh, Ir; Cp = pentamethylcyclopentadienyl anion) cations towards iminodiacetic acid (H(2)Ida) and its biorelevant mono- and diphosphonate derivatives N-(phosphonomethyl)-glycine (H(3)IdaP) and iminodi(methylphosphonic acid) (H(4)Ida2P) was studied in an aqueous solution. The results showed that all three of the ligands form 1:1 complexes via the tridentate (O,N,O) donor set, for which the binding mode was further corroborated by the DFT method. Although with IdaP(3-) and Ida2P(4-) in mono- and bis-protonated species, where H+ might also be located at the non-coordinating N atom, the theoretical calculations revealed the protonation of the phosphonate group(s) and the tridentate coordination of the phosphonate ligands. The replacement of one carboxylate in Ida(2-) by a phosphonate group (IdaP(3-)) resulted in a significant increase in the stability of the metal complexes; however, this increase vanished with Ida2P(4-), which was most likely due to some steric hindrance upon the coordination of the second large phosphonate group to form (5 + 5) joined chelates. In the phosphonate-containing systems, the neutral 1:1 complexes are the major species at pH 7.4 in the millimolar concentration range that is supported by both NMR and ESI-TOF-MS.
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban folyóiratcikk IDA-based phosphonates organoruthenium organorhodium solution equilibrium complex
Megjelenés:	Molecules. - 28 : 3 (2023), p. 1-17-. -
További szerzők:	Tóth Botond Lihi Norbert (1990-) (vegyész) Farkas Etelka (1948-) (vegyész) Buglyó Péter (1965-) (vegyész)
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001-es BibID:	BIBFORM098762
035-os BibID:	(cikkazonosító)3632 (WoS)000667382100001 (Scopus)85110387344
Első szerző:	Najóczki Ferenc
Cím:	Synthesis and Characterization of 1,10-Phenanthroline-mono-N-oxides / Najóczki Ferenc, Szabó Mária, Lihi Norbert, Udvardy Antal, Fábián István
Dátum:	2021
ISSN:	1420-3049
Megjegyzések:	N-oxides of N-heteroaromatic compounds find widespread applications in various fields of chemistry. Although the strictly planar aromatic structure of 1,10-phenanthroline (phen) is expected to induce unique features of the corresponding N-oxides, so far the potential of these compounds has not been explored. In fact, appropriate procedure has not been reported for synthesizing these derivatives of phen. Now, we provide a straightforward method for the synthesis of a series of mono-N-oxides of 1,10-phenanthrolines. The parent compounds were oxidized by a green oxidant, peroxomonosulfate ion in acidic aqueous solution. The products were obtained in high quality and at good to excellent yields. A systematic study reveals a clear-cut correlation between the basicity of the compounds and the electronic effects of the substituents on the aromatic ring. The UV spectra of these compounds were predicted by DFT calculations at the TD-DFT/TPSSh/def2-TZVP level of theory.
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban folyóiratcikk density functional calculation N-oxide; oxidation peroxomonosulfate ion X-ray diffraction
Megjelenés:	Molecules. - 26 : 12 (2021), p. 1-19. -
További szerzők:	Szabó Mária (1991-) (vegyész) Lihi Norbert (1990-) (vegyész) Udvardy Antal (1981-) (vegyész) Fábián István (1956-) (vegyész)
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001-es BibID:	BIBFORM119588
035-os BibID:	(cikkazonosító)795 (Scopus)85186265754 (WoS)001172372500001
Első szerző:	Székely Enikő (vegyész)
Cím:	Characterization of Copper(II) and Zinc(II) Complexes of Peptides Mimicking the CuZnSOD Enzyme / Enikő Székely, Mariann Molnár, Norbert Lihi, Katalin Várnagy
Dátum:	2024
ISSN:	1420-3049
Megjegyzések:	Antimicrobial peptides are short cationic peptides that are present on biological surfaces susceptible to infection, and they play an important role in innate immunity. These peptides, like other compounds with antimicrobial activity, often have significant superoxide dismutase (SOD) activity. One direction of our research is the characterization of peptides modeling the CuZnSOD enzyme and the determination of their biological activity, and these results may contribute to the development of novel antimicrobial peptides. In the framework of this research, we have synthesized 10, 15, and 16-membered model peptides containing the amino acid sequence corresponding to the Cu(II) and Zn(II) binding sites of the CuZnSOD enzyme, namely the Zn(II)-binding HVGD sequence (80?83. fragments), the Cu(II)-binding sequence HVH (fragments 46?48), and the histidine (His63), which links the two metal ions as an imidazolate bridge: Ac-FHVHEGPHFN-NH2 (L1(10)), Ac-FHVHAGPHFNGGHVG-NH2 (L2(15)), and Ac-FHVHEGPHFNGGHVGD-NH2 (L3(16)). pH-potentiometric, UV-Vis-, and CD-spectroscopy studies of the Cu(II), Zn(II), and Cu(II)-Zn(II) mixed complexes of these peptides were performed, and the SOD activity of the complexes was determined. The binding sites preferred by Cu(II) and Zn(II) were identified by means of CD-spectroscopy. From the results obtained for these systems, it can be concluded that in equimolar solution, the ?(NGG)HVGD- sequence of the peptides is the preferred binding site for copper(II) ion. However, in the presence of both metal ions, according to the native enzyme, the -HVGD- sequence offers the main binding site for Zn(II), while the majority of Cu(II) binds to the -FHVH- sequence. Based on the SOD activity assays, complexes of the 15- and 16-membered peptide have a significant SOD activity. Although this activity is smaller than that of the native CuZnSOD enzyme, the complexes showed better performance in the degradation of superoxide anion than other SOD mimics. Thus, the incorporation of specific amino acid sequences mimicking the CuZnSOD enzyme increases the efficiency of model systems in the catalytic decomposition of superoxide anion.
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban folyóiratcikk multihistidine peptide Cu(II)-complex Zn(II)-complex SOD activity CuZnSOD
Megjelenés:	Molecules. - 29 : 4 (2024), p. 1-27. -
További szerzők:	Molnár Marianna Lihi Norbert (1990-) (vegyész) Várnagy Katalin (1961-) (vegyész)
Pályázati támogatás:	ÚNKP-22-5 Egyéb
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