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001-es BibID:	BIBFORM032126
Első szerző:	Sanna, Daniele (vegyész)
Cím:	VO2+ Complexation by Bioligands Showing Keto-Enol Tautomerism : A Potentiometric, Spectroscopic, and Computational Study / Daniele Sanna, Katalin Varnágy, Sarolta Timári, Giovanni Micera, Eugenio Garribba
Dátum:	2011
ISSN:	0020-1669
Megjegyzések:	The interaction of VO2+ ion with ligands ofbiological interest that are present in important metabolicpathways?2-oxopropanoic acid (pyruvic acid, pyrH), 3-hydroxy-2-oxopropanoic acid (3-hydroxypyruvic acid, hydpyrH),oxobutanedioic acid (oxalacetic acid, oxalH2), (S)-hydroxybutanedioicacid (L-malic acid, malH2), and 2,3-dihydroxy-(E)-butanedioic acid (dihydroxyfumaric acid, dhfH2)?was described.Their complexing capability was compared with thatof similar ligands: 3-hydroxy-2-butanone (hydbut) and 3,4-dihydroxy-3-cyclobutene-1,2-dione (squaric acid, squarH2). Allof these ligands (except L-malic acid) exhibit keto-enol tautomerism,and the presence of a metal ion can influence such anequilibrium. The different systems were studied with electron paramagnetic resonance (EPR) and UV-vis spectroscopies and withpH potentiometry. Density functional theory (DFT) methods provide valuable information on the relative energy of the enol andketo forms of the ligands both in the gas phase and in aqueous solution, on the geometry of the complexes, and on EPR andelectronic absorption parameters. The results show that most of the ligands behave like [alpha]-hydroxycarboxylates, forming mono- andbis-chelated species with (COO-, O-) coordination, demonstrating that the metal ion is able to stabilize the enolate form of someligands. With dihydroxyfumaric acid, the formation of a non-oxidovanadium(IV) complex, because of rearrangement ofdihydroxyfumaric to dihydroxymaleic acid (dhmH2), can be observed. With 3-hydroxy-2-butanone and 3,4-dihydroxy-3-cyclobutene-1,2-dione, complexation of VO2+ does not take place and the reason for this behavior is explained by chemicalconsiderations and computational calculations.[This work was supported by the Hungarian Scientific Research Fund (K 72956) and Gedeon Richter Plc.]
Tárgyszavak:	Természettudományok Kémiai tudományok idegen nyelvű folyóiratközlemény külföldi lapban
Megjelenés:	Inorganic Chemistry. - 50 : 20 (2011), p. 10328-10341. -
További szerzők:	Várnagy Katalin (1961-) (vegyész) Timári Sarolta (1984-) (vegyész, kémia tanár) Micera, Giovanni Garribba, Eugenio
Internet cím:	Szerző által megadott URL DOI Intézményi repozitóriumban (DEA) tárolt változat
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