VO2+ Complexation by Bioligands showing Keto-Enol Tautomerism: Potentiometric, Spectroscopic and Computational Study. (Articolo in rivista)

Type
Label
  • VO2+ Complexation by Bioligands showing Keto-Enol Tautomerism: Potentiometric, Spectroscopic and Computational Study. (Articolo in rivista) (literal)
Anno
  • 2011-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/ic201392d (literal)
Alternative label
  • D. Sanna, K. Várnagy, S. Timári, G. Micera, E. Garribba (2011)
    VO2+ Complexation by Bioligands showing Keto-Enol Tautomerism: Potentiometric, Spectroscopic and Computational Study.
    in Inorganic chemistry
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • D. Sanna, K. Várnagy, S. Timári, G. Micera, E. Garribba (literal)
Pagina inizio
  • 10328 (literal)
Pagina fine
  • 10341 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#url
  • http://pubs.acs.org/doi/abs/10.1021/ic201392d (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 50 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Istituto CNR di Chimica Biomolecolare, Trav. La Crucca 3, I-07040 Sassari, Italy Department of Inorganic and Analytical Chemistry, University of Debrecen, H-4010 Debrecen, Hungary Dipartimento di Chimica e Centro Interdisciplinare per lo Sviluppo della Ricerca Biotecnologica e per lo Studio della Biodiversità della Sardegna, Università di Sassari, Via Vienna 2, I-07100 Sassari, Italy (literal)
Titolo
  • VO2+ Complexation by Bioligands showing Keto-Enol Tautomerism: Potentiometric, Spectroscopic and Computational Study. (literal)
Abstract
  • The interaction of VO2+ ion with ligands of biological interest that are present in important metabolic pathways--2-oxopropanoic acid (pyruvic acid, pyrH), 3-hydroxy-2-oxopropanoic acid (3-hydroxypyruvic acid, hydpyrH), oxobutanedioic acid (oxalacetic acid, oxalH2), (S)-hydroxybutanedioic acid (l-malic acid, malH2), and 2,3-dihydroxy-(E)-butanedioic acid (dihydroxyfumaric acid, dhfH2)--was described. Their complexing capability was compared with that of similar ligands: 3-hydroxy-2-butanone (hydbut) and 3,4-dihydroxy-3-cyclobutene-1,2-dione (squaric acid, squarH2). All of these ligands (except l-malic acid) exhibit keto-enol tautomerism, and the presence of a metal ion can influence such an equilibrium. The different systems were studied with electron paramagnetic resonance (EPR) and UV-vis spectroscopies and with pH potentiometry. Density functional theory (DFT) methods provide valuable information on the relative energy of the enol and keto forms of the ligands both in the gas phase and in aqueous solution, on the geometry of the complexes, and on EPR and electronic absorption parameters. The results show that most of the ligands behave like ?-hydroxycarboxylates, forming mono- and bis-chelated species with (COO-, O-) coordination, demonstrating that the metal ion is able to stabilize the enolate form of some ligands. With dihydroxyfumaric acid, the formation of a non-oxidovanadium(IV) complex, because of rearrangement of dihydroxyfumaric 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 chemical considerations and computational calculations. (literal)
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