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Titolo:
Model systems for flavoenzyme activity. The role of N(3)-H hydrogen bonding in flavin redox processes
Autore:
Cuello, AO; McIntosh, CM; Rotello, VM;
Indirizzi:
Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA Univ Massachusetts Amherst MA USA 01003 Dept Chem, Amherst, MA 01003 USA
Titolo Testata:
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
fascicolo: 14, volume: 122, anno: 2000,
pagine: 3517 - 3521
SICI:
0002-7863(20000412)122:14<3517:MSFFAT>2.0.ZU;2-Q
Fonte:
ISI
Lingua:
ENG
Soggetto:
DESULFOVIBRIO-VULGARIS HILDENBOROUGH; OXIDATION-REDUCTION POTENTIALS; BINDING ABILITY; SPIN-DENSITIES; RADICAL-ANION; FLAVODOXIN; ELECTRON; C-13; H-1; STABILIZATION;
Tipo documento:
Article
Natura:
Periodico
Settore Disciplinare:
Life Sciences
Physical, Chemical & Earth Sciences
Citazioni:
49
Recensione:
Indirizzi per estratti:
Indirizzo: Rotello, VM Univ Massachusetts, Dept Chem, Amherst, MA 01003 USA Univ Massachusetts Amherst MA USA 01003 Amherst, MA 01003 USA
Citazione:
A.O. Cuello et al., "Model systems for flavoenzyme activity. The role of N(3)-H hydrogen bonding in flavin redox processes", J AM CHEM S, 122(14), 2000, pp. 3517-3521

Abstract

Computational and experimental studies were performed to determine the role of N(3)H hydrogen bonding in controlling flavin redox chemistry. B3LYP calculations of a lumiflavin-DMF complex indicate that hydrogen bonding to N(3)H is redox state dependent: hydrogen bonds to this position are formed inthe oxidized state, and released in the flavin radical anion system due toincreased electron density in the reduced species. Electrochemical studiesof flavin and N(3)-methyl flavin in hydrogen bonding and non-hydrogen bonding solvents confirm this prediction, demonstrating that N(3)H hydrogen bonding modulates the potential of flavin reduction to the corresponding radical anion by 80 mV (1.8 kcal/mol). Variable-temperature electrochemical studies were also performed to establish the enthalpic and entropic effects of N(3)H hydrogen bonding on flavin reduction.

ASDD Area Sistemi Dipartimentali e Documentali, Università di Bologna, Catalogo delle riviste ed altri periodici
Documento generato il 29/11/20 alle ore 18:01:32