Theoretical investigation of hydrogen transfer mechanism in adenine-thymine base pair (Articolo in rivista)

Type
Label
  • Theoretical investigation of hydrogen transfer mechanism in adenine-thymine base pair (Articolo in rivista) (literal)
Anno
  • 2005-01-01T00:00:00+01:00 (literal)
Alternative label
  • Giovanni Villani (2005)
    Theoretical investigation of hydrogen transfer mechanism in adenine-thymine base pair
    in Chemical physics (Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Giovanni Villani (literal)
Pagina inizio
  • 1 (literal)
Pagina fine
  • 8 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 316 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
  • Scopu (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • ICCOM - UOS di Pisa (literal)
Titolo
  • Theoretical investigation of hydrogen transfer mechanism in adenine-thymine base pair (literal)
Abstract
  • We have studied the quantum dynamics of the hydrogen bonds in the adenine-thymine base pair. Due to the position of hydrogen atoms, different tautomers are possible: the stable Watson-Crick A-T, the imino-enol A*-T* and the zwitterionic (the form with charge separation) A+-TÀ and AÀ -T+ structures. The common idea in the literature is that only A-T exists either because the difference of energy among this tautomer and the others is large or because the other structures are transformed quickly in A-T. Here, we show a detailed theoretical study that suggests the following conclusion: A-T is the stablest tautomer, a partially charged system is important and a small amount of the imino-enol A*-T* tautomer is present at any time. The mechanism of passage from A-T tautomer to the others has also been investigated. (literal)
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