Theoretical investigation of hydrogen transfer mechanism in guanine-cytosine base pair (Articolo in rivista)

Type

• Articolo in rivista (Classe)
• Prodotto della ricerca (Classe)

Label

• Theoretical investigation of hydrogen transfer mechanism in guanine-cytosine base pair (Articolo in rivista) (literal)

Anno

• 2006-01-01T00:00:00+01:00 (literal)

Alternative label

• Giovanni Villani (2006)
  Theoretical investigation of hydrogen transfer mechanism in guanine-cytosine base pair
  in Chemical physics (Print)
  (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori

• Giovanni Villani (literal)

Pagina inizio

• 438 (literal)

Pagina fine

• 446 (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume

• 324 (literal)

Rivista

• Chemical physics (Rivista)

Note

• Scopu (literal)
• ISI Web of Science (WOS) (literal)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni

• ICCOM - UOS di pisa (literal)

Titolo

• Theoretical investigation of hydrogen transfer mechanism in guanine-cytosine base pair (literal)

Abstract

• We have studied the quantum-dynamics of the hydrogen bonds in the guanine-cytosine base pair. Due to the position of hydrogen atoms, different tautomers are possible: the stable Watson-Crick G-C, the imino-enol G*-C*, the imino-enol-imino-enol G(#)-C-# and some zwitterionic structures. The common idea in the literature is that only the G-C and the G*-C* tautomers are stable with an estimate of G-C G*-C* transition probability of 10(-6)-10(-9) by the help of Boltzmann statistics. Here we show a detailed quantum theoretical study that suggests the following conclusion: G-C is the stablest tautomer, some partially charged systems (due to the movement of only one hydrogen atom) are important and a large amount of the imino-enol G*-C* (and less of the imino-enol-imino-enol G(#)-C-# structure) tautomer is present at any time. The corresponding transition probabilities from different tautomers are not due to thermal passage, but they are a pure quantum phenomenon. These large probabilities definitively disprove the idea of these tautomers as mutation points. The mechanisms of passage from the G-C tautomer to the others have also been investigated. (literal)

Prodotto di

• Institute of chemistry of organometallic compounds (ICCOM) (Istituto)

Autore CNR

• GIOVANNI VILLANI (Unità di personale interno)

Incoming links:

Prodotto

• Institute of chemistry of organometallic compounds (ICCOM) (Istituto)

Autore CNR di

• GIOVANNI VILLANI (Unità di personale interno)

Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi

• Chemical physics (Rivista)