Theoretical investigation of the coupling between hydrogen-atom transfer and stacking interaction in adenine-thymine dimers (Articolo in rivista)

Type

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

Label

• Theoretical investigation of the coupling between hydrogen-atom transfer and stacking interaction in adenine-thymine dimers (Articolo in rivista) (literal)

Anno

• 2013-01-01T00:00:00+01:00 (literal)

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

• 10.1002/cphc.201200971 (literal)

Alternative label

• Villani, Giovanni (2013)
  Theoretical investigation of the coupling between hydrogen-atom transfer and stacking interaction in adenine-thymine dimers
  in ChemPhysChem (Print)
  (literal)

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

• Villani, Giovanni (literal)

Pagina inizio

• 1256 (literal)

Pagina fine

• 1263 (literal)

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

• http://www.scopus.com/record/display.url?eid=2-s2.0-84876061092&origin=inward (literal)

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

• 14 (literal)

Rivista

• ChemPhysChem (Rivista)

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

• 6 (literal)

Note

• Scopu (literal)

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

• Istituto di Chimica dei Composti OrganoMetallici, UOS Pisa (literal)

Titolo

• Theoretical investigation of the coupling between hydrogen-atom transfer and stacking interaction in adenine-thymine dimers (literal)

Abstract

• Three different dimers of the adenine-thymine (A-T) base pair are studied to point out the changes of important properties (structure, atomic charge, energy and so on) induced by coupling between the movement of the atoms in the hydrogen bonds and the stacking interaction. The comparison of these results with those for the A-T monomer system explains the role of the stacking interaction in the hydrogen-atom transfer in this biologically important base pair. The results support the idea that this coupling depends on the exact dimer considered and is different for the N-N and N-O hydrogen bonds. In particular, the correlation between the hydrogen transfer and the stacking interaction is more relevant for the N-N bridge than for the N-O one. Also, the two different mechanisms of two-hydrogen transfer (step by step and concerted) can be modified by the stacking interaction between the base pairs. Back to base: Three different dimers of the adenine-thymine base pair are studied to reveal the changes of structure, atomic charge, and energy induced by coupling between the movement of atoms in the hydrogen bonds and the stacking interaction (see picture). The coupling depends on the dimer considered and is different for the N-N and N-O hydrogen bonds. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. (literal)

Prodotto di

• Istituto di chimica dei composti organo metallici (ICCOM) (Istituto)

Autore CNR

• GIOVANNI VILLANI (Persona)

Insieme di parole chiave

• Keywords of "Theoretical investigation of the coupling between hydrogen-atom transfer and stacking interaction in adenine-thymine dimers" (Insieme di parole chiave)

Incoming links:

Prodotto

• Istituto di chimica dei composti organo metallici (ICCOM) (Istituto)

Autore CNR di

• GIOVANNI VILLANI (Persona)

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

• ChemPhysChem (Rivista)

Insieme di parole chiave di

• Keywords of "Theoretical investigation of the coupling between hydrogen-atom transfer and stacking interaction in adenine-thymine dimers" (Insieme di parole chiave)