Strain-dependence of the electronic properties in periodic quadruple helical G4-wires (Articolo in rivista)

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  • Strain-dependence of the electronic properties in periodic quadruple helical G4-wires (Articolo in rivista) (literal)
Anno
  • 2005-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/jp054274q (literal)
Alternative label
  • R. Di Felice, A. Calzolari, A. Garbesi, S.S. Alexandre, J.M. Soler (2005)
    Strain-dependence of the electronic properties in periodic quadruple helical G4-wires
    in The journal of physical chemistry. B; ACS, American chemical society, Washington, DC (Stati Uniti d'America)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • R. Di Felice, A. Calzolari, A. Garbesi, S.S. Alexandre, J.M. Soler (literal)
Pagina inizio
  • 22301 (literal)
Pagina fine
  • 22307 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 109 (literal)
Rivista
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  • 7 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroFascicolo
  • 47 (literal)
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Univ Modena, INFM CNR, Natl Ctr NanoStruct & BioSyst Surfaces S3, Dipartimento Fis, I-41100 Modena, Italy CNR, ISOF, Area Ric, I-40129 Bologna, Italy Univ Autonoma Madrid, Dept Fis Materia Condensada, E-28049 Madrid, Spain (literal)
Titolo
  • Strain-dependence of the electronic properties in periodic quadruple helical G4-wires (literal)
Abstract
  • The electronic structure of periodic quadruple helix guanine wires, which mimic G4-DNA molecules, was studied as a function of the stacking distance between consecutive planes, by means of first principles density functional theory calculations. We show that, whereas for the native DNA interplane separation of 3.4 angstrom the HOMO- and LUMO-derived bands are poorly dispersive, the bandwidths can be significantly increased when compressive strain is applied alone, the helical axis. Our findings indicate that efficient band conduction for both holes and electrons can be supported by such wires for stacking distances below 2.6 angstrom, which imply a huge axial deformation with respect to double and quadruple helices in solutions and in crystals. (literal)
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