Dynamical Treatment of Charge Transfer through Duplex Nucleic Acids Containing Modified Adenines (Articolo in rivista)

Type
Label
  • Dynamical Treatment of Charge Transfer through Duplex Nucleic Acids Containing Modified Adenines (Articolo in rivista) (literal)
Anno
  • 2013-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1021/nn404165y (literal)
Alternative label
  • Brancolini G. [ 1 ] ; Migliore A. [ 2,3 ] ; Corni S. [ 1 ] ; Fuentes-Cabrera M. [ 4,5 ] ; Luque F. J. [ 6,7 ] ; Di Felice R. [ 1,8 ] (2013)
    Dynamical Treatment of Charge Transfer through Duplex Nucleic Acids Containing Modified Adenines
    in ACS nano; AMER CHEMICAL SOC, WASHINGTON (Stati Uniti d'America)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Brancolini G. [ 1 ] ; Migliore A. [ 2,3 ] ; Corni S. [ 1 ] ; Fuentes-Cabrera M. [ 4,5 ] ; Luque F. J. [ 6,7 ] ; Di Felice R. [ 1,8 ] (literal)
Pagina inizio
  • 9396 (literal)
Pagina fine
  • 9406 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 7 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • [ 1 ] CNR Inst Nanosci, Ctr S3, I-41125 Modena, Italy [ 2 ] Tel Aviv Univ, Sch Chem, IL-69978 Tel Aviv, Israel [ 3 ] Duke Univ, Dept Chem, Durham, NC 27708 USA [ 4 ] Oak Ridge Natl Lab, Ctr Nanophase Mat Sci, Oak Ridge, TN 37831 USA [ 5 ] Oak Ridge Natl Lab, Comp Sci & Math Div, Oak Ridge, TN 37831 USA [ 6 ] Univ Barcelona, Fac Farm, Dept Fisicoquim, E-08028 Barcelona, Spain [ 7 ] Univ Barcelona, Fac Farm, Inst Biomed IBUB, E-08028 Barcelona, Spain [ 8 ] Univ So Calif, Dept Phys & Astron, Los Angeles, CA 90089 USA (literal)
Titolo
  • Dynamical Treatment of Charge Transfer through Duplex Nucleic Acids Containing Modified Adenines (literal)
Abstract
  • We address the issue of whether chemical alterations of nucleobases are an effective tool to modulate charge transfer through DNA molecules. Our investigation uses a multilevel computational approach based on classical molecular dynamics and quantum chemistry. We find yet another piece of evidence that structural fluctuations are a key factor to determine the electronic structure of double-stranded DNA. We argue that the electronic structure and charge transfer ability of flexible polymers is the result of a complex intertwining of various structural, dynamical and chemical factors. Chemical intuition may be used to design molecular wires, but this is not the sole component in the complex charge transfer mechanism through DNA. (literal)
Editore
Prodotto di
Autore CNR

Incoming links:


Autore CNR di
Prodotto
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#rivistaDi
Editore di
data.CNR.it