Hole mobility in DNA: Effects of static and dynamic structural fluctuations

Ferdinand C. Grozema, Laurens D.A. Siebbeles, Yuri A. Berlin, Mark A. Ratner

Research output: Contribution to journalArticle

109 Citations (Scopus)

Abstract

Charge migration in DNA has been a subject of considerable debate over the last decade. The interior of DNA consist of a stack of aromatic hydrogen-bonded base pairs that resembles a one-dimensional π-conducting structure found in discotic materials (see graphic), but the structure of DNA is highly disordered and fluctuations occur on timescales of pico- to nanoseconds. Here, a theoretical study of the effect of static and dynamic structural fluctuations on the mobility of positive charges along a model B-form poly(G) - poly(C) double helix is presented.

Original languageEnglish
Pages (from-to)536-539
Number of pages4
JournalChemPhysChem
Volume3
Issue number6
DOIs
Publication statusPublished - Jun 17 2002

Keywords

  • Ab initio calculations
  • Charge carrier mobility
  • Charge transfer
  • DNA damage

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • Physical and Theoretical Chemistry

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