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

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

doi:10.1002/1439-7641(20020617)3:6<536::AID-CPHC536>3.0.CO;2-6

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

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

Chemistry

Research output: Contribution to journal › Article › peer-review

112 Scopus citations

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 language	English (US)
Pages (from-to)	536-539
Number of pages	4
Journal	ChemPhysChem
Volume	3
Issue number	6
DOIs	https://doi.org/10.1002/1439-7641(20020617)3:6<536::AID-CPHC536>3.0.CO;2-6
State	Published - 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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10.1002/1439-7641(20020617)3:6<536::AID-CPHC536>3.0.CO;2-6

Cite this

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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.",

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AB - 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.

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KW - Charge transfer

KW - DNA damage

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

Abstract

Keywords

ASJC Scopus subject areas

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