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Charge trapping in DNA due to intrinsic vibrational hot spots

J. Chem. Phys. 118, 3731 (2003); doi:10.1063/1.1539091

Issue Date: 22 February 2003

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G. Kalosakas, K. Ø. Rasmussen, and A. R. Bishop
Theoretical Division and Center for Nonlinear Studies, Los Alamos National Laboratory, Los Alamos, New Mexico 87545
We study temperature effects on the characteristic time for which charge carriers remain spatially confined while interacting with fluctuational openings (bubbles) of double stranded DNA. Using semiclassical molecular-dynamics simulations, we find that in the low-temperature regime this characteristic time decreases in a power-law fashion with temperature and coincides with the polaronic lifetime. However, above 50–70 K the confinement time exhibits an exponential increase with temperature. We demonstrate that this enhanced trapping is a result of intrinsic dynamical structural disorder resulting from thermal fluctuations. Specifically, nonlinearity-induced hot spots in the lattice subsystem form breathing potential barriers confining the charge for substantially longer times. ©2003 American Institute of Physics.
History: Received 23 September 2002; accepted 26 November 2002
Permalink: http://link.aip.org/link/?JCPSA6/118/3731/1
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KEYWORDS and PACS

Keywords
PACS
  • 87.14.Gg
    DNA, RNA
  • 87.15.-v
    Biomolecules: structure and physical properties
  • YEAR: 2003

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ISSN:
0021-9606 (print)   1089-7690 (online)
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