Abstract
The model proposed for hole transfer in DNA molecules with different configurations allows for the changes in the reorganization energy during charge transfer in a nucleotide strand with variations in the degree of orbital overlap in neighboring nucleotide pairs in different molecular sequences. The rate of hole transfer occurring in a DNA molecule through the superexchange and hopping transfer mechanisms is limited by the vibrational relaxation of the geometry of the nucleotide bases, as well as by the dynamics of solvent molecules. The rate of charge transfer in the DNA molecule depends on the height of the potential barrier between the donor fragment and the molecular bridge and on the positional arrangement of nucleobase pairs and their number in the molecular bridge. Inclusion of the interstrand charge transfer, which is characterized by a small degree of orbital overlap in the nucleobases of the opposite strands, does not affect the total charge transfer in the DNA molecule. An increase of the number of parallel components (processes) in the hopping mechanism entails an increase in the rate of charge transfer in the double helix.
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Original Russian Text © N.V. Grib, J.A. Berashevich, V.E. Borisenko, 2007, published in Biofizika, 2007, Vol. 52, No. 6, pp. 1008–1016.
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Grib, N.V., Berashevich, A. & Borisenko, V.E. The role of structural reorganization in charge carrier transfer in a DNA molecule. BIOPHYSICS 52, 537–544 (2007). https://doi.org/10.1134/S0006350907060048
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DOI: https://doi.org/10.1134/S0006350907060048