Article
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Base-pairs Correlated Oscillation Effects on the Charge Transfer in Double-Helix B-DNA Molecules
Version 1
: Received: 4 November 2020 / Approved: 6 November 2020 / Online: 6 November 2020 (09:05:14 CET)
A peer-reviewed article of this Preprint also exists.
Maciá, E. Base-Pairs’ Correlated Oscillation Effects on the Charge Transfer in Double-Helix B-DNA Molecules. Materials 2020, 13, 5119. Maciá, E. Base-Pairs’ Correlated Oscillation Effects on the Charge Transfer in Double-Helix B-DNA Molecules. Materials 2020, 13, 5119.
Abstract
By introducing a suitable renormalization process the charge carrier and phonon dynamics of a double-stranded helical DNA molecule is expressed in terms of an effective Hamitonian describing a linear chain, where the renormalized transfer integrals explicitly depend on the relative orientations of the Watson-Crick base pairs, and the renormalized on-site energies are related to the electronic parameters of consecutive base pairs along the helix axis, as well as to the low-frequency phonons dispersion relation. The existence of synchronized collective oscillations enhancing the π-π orbital overlapping among different base pairs is disclosed from the study of the obtained analytical dynamical equations. The role of these phonon-correlated, long-range oscillation effects on the charge transfer properties of double standed DNA homopolymers is discussed in terms of the resulting band structure.
Keywords
DNA charge transfer; effective Hamiltonians; renormalization techniques
Subject
Chemistry and Materials Science, Biomaterials
Copyright: This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
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