Base-Pairs’ Correlated Oscillation Effects on the Charge Transfer in Double-Helix B-DNA Molecules

Materials

Enrique Maciá¹ 

[1] Departamento de Física de Materiales, Facultad CC. Físicas, Universidad Complutense de Madrid, E-28040 Madrid, Spain;

关键词: DNA charge transfer;    effective Hamiltonians;    renormalization techniques;   

DOI  :  10.3390/ma13225119

来源: DOAJ

【 摘 要 】

By introducing a suitable renormalization process, the charge carrier and phonon dynamics of a double-stranded helical DNA molecule are expressed in terms of an effective Hamiltonian 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 $\pi$-$\pi$ 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-stranded DNA homopolymers is discussed in terms of the resulting band structure.

【 授权许可】

Unknown