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π -π orbital resonance in twisting duplex DNA: Dynamical phyllotaxis and electronic structure effects

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Maciá Barber, Enrique Alfonso (2009) π -π orbital resonance in twisting duplex DNA: Dynamical phyllotaxis and electronic structure effects. Physical review B, 80 (12). ISSN 1098-0121

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Official URL: http://dx.doi.org/10.1103/PhysRevB.80.125102


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Abstract

The presence of synchronized, collective twist motions of the Watson-Crick base pairs in DNA duplexes (helicoidal standing waves) can efficiently enhance the pi-pi orbital overlapping between nonconsecutive base pairs via a long-range, phonon-correlated tunneling effect. The resulting structural patterns are described within the framework of dynamical phyllotaxis, providing a realistic treatment which takes into account both the intrinsic three-dimensional, helicoidal geometry of DNA, and the coupling between the electronic degrees of freedom and double-helix DNA molecular dynamics at low frequencies. The main features of the resulting electronic band structures are discussed for several resonance frequencies of interest, highlighting the possible biophysical implications of the obtained results.


Item Type:Article
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©2009 The American Physical Society.
I warmly thank Alexander Voityuk for sharing useful information and M. V. Hernández for a critical reading of the manuscript. This work has been supported by the Universidad Complutense de Madrid and Banco Santander through Project No. PR34/07-15824.

Uncontrolled Keywords:Charge-transfer; Contact pressure; Nucleosome core; Hole transfer; Transport; Model; Conductivity; Fluctuations; Conformation; Molecules
Subjects:Sciences > Physics > Materials
Sciences > Physics > Solid state physics
ID Code:44495
Deposited On:07 Sep 2017 18:40
Last Modified:12 Sep 2017 11:19

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