RT Journal Article
T1 π -π orbital resonance in twisting duplex DNA: Dynamical phyllotaxis and electronic structure effects
A1 Maciá Barber, Enrique Alfonso
AB 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.
PB American Physical Society
SN 1098-0121
YR 2009
FD 2009-09
LK https://hdl.handle.net/20.500.14352/42727
UL https://hdl.handle.net/20.500.14352/42727
LA eng
NO ©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.
NO Universidad Complutense de Madrid/Banco de Santander
DS Docta Complutense
RD 11 abr 2025