π -π orbital resonance in twisting duplex DNA: Dynamical phyllotaxis and electronic structure effects
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 pat...
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2009 |
| País: | España |
| Institución: | Universidad Complutense de Madrid (UCM) |
| Repositorio: | Docta Complutense |
| Idioma: | inglés |
| OAI Identifier: | oai:docta.ucm.es:20.500.14352/42727 |
| Acceso en línea: | https://hdl.handle.net/20.500.14352/42727 |
| Access Level: | acceso abierto |
| Palabra clave: | 538.9 Charge-transfer Contact pressure Nucleosome core Hole transfer Transport Model Conductivity Fluctuations Conformation Molecules Física de materiales Física del estado sólido 2211 Física del Estado Sólido |
| Sumario: | 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. |
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