Coherence preservation and electron-phonon interaction in electron transfer in DNA

Area of Science:

• Biophysics
• Condensed Matter Physics
• Materials Science

Background:

• Electron transfer (ET) in DNA is crucial for biological processes.
• Understanding electron-phonon (e-ph) interactions is key to modeling ET coherence.
• Previous studies suggest polaron models are relevant for DNA ET.

Purpose of the Study:

• To analyze the influence of e-ph interaction on DNA ET processes.
• To model DNA's interaction with biologically relevant phonon reservoirs.
• To investigate the effect of e-ph interaction on ET coherence.

Main Methods:

• Envelope function approach for spinless electrons.
• Analysis of e-ph coupling in reciprocal space at half filling.
• Modeling of DNA-phonon reservoir interactions.

Main Results:

• At half filling, optical phonon modes predominantly influence ET, unlike acoustical modes.
• Optical modes are linked to inter-strand DNA vibrations.
• Large polarons are identified as the primary outcome of e-ph interactions.

Conclusions:

• E-ph interactions, particularly via optical modes, lead to large polaron formation in DNA.
• This polaron formation significantly affects ET coherence under physiological conditions.
• The relative isolation from thermal equilibration contributes to decoherence.