Faraji, Elham (2022) Quantum transport phenomena in macromolecules. [Tesi di dottorato]

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Abstract

We have studied generalization of Davydov’s model with a second quantization Hamiltonian for investigating quantum energy and information transfer of a single excitation electron in electron-phonon interactions in biochemical reactions. As a first step, We have considered a biomolecule as a spin network (without environment/phonons) with N atoms and three channels and studied the electronic information transfer fidelity in this network. Then moving on to a more realistic model of electron-phonon interactions, we addressed the problem of the energy down-conversion of the light absorbed by a protein into its internal vibrational modes (phonons). It means the energy transfer from electronic excitation into phonon excitation. Then, we also studied the motion of an electron along a sequence of nucleotides proper to a DNA fragment. Supposing the site-dependent electron tunneling term and electron-phonon coupling constants whose sequence of values reflects the sequence of nucleotides, we showed transition between random and periodic electron currents. Inspiring from this model, we investigate co-resonances in the cross-Fourier-spectra of the electronic currents excited along the backbones of interacting proteins and excited along DNA fragments suggested by resonant recognition model (RRM) to find how the partners of the biochemical reaction can be facilitated.

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