Study of DNA conducting properties: Reversible and irreversible evolution

•The hole transport through DNA base sequences was modeled.•The hopping and superexchange transfer mechanisms were discussed.•The reversible and irreversible dynamics of the hole were described.•Distance dependence of the hole transport relative rate was investigated.

A hole transport through DNA base sequences was modeled. The fact that DNA consists of two polynucleotide strands was taken into consideration. Specific DNA base locations are determined in the model. The model predicts the behavior of a hole acting on the DNA chain, taking into account reversible and irreversible dynamics. It was shown that the transfer mechanisms depend on the sequence type and can be either of hopping nature or of superexchange one. Distance dependence of the hole transport relative rate on the number of hopping steps was investigated. The results obtained were compared with the experimental data. The investigation demonstrates the utilization of the formalism in practical problems for description of the charge migration through the different molecular sequences.

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