Scaling of temperature dependence of charge mobility in molecular Holstein chains.

The temperature dependence of a charge mobility in a model DNA based on a Holstein Hamiltonian is calculated for four types of homogeneous sequences It has turned out that upon rescaling all four types are quite similar. Two types of rescaling, i.e., those for low and intermediate temperatures, are found. The curves obtained are approximated on a logarithmic scale by cubic polynomials. We believe that for model homogeneous biopolymers with parameters close to the designed ones, one can assess the value of the charge mobility without carrying out resource-intensive direct simulation, just by using a suitable approximating function.

[Dynamics of charge transfer along an oligonucleotide at finite temperature]. / Dinamika perenosa zariada vdol' oligonukleotida pri konechnoi temperature.

The quantum-statistical approach was used to describe the charge transfer in nucleotide sequences. The results of numerical modeling for hole transfer in the GTTGGG sequence with background temperature noise are given. It was shown that, since guanine has an oxidation potential lower than thymine, the hole created at the G donor in this sequence passes through the thymine barrier into the guanine triplet (acceptor) at a time of approximately 10 ps at a temperature of 37 degrees C.