A systematic study of electron or hole transfer along DNA dimers, trimers and polymers

作者：Simserides Constantinos^*

来源：Chemical Physics, 2014, 440: 31-41.

DOI：10.1016/j.chemphys.2014.05.024

• DNA
• Charge transfer in biological systems
• Dimers
• Trimers
• Polymers

A systematic study of carrier transfer along DNA dimers, trimers and polymers including poly(dG)-poly(dC), poly(dA)-poly(dT), GCGCGC..., ATATAT... is presented allowing to determine the spatiotemporal evolution of electrons or holes along a N base-pair DNA segment. Physical quantities are defined including maximum transfer percentage p and pure maximum transfer rate p/T when a period T is defined; pure mean transfer rate k and speed u = kd, where d is the charge transfer distance. The inverse decay length beta for the exponential fit k = k(0) exp(-beta d) and the exponent eta for the power-law fit k = k'N-0(-eta) are computed. beta approximate to 0.2-2 angstrom(-1), k(0) is usually 10(-2)-10(-1) PHz, generally approximate to 10(-4)-10 PHz. eta approximate to 1.7-17, k'(0) is usually 10(-2)-10(-1) PHz, generally approximate to 10(-4)-10(3) PHz. The results are compared with theoretical and experimental works. This method allows to assess the extent at which a specific DNA segment can serve for charge transfer.

• 出版日期2014-8-31