Effects of OH radical addition on proton transfer in the guanine-cytosine base pair.

@article{Zhang2007EffectsOO,
  title={Effects of OH radical addition on proton transfer in the guanine-cytosine base pair.},
  author={Ru bo Zhang and Leif A. Eriksson},
  journal={The journal of physical chemistry. B},
  year={2007},
  volume={111 23},
  pages={6571-6}
}
Double proton transfer (PT) reactions in guanine-cytosine OH radical adducts are studied by the hybrid density functional B3LYP approach. Concerted and stepwise proton-transfer processes are explored between N1(H) on guanine (G) and N3 on cytosine (C), and between N4(H) on C and O6 on G. All systems except GC6OH display a concerted mechanism. 8OHGC has the highest dissociation energy and is 1.2 kcal/mol more stable than the nonradical GC base pair. The origin of the interactions are… CONTINUE READING