Physics – Condensed Matter – Soft Condensed Matter
Scientific paper
2005-01-25
Phys. Rev. Lett. 94, 178102 (2005)
Physics
Condensed Matter
Soft Condensed Matter
4 pages, 4 figures included, final version, accepted for publication in Phys. Rev. Lett
Scientific paper
10.1103/PhysRevLett.94.178102
Motivated by recent experiments we have studied the optical conductivity of DNA in its natural environment containing water molecules and counter ions. Our density functional theory calculations (using SIESTA) for four base pair B-DNA with order 250 surrounding water molecules suggest a thermally activated doping of the DNA by water states which generically leads to an electronic contribution to low-frequency absorption. The main contributions to the doping result from water near DNA ends, breaks, or nicks and are thus potentially associated with temporal or structural defects in the DNA.
Cox Daniel L.
Endres Robert G.
Huebsch Arnd
Singh Rajiv R. P.
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