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TT: Fachverband Tiefe Temperaturen
TT 16: TR: Nanoelectronics III - Molecular Electronics 1
TT 16.2: Vortrag
Montag, 14. März 2011, 18:30–18:45, HSZ 03
Electronic signatures of DNA with oxidative damage(8-oxoguanine) — •Myeong Lee1, Giorgia Brancolini2, Rafael Gutierrez1, and Gianaurelio Cuniberti1 — 1Institute for Materials Science and Max Bergmann Center of Biomaterials, Dresden University of Technology, 01062, Dresden, Germany — 2National Research Center on nanoStructures and bioSystems at Surfaces (S3) of INFM-CNR, Via Campi 213/A, 41100 Modena, Italy
8-Oxoguanine (8-oxoG) is the most common form of oxidative DNA damage found
in human cells.
When DNA polymerases encounter 8-oxoG, they frequently misincorporate adenine
in preference to cytosine,
leading to G:C → T:A transversion mutation
which is commonly found in age-related diseases and human cancers.
How DNA repair enzymes recognize 8-oxoG lesions within the entire genome
is a long-standing question.
Recent experiment by Markus et al. [1] suggests that electronic property
of 8-oxoG might play a role in the mechanism of locating damage.
In this talk we discuss the electronic structure and
charge transfer characteristics of dsDNA sequence with 8-oxoG:C and
8-oxoG:A base pairs compared to the one with regular base pairs (G:C).
We fully consider the effect of solvent environment and structural
fluctuations [2]
by combining molecular dynamics (MD) simulations and electronic structure
calculations.
T.Z. Markus et al., J. Am. Chem. Soc. 131, 89 (2008).
P. B. Woiczikowski et al., J. Chem. Phys. 130, 215104 (2009);
R. Gutierrez, et al., Phys. Rev. Lett. 102, 208102 (2009);
M.H. Lee et al., Phys. Rev. B 82, 155455 (2010).