Abstract
Charge transport through an eight-base pair methylated DNA strand and its native counterpart have been investigated. We focus on three factors, contact coupling, decoherence and temperature, which can contribute to DNA charge transport. Our results show that with the same choice of contact coupling, in the phase-coherent limit the transmission of the methylated strand is smaller in the bandgap at energies close to the highest occupied molecular orbital (HOMO), while inside the HOMO band, the transmission is oscillatory and the methylated DNA may have a larger transmission in certain energy windows. The trend in transmission also holds in the presence of the decoherence though there is a crossover in the transmission of the native and methylated strands away from the HOMO level. We also find that the transport depends on the strength of contact coupling and the measurement temperature.
This is a preview of subscription content, log in via an institution to check access.
Similar content being viewed by others
References
K. D. Robertson, Oncogene 20, 3139, (2001).
K. J. Vining, K. R. Pomraning, L. J. Wilhelm, H. D. Priest, M. Pellegrini, T. C. Mockler, M. Freitag and S. H. Strauss, BMC Genomics 13, 27, (2012).
T. A. Hore, R. W. Rapkins and J. A. M Graves, Trends Genet. 23, 440, (2007).
P. M. Das and R. Singal, J. Clin. Oncol. 22, 4632, (2004).
C. Bock, E. M. Tomazou, A. B. Brinkman, F. Muller, F. Simmer, H. Gu, N. Jager, A. Gnirke, H. G. Stunnenberg and A. Meissner, Nat. Biotechnol, 28, 1106, (2010).
M. Tsutsui, K. Matsubara, T. Ohshiro, M. Furuhashi, M. Taniguchi and T. Kawai, J. Am. Chem. Soc. 133, 9124, (2011).
J. Hihath, S. Guo, P. Zhang and N. Tao, J. Phys.: Condens. Matter 24, 164204, (2012).
A. K. Boal, J. K. Barton, Bioconj. Chem. 16, 312 (2005).
N. B. Muren and J. K. Barton J. Am. Chem. Soc. 135, 16632 (2013).
T. Macke and D. Case, in Molecular Modeling of Nucleic Acids, edited by N. B. Leontes and J. SantaLucia Jr. (American Chemical Society: Washington, DC, 1998), pp. 379.
M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, {etet al.}, Gaussian 09. Gaussian, Inc.: Wallingford, CT, (2009).
P. Lowdin, J. Chem. Phys. 18, 365, (1950).
M. Buttike, Phys. Rev. Lett. 57, 1761, (1986).
J. Qi, N. Edirisinghe, M. G. Rabbani and M. P. Anantram, Phys. Rev. B 87, 085404, (2013).
acknowledgments
This work is supported by the National Science Foundation under Grant No. 102781. The authors would like to thank Professor Joshua Hihath at University of California, Davis for extensive discussions on experimental conductance measurements of DNA strands.
Author information
Authors and Affiliations
Rights and permissions
About this article
Cite this article
Qi, J., Anantram, M.P. Charge Transport through Methylated DNA Strand. MRS Online Proceedings Library 1689, 7–12 (2014). https://doi.org/10.1557/opl.2014.595
Published:
Issue Date:
DOI: https://doi.org/10.1557/opl.2014.595