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Detection of defective DNA in carbon nanotubes by combined molecular dynamics/tight-binding technique
 

Summary: Detection of defective DNA in carbon nanotubes by combined molecular
dynamics/tight-binding technique
Yang Xu, Xiaobing Mi, and N. R. Alurua
University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA
Received 14 July 2009; accepted 25 August 2009; published online 18 September 2009
A tight-binding method combined with molecular dynamics MD is used to investigate the
electrostatic signals generated by DNA segments inside short semiconducting single-wall carbon
nanotubes CNTs . The trajectories of DNA, ions, and waters, obtained from MD, are used in the
tight-binding method to compute the electrostatic potential. The electrostatic signals indicate that
when the DNA translocates through the CNT, it is possible to identify the total number of base pairs
and the relative positions of the defective base pairs in DNA chains. Our calculations suggest that
it is possible to differentiate Dickerson and hairpin DNA structures by comparing the signals.
2009 American Institute of Physics. doi:10.1063/1.3231922
Rapid and cheaper techniques to sequence and detect
DNA abnormality could revolutionize the use of genetic in-
formation and biomedical research.13
Defective DNA seg-
ments can commonly be found in cancer patients, where
one or multiple DNA bases as well as the corresponding
backbones are inserted, missing or unpaired.4,5

  

Source: Aluru, Narayana R. - Department of Mechanical and Industrial Engineering, University of Illinois at Urbana-Champaign

 

Collections: Engineering; Materials Science