Abstract
Deoxyribonucleic acid (DNA) is the genetic material for all living organisms, and as a nanostructure offers the means to create novel nanoscale devices. In this paper, we investigate the interaction of deoxyribonucleic acid inside single-walled carbon nanotubes. Using classical applied mathematical modeling, we derive explicit analytical expressions for the encapsulation of DNA inside single-walled carbon nanotubes. We adopt the 6–12 Lennard–Jones potential function together with the continuous approach to determine the preferred minimum energy position of the dsDNA molecule inside a single-walled carbon nanotube, so as to predict its location with reference to the cross-section of the carbon nanotube. An analytical expression is obtained in terms of hypergeometric functions which provides a computationally rapid procedure to determine critical numerical values. We observe that the double-strand DNA can be encapsulated inside a single-walled carbon nanotube with a radius larger than 12.30 Å, and we show that the optimal single-walled carbon nanotube to enclose a double-stranded DNA has radius 12.8 Å.
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Alshehri, M.H., Cox, B.J. & Hill, J.M. Interaction of double-stranded DNA inside single-walled carbon nanotubes. J Math Chem 50, 2512–2526 (2012). https://doi.org/10.1007/s10910-012-0046-2
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DOI: https://doi.org/10.1007/s10910-012-0046-2