| Literature DB >> 26449742 |
Mansoor H Alshehri1, Barry J Cox2, James M Hill3.
Abstract
Nanoparticles have considerable promise for many applications in electronics, energy storage, bioscience and biotechnologies. Here we use applied mathematical modelling to exploit the basic principles of mechanics and the 6-12 Lennard-Jones potential function together with the continuum approach, which assumes that a discrete atomic structure can be replaced by an average constant atomic surface density of atoms that is assumed to be smeared over each molecule. We identify a circular hole in a graphene sheet as a nanopore and we consider the molecular interaction energy for both single-strand and double-strand DNA molecules assumed to move through the circular hole in a graphene sheet to determine the radius b of the hole that gives the minimum energy. By minimizing the interaction energy, we observe that the single-strand DNA and double-strand DNA molecules penetrate through a graphene nanopore when the pore radii b> 7.8Å and b> 12.7Å, respectively. Our results can be adopted to offer new applications in the atomic surface processes and electronic sensing.Entities:
Keywords: Continuum approach; Double-strand DNA (dsDNA); Graphene nanopore; Interaction energy; Lennard-Jones potential; Single-strand DNA (ssDNA)
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Year: 2015 PMID: 26449742 DOI: 10.1016/j.jtbi.2015.09.020
Source DB: PubMed Journal: J Theor Biol ISSN: 0022-5193 Impact factor: 2.691