title: Electronic detection of dsDNA transition from helical to zipper conformation using graphene nanopores.
abstract: Mechanical manipulation of DNA by forced extension can lead double-stranded DNA (dsDNA) to structurally transform from a helical form to a linear zipper-like form. By employing classical molecular dynamics and quantum mechanical nonequilibrium Green's function-based transport simulations, we show the ability of graphene nanopores to discern different dsDNA conformations, in a helical to zipper transition, using transverse electronic conductance. In particular, conductance oscillations due to helical dsDNA vanish as dsDNA extends from a helical form to a zipper form while it is transported through the nanopore. The predicted ability to detect conformational changes in dsDNA via transverse electronic conductance can widen the potential use of graphene-based nanosensors for DNA detection.
authors.affiliation: Beckman Institute for Advanced Science and Technology, University of Illinois, Urbana, Illinois, USA. Department of Electrical and Computer Engineering, University of Illinois, Urbana, Illinois, USA.
authors.forename: Chaitanya
authors.initials: C
authors.lastname: Sathe
authors.forename: Anuj
authors.initials: A
authors.lastname: Girdhar
authors.forename: Jean-Pierre
authors.initials: JP
authors.lastname: Leburton
authors.forename: Klaus
authors.initials: K
authors.lastname: Schulten
mesh_terms: D015374:Biosensing Techniques / Q000379:methods*; D004247:DNA / Q000737:chemistry*; D004581:Electronics / Q000379:methods*; D006108:Graphite; D006801:Humans; D008968:Molecular Conformation; D056004:Molecular Dynamics Simulation; D058608:Nanopores; D011789:Quantum Theory; D055672:Static Electricity
chemical_list: D006108:Graphite; D004247:DNA