title: Self-assembly of DNA on a gapped carbon nanotube.
abstract: We perform molecular dynamics simulations to analyze the wrapping process of a single-stranded (ss) DNA around a gapped CNT immersed in a bath of water. We observe the formation of a stable molecular junction with the ssDNA adopting a helical or circular conformation around one CNT electrode and a linear conformation around the opposite electrode. We find that DNA undergoes several conformational changes during equilibration of the self-assembled molecular junction. This process would allow a higher yield of successful CNT-DNA interconnections, which constitutes a novel structure of interest in chemical and biological sensing at the single-molecule level.
authors.affiliation: Department of Chemical Engineering, Texas A&M University College Station, Texas 77843, USA.
authors.forename: Alfredo D
authors.initials: AD
authors.lastname: Bobadilla
authors.forename: Jorge M
authors.initials: JM
authors.lastname: Seminario
mesh_terms: D004247:DNA / Q000737:chemistry*; D004277:DNA, Single-Stranded / Q000737:chemistry; D006860:Hydrogen Bonding; D056004:Molecular Dynamics Simulation; D037742:Nanotubes, Carbon / Q000737:chemistry*; D009690:Nucleic Acid Conformation; D055672:Static Electricity
chemical_list: D004277:DNA, Single-Stranded; D037742:Nanotubes, Carbon; D004247:DNA