title: Determination of DNA-base orientation on carbon nanotubes through directional optical absorbance.
abstract: We develop an approach for determining the orientation of DNA bases attached to carbon nanotubes (CNTs), by combining ab initio time-dependent density functional theory and optical spectroscopy measurements. The structures we find are in good agreement with the geometry of nucleosides on a (10,0) CNT obtained from molecular simulations using empirical force fields. The results shed light into the complex interactions of the DNA-CNT system, a candidate for ultrafast DNA sequencing through electronic probes.
authors.affiliation: Department of Physics and School of Engineering and Applied Sciences, Harvard University, Cambridge, Massachusetts 02138, USA.
authors.forename: Sheng
authors.initials: S
authors.lastname: Meng
authors.forename: Wei L
authors.initials: WL
authors.lastname: Wang
authors.forename: Paul
authors.initials: P
authors.lastname: Maragakis
authors.forename: Efthimios
authors.initials: E
authors.lastname: Kaxiras
mesh_terms: D003198:Computer Simulation; D003461:Crystallography / Q000379:methods; D004247:DNA / Q000737:chemistry* / Q000648:ultrastructure*; D008027:Light; D008956:Models, Chemical; D008958:Models, Molecular; D037742:Nanotubes, Carbon / Q000737:chemistry* / Q000648:ultrastructure*; D009690:Nucleic Acid Conformation; D009705:Nucleosides / Q000737:chemistry*; D010783:Photometry / Q000379:methods; D012031:Refractometry / Q000379:methods*; D012542:Scattering, Radiation
chemical_list: D037742:Nanotubes, Carbon; D009705:Nucleosides; D004247:DNA