title: Evaluation of synthetic linear motor-molecule actuation energetics.
abstract: By applying atomic force microscope (AFM)-based force spectroscopy together with computational modeling in the form of molecular force-field simulations, we have determined quantitatively the actuation energetics of a synthetic motor-molecule. This multidisciplinary approach was performed on specifically designed, bistable, redox-controllable [2]rotaxanes to probe the steric and electrostatic interactions that dictate their mechanical switching at the single-molecule level. The fusion of experimental force spectroscopy and theoretical computational modeling has revealed that the repulsive electrostatic interaction, which is responsible for the molecular actuation, is as high as 65 kcal.mol(-1), a result that is supported by ab initio calculations.
authors.affiliation: Department of Mechanical and Aerospace Engineering, Institute for Cell Mimetic Space Exploration, and California Nanosystems Institute, University of California, Los Angeles, CA 90095, USA.
authors.forename: Branden
authors.initials: B
authors.lastname: Brough
authors.forename: Brian H
authors.initials: BH
authors.lastname: Northrop
authors.forename: Jacob J
authors.initials: JJ
authors.lastname: Schmidt
authors.forename: Hsian-Rong
authors.initials: HR
authors.lastname: Tseng
authors.forename: Kendall N
authors.initials: KN
authors.lastname: Houk
authors.forename: J Fraser
authors.initials: JF
authors.lastname: Stoddart
authors.forename: Chih-Ming
authors.initials: CM
authors.lastname: Ho
mesh_terms: D018625:Microscopy, Atomic Force; D020409:Molecular Motor Proteins / Q000737:chemistry* / Q000378:metabolism*; D043862:Rotaxanes / Q000737:chemistry; D055672:Static Electricity; D013816:Thermodynamics
chemical_list: D020409:Molecular Motor Proteins; D043862:Rotaxanes