title: Simulating molecular shuttle movements: towards computer-aided design of nanoscale transport systems.
abstract: Molecular shuttles based on the motor protein kinesin and microtubule filaments have the potential to extend the lab-on-a-chip paradigm to nanofluidics by enabling the active, directed and selective transport of molecules and nanoparticles. Based on experimentally determined parameters, in particular the trajectory persistence length of a microtubule gliding on surface-adhered kinesin motors, we developed a Monte-Carlo simulation, which models the transport properties of guiding structures, such as channels, rectifiers and concentrators, and reproduces the properties of several experimentally realized systems. Our tool facilitates the rational design of individual guiding structures as well as whole networks, and can be adapted to the simulation of other nanoscale transport systems.
authors.affiliation: Department of Mathematical and Design Engineering, Gifu University, Gifu 501-1193, Japan. nittat@cc.gifu-u.ac.jp
authors.forename: Takahiro
authors.initials: T
authors.lastname: Nitta
authors.forename: Akihito
authors.initials: A
authors.lastname: Tanahashi
authors.forename: Motohisa
authors.initials: M
authors.lastname: Hirano
authors.forename: Henry
authors.initials: H
authors.lastname: Hess
mesh_terms: D003198:Computer Simulation; D017076:Computer-Aided Design; D016547:Kinesins / Q000737:chemistry; D046208:Microchip Analytical Procedures / Q000379:methods*; D008870:Microtubules / Q000737:chemistry; D008962:Models, Theoretical; D009010:Monte Carlo Method; D036103:Nanotechnology / Q000379:methods*
chemical_list: D016547:Kinesins