title: Translocation of "rod-coil" polymers: probing the structure of single molecules within nanopores.
abstract: Using simulation and analytical techniques, we demonstrate that it is possible to extract structural information about biological molecules by monitoring the dynamics as they translocate through nanopores. From Langevin dynamics simulations of polymers exhibiting discrete changes in flexibility (rod-coil polymers), distinct plateaus are observed in the progression towards complete translocation. Characterizing these dynamics via an incremental mean first passage approach, the large steps are shown to correspond to local barriers preventing the passage of the coils while the rods translocate relatively easily. Analytical replication of the results provides insight into the corrugated nature of the free energy landscape as well as the dependence of the effective barrier heights on the length of the coil sections. Narrowing the width of the pore or decreasing the charge on either the rod or the coil segments are both shown to enhance the resolution of structural details. The special case of a single rod confined within a nanopore is also studied. Here, sufficiently long flexible sections attached to either end are demonstrated to act as entropic anchors which can effectively trap the rod within the pore for an extended period of time. Both sets of results suggest new experimental approaches for the control and study of biological molecules within nanopores.
authors.affiliation: Physics Department, University of Ottawa, Ottawa, Ontario, Canada K1N 6N5.
authors.forename: Hendrick W
authors.initials: HW
authors.lastname: de Haan
authors.affiliation: Physics Department, University of Ottawa, Ottawa, Ontario, Canada K1N 6N5.
authors.forename: Gary W
authors.initials: GW
authors.lastname: Slater
mesh_terms: D001704:Biopolymers / Q000737:chemistry*; D003198:Computer Simulation; D004247:DNA / Q000737:chemistry; D008956:Models, Chemical; D008968:Molecular Conformation; D058608:Nanopores / Q000648:ultrastructure*; D009690:Nucleic Acid Conformation; D017433:Protein Structure, Secondary; D011506:Proteins / Q000737:chemistry; D013816:Thermodynamics
chemical_list: D001704:Biopolymers; D011506:Proteins; D004247:DNA