title: Role of dissolved salts in thermophoresis of DNA: lattice-Boltzmann-based simulations.
abstract: We use a lattice Boltzmann based Brownian dynamics simulation to investigate the dependence of DNA thermophoresis on its interaction with dissolved salts. We find the thermal diffusion coefficient D{T} depends on the molecule size, in contrast with previous simulations without electrostatics. The measured S{T} also depends on the Debye length. This suggests thermophoresis of DNA is influenced by the electrostatic interactions between the polymer beads and the salt ions. However, when electrostatic forces are weak, DNA thermophoresis is not found, suggesting that other repulsive forces such as the excluded volume force prevent thermal migration.
authors.affiliation: Department of Chemistry, University of Texas at Tyler, Tyler, Texas, USA.
authors.forename: Audrey
authors.initials: A
authors.lastname: Hammack
authors.forename: Yeng-Long
authors.initials: YL
authors.lastname: Chen
authors.forename: Jennifer Kreft
authors.initials: JK
authors.lastname: Pearce
mesh_terms: D001703:Biophysics / Q000379:methods*; D002412:Cations; D003102:Colloids / Q000737:chemistry; D003198:Computer Simulation; D004247:DNA / Q000737:chemistry*; D004058:Diffusion; D007477:Ions; D008956:Models, Chemical; D015233:Models, Statistical; D009690:Nucleic Acid Conformation; D010316:Particle Size; D011108:Polymers / Q000737:chemistry; D012492:Salts / Q000737:chemistry*; D055672:Static Electricity; D013696:Temperature
chemical_list: D002412:Cations; D003102:Colloids; D007477:Ions; D011108:Polymers; D012492:Salts; D004247:DNA