title: Computer simulation of the assembly of gold nanoparticles on DNA fragments via electrostatic interaction.
abstract: Using Monte Carlo simulation, we study the metallization of DNA fragments via the templating of gold nanoparticles. To represent the interaction between metal entities, a nanoparticle-nanoparticle interaction potential was derived on the basis of the many-body Gupta potential. The aggregation of the nanoparticles on the template surface is due to the additive effect of electrostatic attraction between the positive charges on the Au particles and the negative charges of the phosphate groups of DNA molecule and the short-range attraction between the metallic nanoparticles. As a result, the assembly of a continuous nanowire can be templated. Depending on the nanoparticle size and charge, the metallic covering can be both continuous and discontinuous. The question of how size and charge of Au nanoparticles influence the structure of metallic coat is discussed in detail. Both monodisperse and polydisperse nanoparticles are considered. Dispersion in the nanoparticle size was found to have little effect on the calculated characteristics of the aggregate.
authors: Department of Theoretical Physics, Tver State University, Tver 170002, Russia. pv_komarov@mail.ru
authors: Pavel V
authors: PV
authors: Komarov
authors: Lubov V
authors: LV
authors: Zherenkova
authors: Pavel G
authors: PG
authors: Khalatur
mesh_terms: D003198:Computer Simulation; D004247:DNA / Q000737:chemistry*; D006046:Gold / Q000737:chemistry*; D053768:Metal Nanoparticles / Q000737:chemistry*; D008958:Models, Molecular; D009010:Monte Carlo Method; D010316:Particle Size; D055672:Static Electricity; D013499:Surface Properties
chemical_list: D006046:Gold; D004247:DNA