DNA-assisted assembly of cationic gold nanoparticles: Monte Carlo simulation

Soft Matter. 2021 Oct 27;17(41):9315-9325. doi: 10.1039/d1sm01014j.

Abstract

DNA-assisted assembly of ligand-stabilized gold nanoparticles is studied using Monte Carlo simulations with coarse-grained models for DNA and AuNP. Their interaction in a periodic simulation box is described by a combination of electrostatic and pairwise hard core potentials. We first probe the self-assembly of AuNPs resulting in an ordered distribution on a single fixed DNA strand. Subsequently, the effective force calculated between a pair of parallel DNA in the presence of AuNPs shows the attraction between them at short distance associated to a stable equilibrium position. Finally, the osmotic pressure calculated in a compact DNA-AuNP lattice with various amounts of monovalent salt ions shows that an increasing amount of salt prevents aggregate formation.

MeSH terms

  • Cations
  • DNA
  • Gold*
  • Metal Nanoparticles*
  • Monte Carlo Method

Substances

  • Cations
  • Gold
  • DNA