Issue 27, 2011

Effective interaction between charged nanoparticles and DNA

Abstract

We investigate the effective interaction mediated by salt ions between charged nanoparticles (NPs) and DNA. DNA is modeled as an infinite cylinder with a constant surface charge in an implicit solvent. Monte Carlo simulations are used to compute the free energy of the system described in the framework of the primitive model of electrolytes, which accounts for excluded volumes of salt ions. A mean-field Poisson–Boltzmann theory also allows us to compute the free energy and provides us with explicit formulae for its main characteristics (position and depth of the minimum). We intend here to identify the physical parameters that have a major impact on the NP–DNA interaction, in an attempt to evaluate physico-chemical properties which could play a role in genotoxicity or, which could be exploited for therapeutic use. Thus, we investigate the influence on the effective interaction of: the shape of the nanoparticle, the magnitude of the nanoparticle charge and its distribution, the value of the pH of the solution, the magnitude of Van der Waals interactions depending on the nature of the constitutive material of the NP (metal vs. dielectric). We show that for positively charged concave NPs the effective interaction is repulsive at short distance, so that it presents a minimum at distance from the DNA. This short-range repulsion is specific to indented particles and is a robust property that holds for a large range of materials and charge densities.

Graphical abstract: Effective interaction between charged nanoparticles and DNA

Article information

Article type
Paper
Submitted
07 Feb 2011
Accepted
13 Apr 2011
First published
14 Jun 2011

Phys. Chem. Chem. Phys., 2011,13, 12603-12613

Effective interaction between charged nanoparticles and DNA

F. Paillusson, V. Dahirel, M. Jardat, J. Victor and M. Barbi, Phys. Chem. Chem. Phys., 2011, 13, 12603 DOI: 10.1039/C1CP20324J

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