Effective interaction between charged nanoparticles and DNA

Paillusson, Fabien, Dahirel, Vincent, Jardat, Marie , Victor, Jean-Marc and Barbi, Maria (2011) Effective interaction between charged nanoparticles and DNA. Physical Chemistry Chemical Physics, 13 (27). pp. 12603-12613. ISSN 1463-9076

Full content URL: http://dx.doi.org/10.1039/C1CP20324J

Effective interaction between charged nanoparticles and DNA

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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.

Keywords:DNA, Nanoparticle, Toxicity
Subjects:F Physical Sciences > F300 Physics
F Physical Sciences > F170 Physical Chemistry
C Biological Sciences > C700 Molecular Biology, Biophysics and Biochemistry
Divisions:College of Science > School of Mathematics and Physics
ID Code:17975
Deposited On:11 Sep 2015 10:25

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