Arnaud Clavier

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We report molecular dynamic simulations showing that a DNA molecule constituted by five unique bases can be spontaneously inserted into single walled carbon nanotube (SWCNT) in normal conditions (P, T and water environment) depending on the tube radius value. The van der Waals and electrostatic interactions play a central role for the rapid insertion(More)
Nanoparticle surface charge properties represent key parameters to predict their fate, reactivity, and complexation in natural, biological, and industrial dispersions. In this context, we present here an original approach to better understand the surface charge electrostatic properties of spherical nanoparticles (NPs). The ion distribution around one(More)
Major concerns to elucidate the fate of nanomaterials and manufactured nanoparticles in aquatic systems are related to the lack of data on nanoparticle transformations under relevant environmental conditions. The present article discusses some of the important physicochemical processes controlling the behavior of manufactured nanoparticles in aqueous(More)
Monte Carlo simulations are used to describe the charging behavior of metal oxide nanoparticles thus enabling a novel and original approach to predict nanoparticle reactivity and the possible interactions with biological and environmental molecules. The charging behavior of spherical nanoparticles is investigated by adjusting the pH of the media and the(More)
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