Simulations nanoparticle-membrane interaction

As the DPD method has been detailed extensively elsewhere [55], here we provide only a brief description of the technique. Similar to MD simulations, DPD captures the time evolution of a many-body system through the numerical integration of Newton s equation of motion, dvi/dt = 5, where the mass m of a bead of any species is set to 1. (We use the term bead to refer to a single point particle in the numerical simulation, and the term particle to refer to a nanoparticle, the interaction of which with a membrane is studied here.) Unlike MD simulations,... 

Dissipative Particle Dynamic Simulations of Nanoparticle-Cell Membrane Interactions J35... 

It is expected that, in the future, mesoscale simulations of nanoparticle-cell membrane interactions will become an important tool in the design of nanoparticle-based tools in medicine, agriculture and other areas. As nanoparticle-based drug dehvery, cancer treatment, or imaging methods are proposed, particular attention must be paid to ensure selectivity (i.e. that tumor cells are targeted, while all other cells are left alone). This, in turn, requires not only the correct addition... 

One could also expect that mesoscale simulations will become important tool in studies of nanoparticle cytotoxicity. Over the past decade, the number of products containing nanoparticles (i.e. dimensions <100 nm) has increased dramatically. As these nanoparticles are introduced into various media (mainly polymer matrices), they are functionahzed with different Ugands and surfactants to achieve better dispersions. The simulation techniques discussed in this chapter may help to understand, from a quahtative aspect, how the interaction of nanoparticles with cell membranes wiU depend not only on the type of surface modification but also on the particle size and shape. 

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