PhD Project: A computational approach towards the understanding of the diffusion of nanoparticles in biological fluids

Technological University Dublin

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  • Dublin
    Technological University Dublin
    Sep 16, 2020

Nanoparticles (NPs) have been proposed for a variety of medical applications, such as vehicles for specific targeted drug delivery or probes for advance diagnostic techniques. These applications rely on the ability of NPs to reach precise structures within a living organism. As living cells are filled with a polydisperse mixture of biomolecules suspended in water at high volume fractions, the mobility of nanomaterials in these crowded environments is not only slowed but also presents anomalous diffusion. Understanding the mechanisms involve in the diffusion of NPs in naturally crowded environments will help to design more effective materials for nanomedicine applications. Furthermore, this knowledge is also fundamental to predict their toxicological effect and could help to design safer materials. In this project we propose a computational approach to study the diffusion of NPs in crowded environments. Specifically, we will develop Coarse-Grained Molecular Dynamic models that mimics the diffusion of NPs in biological fluids and study the effect of the functionalization, the electric charge and the size of the NPs on their transport properties. The proposed models and the results obtained from this project will be a significant contribution to the knowledge of how NPs are transported inside living organisms.

The successful applicant will be hosted at the FOCAS institute and is expected to interact with experimentalist at the NanoLab research group. Interested candidates are welcome to contact Dr. Hender Lopez ([email protected]) for further information.