Κανδαράκης Ιωάννης, Καθηγητής, Μηχανικών Βιοϊατρικής, Πανεπιστήμιο Δυτικής Αττικής
Nanomaterials offer new promising applications in medicine, physics, engineering and other fields varying from energy storage to paints, industrial catalysts and drug delivery. The increasing applications of these engineered nanostructures require that they have specialized properties for each of their desired functions; these properties can be acquired through functionalization of their surface with various chemical groups and architectures. Nanoparticles can be functionalized with surface attachment of ligands such as small molecules, surfactants, dendrites, polymers, biomolecules, etc.
Indefinite combinations of functionalized nanoparticles can exist when coating them with different ligands. To test which functionalized nanoparticles are best suited for the intended nanoparticle application, one may resort to wet lab experiments. However, experiments can be costly considering different experimental steps such as nanoparticle synthesis, functionalization, characterization, quality control, conduction of experiments etc. One way to minimize the cost and time needed for these experiments, is to first run inexpensive computer simulations in order to predict which nanoparticles are best suited for the intended application, and then test in the lab only a few nanoparticles, which are predicted as promising from simulations.
Nanomaterials, ligands, functionalized nanoparticles, Molecular Dynamics simulations, web development