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Presented By: LSA Biophysics

Nanoparticles Meet Biological Membranes: Probing Interaction Using Molecular Simulations

Angela Violi, Professor of Mechanical Engineering, Professor of Chemical Engineering, Professor of Macromolecular Science and Engineering, University of Michigan

Abstract:
Over the past decade, with advances in high-performance computing and data science, theory,
simulation, and computation continue to partner with experiment in discovery and innovation in
nanoscience and nanotechnology. Some of the most exciting applications are in the field of biomedicine. Indeed, a detailed understanding of the molecular details of interactions between nanoparticles and biological nanosystems, such as membranes or macromolecules is crucial for obtaining adequate information on mechanisms of action of nanomaterials as well as a perspective on the long-term effects of these materials and their possible toxicological outcomes. In this talk I will report on a new model that we are developing to understand and to predict the interactions between carbon-based nanomaterials and biological membranes using structure-based computational molecular modeling. A rationale on how nanoparticles of different sizes, shape, structure and chemical properties can affect the organization of cellular membranes is also presented. This critical information will help enable the “safe-by-design” production of engineered nanoparticles that are nontoxic or biocompatible, and also allow for the design of antimicrobial nanoparticles for environmental and biomedical applications.

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