February 12, 2016
Harvey Ingham Room 134: 12–12:50 p.m.
Taylor A. Harville and Matthew Zwier Ph.D. (Mentor), both of the Department of Chemistry, Drake University

Title: “Interactions of MG132 with Multiwalled Carbon Nanotubes”

Abstract: MG132 is a drug used to prevent the breakdown of bone density caused by overactive osteoclastic bone resorption. The drug exhibits a burst release mechanism when delivered via a calcium phosphate based cement. It has since been shown that when multiwalled carbon nanotubes are present in the calcium phosphate based cement the release of MG132 is slowed to a more sustained release. The proposed mechanism of interaction between the drug and the multiwalled carbon nanotubes were based on the hydrophobic effect or on the π-stacking of the phenyl group of MG132 with the delocalized electrons of the nanotubes. The basis of this research is to determine more exactly the interactions between MG132 and the multiwalled carbon nanotubes using molecular dynamics simulations. The results to date show that the diffusion of MG132 along the multiwalled carbon nanotubes are mostly dominated by the drugs interactions with water. The non-solvent interactions were shown to be a combination of the hydrophobic effect, the van Der Waals interactions, and the π-stacking interactions.