(721b) Designing Nanostructured Biomaterials Via the Self-Assembly of Functionalized Nanotubes and Lipids

Our objective is to design nanostructured biomaterials using the
self-assembly of functionalized nanotubes and lipid molecules. In this
presentation, we summarize the multiple control parameters which
direct the equilibrium morphology of a specific class of
nanostructured biomaterials. Individual lipid molecules are composed
of a hydrophilic head group and two hydrophobic tails. A bare nanotube
encompasses an ABA architecture, with a hydrophobic shaft (B) and two
hydrophilic ends (A). We introduce hydrophilic hairs at one end of the
tube to enable selective transport through the channel. The dimensions
of the nanotube are set to minimize its hydrophobic mismatch with the
lipid bilayer. We use a Molecular Dynamics-based mesoscopic simulation
technique called Dissipative Particle Dynamics which simultaneously
resolves the structure and dynamics of the nanoscopic building blocks
and the hybrid aggregate. The amphiphilic lipids and functionalized
nanotubes self-assemble into a stable hybrid vesicle or a bicelle in
the presence of a hydrophilic solvent. We demonstrate that the
morphology of the hybrid structures is directed by factors
such as the temperature, the rigidity of the lipid molecules, and the
concentration of the nanotubes. We characterize the equilibrium
morphology of the hybrid aggregate in terms of the properties of its
components.