Designing nanostructured hybrid inorganic-biological materials via the self-assembly

Our objective is to design nanostructured hybrid inorganic-biological materials using the selfassembly 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 Dynamicsbased 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 molecular rigidity of the lipid molecules, and the concentration of the nanotubes. We present material characterization of the equilibrium morphology of the various hybrid nanostructures. A combination of the material characterization and the morphologies of the hybrid aggregates can be used to predict the structure and properties of other hybrid materials.