Strategies will be explored to create synthetic macromolecules, covalent or supramolecular, analogous to folded proteins because of their locked-in specific shapes and the chemical map on their surfaces. For this purpose, experiments are proposed to understand the factors that control the formation of these nanostructures, for example, attractive vs. steric forces, rigidity contrast among molecular segments, and specific molecular interactions. Using NMR experiments with deuterated molecules and dynamic light scattering, the research program will also investigate the factors that allow some clusters to be polymerized nanoscopically into stable covalent polymers. Furthermore, the formation of nanostructures with topographical features such as cavities, pores, twists, or grooves will be investigated using binary or ternary compositions of aggregating molecules as well as chiral molecules. One of the specific strategies will involve the mixture of rod and rodcoil or rod-dendron molecules that aggregate but exclude the bulky segments to the periphery for entropic reasons. Part of this strategy will involve the formation of piercing cavities using chemically or enzymatically hydrolyzable molecular segments, and the formation of complex aggregates made up of more than one nanostructure. Because of the expected dimensions in these complex aggregated, there is a better chance to image aggregate geometry and phase composition. At the same time, the proposed experimental work will be complimented with computer simulations and genetic algorithms to identify new molecules that might be prone to self assemble into the desired structures.
Learning how to create shape-defined structures that mimic proteins could lead to the discovery of highly functional synthetic structures analogous to those found in biology. The possibilities include macromolecular structures that function as materials with sensing capacity or with the ability to transfer information as a result of contact with agents in the environment. Such novel materials could have a deep impact in medicine and also on highly advanced technologies for human-computer interfaces.
