Deciphering and quantifying molecular interactions driving self-assembly and fibrillar growth in organogels

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The aim of Dr. Rogers’ research program is to develop a fundamental, bottom-up approach to self-assembly in molecular gels, in hopes of answering the question: why do some simple small molecules self-assemble into nano-assemblies, including fibers, ribbons and capsules? The relationships between the structures of sorbitol-derived molecules and their nanostructural, microstructural, and supramolecular architectures in various solvents will be investigated. The objectives are 1) what functional groups enhance self-assembly of the D-sorbitol derived molecules; 2) how intermolecular forces drive assembly into different supramolecular structures (e.g., fibers versus ribbons); and 3) how changes in molecular structure and non-covalent interactions alter the regions of Hansen space that correlates to the formation of gels. Specifically, Dr. Rogers will focus on molecular gels, derived from sugars (i.e., sorbitol), with the long-term goal to reduced trans fats in processed foods by nanostructuring edible oils into solids. By systematically evaluating the data, the following queries will be addressed: (1) What functional groups enhance self-assembly in self-assembled fibrillar networks (SAFiNs)?; and (2) How do intermolecular forces drive assembly into different supramolecular structures (e.g., fibers, ribbons, etc.)? These correlations will be a basis for developing tools allowing the scientific community to employ rational designs to develop new gelators. This will be the most comprehensive and complete study to date on the roles of solvent and gelator molecular characteristics on self-assembly into molecular gels! Predictive parameters will be developed to determine why some small molecules self-assemble into fibers in specific solvents and other do not, information that may explain the origins of aggregation processes in nature. The proposed research is highly interdisciplinary and the PI will utilize multidisciplinary training for the students. The a priori tools, established in this NSERC DG, will enable the discovery of new small molecules capable of forming molecular gels that can not only structure edible oils but also have applications in photovoltaics, light harvesting, controlled drug release, and nucleating polymers, all of which are currently being investigated.