CAREER:Self-Healing Under Flow: From Single Molecule Dynamics to Regenerative Scaffold Formation

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Technical SummaryThis CAREER award supports theoretical and computational research and education on self-healing under flow, inspired by the ubiquitous, yet far from understood, process of blood clotting. When blood clots, a biopolymer-cellular network that plugs the leak and heals the wound is developed in response to chemical and mechanical stimuli. The formation of these networks in flow constitutes a new paradigm in biopolymer science, and has the potential to uncover new properties of these biomaterials since they are formed under strong non-equilibrium conditions. The work here proposed will utilize theory and simulations to unravel the overall formation process of these polymer-cell composites from a microscopic point of view to gain fundamental knowledge of the process of self-assembly, adhesion, and self-healing in complex flows, providing not only knowledge on how clots are initiated and controlled, but a guideline for future studies that address the problem of self-assembly in flow. Ultimately, we believe that by exploiting flow-induced interactions and molecular conformational changes, a new set of materials principles can emerge with applications in a wide variety of fields including drug-delivery, coatings and sealing agents, self-regenerative materials, and adhesives. This project also aims to inspire younger people to pursue a career in science and be the next generation of outstanding researchers. Education and outreach activities will include summer mentoring of minority students from local community colleges, the development of integrated courses that employ cyberinfrastructure, and the creation of a computational suite that will allow students from all ages to interact and experiment with soft-materials.Non-technical Summary This CAREER award supports theoretical and computational research and education on self-healing under flow inspired by how blood clots. A clot is formed in blood by accumulating and sticking together many platelets at the site of injury. In strong flowing conditions, however, platelets cannot stick to themselves and thus no clot can be formed. To alleviate this deficiency nature has developed the von Willebrand factor, a long responsive biopolymer which is a large molecule with repeating blocks of atoms. The von Willebrand factor unravels and exposes a bunch of sticky sites with which it interconnects platelets, as well as stick them to the injury site. The biopolymer-platelet composite is called the plug and it is our body's first response to an injured vessel. However, the process by which this plug forms is still far from understood. This project aims to elucidate the mechanism by which clots form using theory and simulations. It will develop a microscopic view of the important processes occurring during plug formation. This research contributes theoretical guidance for creating novel materials in a wide variety of technologically relevant fields such as drug-delivery, coatings and sealing agents, self-regenerative materials, and adhesives. This project also aims to inspire younger people to pursue a career in science and be the next generation of outstanding researchers. Education and outreach activities will include summer mentoring of minority students from local community colleges, the development of integrated courses that employ cyberinfrastructure, and the creation of a computational suite that will allow students from all ages to interact and experiment with soft-materials like plastics.