Functional DNA Nanostructures

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NONTECHNICAL SUMMARYThis award supports theoretical and computational research and education on exploiting DNA self-assembly to develop a new class of functional materials that outperform their analogs in biological systems. Development of man-made systems that reproduce the functionality and outperform biological systems is one of the most challenging and intriguing aims of science and engineering. Miniature systems that perform practical tasks are in demand in all areas of modern technology, from protective clothing, filtration, and electronics to synthetic enzymes and artificial tissues. Self-assembly of DNA molecules programmed by the letters of the genetic alphabet has emerged as a practical method for building complex miniature objects. Driven by the complementary pairing of A and T and C and G DNA bases, such molecular self-assembly is robust and occurs in a massively parallel fashion. Using an arsenal of computational approaches, this project will develop man-made DNA systems capable of performing the functions of naturally occurring biological machines, including ones that alter the composition of biological membranes, use electricity to power rotary motors, harness the energy of light to generate thrust, and remain functional in the cellular environment. Products of the research will be used to educate the next generation of scientists and engineers through new graduate and undergraduate courses, annual hands-on workshops, interactive demonstrations of scientific concepts and lessons for middle school and high school students. Ultimately, this project will contribute to the development of synthetic systems capable of performing diverse functions of biological systems without the complexities required to sustain biological life.TECHNICAL SUMMARYThis award supports theoretical and computational research and education to investigate self-assembly of DNA as a way to develop a new class of functional nanostructures that reproduce and exceed the functionality of biological systems. All-atom, coarse-grained and continuum models of nanoscale interactions will be combined to obtain an accurate description of the electrostatic, optical, hydrodynamic and thermodynamic forces that give rise to the nanostructures with desired functionalities. The PI will focus on DNA nanostructures that can be inserted into lipid membranes in response to external stimuli to regulate the passage of nutrients and signals across cellular boundaries and to alter the composition of the biological membranes. DNA systems will be designed to convert light or an electric field into forces and torques to power nanoscale rotary motors and artificial muscles. The PI aims to elucidate the properties of self-assembled DNA systems in the crowded environment of a biological cell and to devise new methods to keep the DNA nanostructures functional in such an environment. New computational approaches for engineering matter at the nanoscale, enabling theoretical studies of systems that combine unfamiliar combinations of materials and physical interactions, will be developed in the course of the research. The research will advance understanding of the physics of assemblies that combine highly charged and hydrophobic objects, liquid flow in complex nanoscale structures, the effects of highly focused light on self-assembled DNA structures and the behavior of man-made systems inside biological cells. The methodological advances enabled through this project will be disseminated to the research community in the form of modules for well-used community software packages, including VMD, NAMD and ARBD; through self-study materials; and an annual hands-on workshop focused on modeling self-assembled nanostructures. The project outcomes will be integrated into graduate and undergraduate curricula in the form of topical modules that introduce microscopic simulations as a design and discovery tool and self-assembly as a new engineering paradigm. The project will engage K-12 students and their families through interactive demonstrations of scientific concepts and integration of research products into middle and high-school curricula.This award reflects NSF's statutory mission and has been deemed worthy of support through evaluation using the Foundation's intellectual merit and broader impacts review criteria.