Experimental and Computational Studies of Ligated 3D DNA Crystals

点击翻译按钮获取中文摘要

This grant will focus on understanding fundamental physical properties of DNA crystals. DNA is one of the most essential components of life as it carries genetic information. Recent scientific advances have shown that DNA may be used as a versatile engineering building block. Based on sequence complementarity, DNA molecules can spontaneously self-assemble to form complex structures, which can be programmed by computer-aided designs. This approach has been exploited to create functional architectures with sub-nanometer precision and exquisite programmability. Despite the exciting potential, DNA self-assembly has been limited to very small lengthscales, mostly 100 nm or less. Large DNA constructs often become unwanted aggregates or suffer from instability. This research will investigate structural properties and mechanical behaviors of DNA materials, in order to develop guiding principles for creating macroscopic DNA constructs. The effort will combine advanced experimental measurements with modeling and computational capabilities to understand the fundamental relationship between the design parameters, assembled structures, and physical properties. This research will also be complemented by an educational and outreach program to advance the public understanding of biomolecular nanotechnology. Activities include (i) research-based engineering education for undergraduate students and (ii) development of a hands-on module for K-12 students that illustrates the principles of DNA self-assembly.The central goal of the research is to study structural mechanics of three-dimensional (3D) architectures from DNA. The team recently discovered a route to assemble triangular DNA unit motifs into a macroscopic crystal which can be further strengthened via enzymatic ligation. This project will use ligated 3D crystals as a model system. The research objectives include: (1) development of layered 3D crystals from DNA, (2) understanding of design and synthesis parameters, (3) characterization of self-assembled structures, and (4) elucidation of the structure-property relationship. The results from state-of-the-art nanoindentation experiments will be complemented by theoretical modeling and molecular dynamics simulations to gain insights on the crystallinity, elasticity, and deformation behaviors. The fundamental knowledge from this study will lay the foundations for the synthesis of macroscopic 3D DNA materials with structural stability, controllability, and complexity.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.