Supramolecular and Covalent Polymer Nanostructures

9972048StuppStrategies将探索创造合成大分子，共价或超分子，类似于折叠的蛋白质，因为它们锁定在特定的形状和表面的化学图谱上。为此，研究人员建议通过实验来了解控制这些纳米结构形成的因素，例如，引力与位向力、分子段之间的刚性对比以及特定的分子相互作用。利用氘化分子的核磁共振实验和动态光散射，该研究项目还将研究允许一些簇在纳米尺度上聚合成稳定共价聚合物的因素。此外，将使用聚集分子的二元或三元组合物以及手性分子来研究具有诸如空腔、孔隙、扭曲或凹槽等地形特征的纳米结构的形成。一种具体的策略将涉及棒状和棒状螺旋状或棒状树突分子的混合，这些分子聚集在一起，但由于熵的原因，将大块的部分排除在外围。该策略的一部分将涉及使用化学或酶水解的分子片段形成穿孔腔，以及由多个纳米结构组成的复杂聚集体的形成。由于这些复杂聚合体的预期尺寸，因此有更好的机会对聚合体的几何形状和相组成进行成像。同时，提出的实验工作将辅以计算机模拟和遗传算法，以识别可能倾向于自组装成所需结构的新分子。学习如何创建形状定义的结构来模仿蛋白质，可能会导致发现类似于生物学中发现的高功能合成结构。这些可能性包括作为具有传感能力或由于与环境中的介质接触而具有传递信息能力的材料的大分子结构。这种新型材料可能会对医学和高度先进的人机界面技术产生深远影响。

9972048StuppStrategies 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.