Supramolecular and Covalent Polymer Nanostructures

9972048 StuppStrategies将探索创造合成的大分子，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上的化学图谱。 为此，提出实验来了解控制这些纳米结构形成的因素，例如吸引力与空间力、分子片段之间的刚性对比以及特定的分子相互作用。 使用氘代分子和动态光散射的NMR实验，该研究计划还将研究允许一些簇在纳米级聚合成稳定的共价聚合物的因素。 此外，将使用聚集分子以及手性分子的二元或三元组合物来研究具有形貌特征（例如腔、孔、扭曲或凹槽）的纳米结构的形成。 具体的策略之一将涉及杆和棒状线圈或棒状树枝状分子的混合物，其聚集但由于熵的原因而将大的片段排除到外围。 该策略的一部分将涉及使用化学或酶促可水解的分子片段形成穿刺腔，以及形成由一个以上纳米结构组成的复杂聚集体。 由于这些复杂聚集体中的预期尺寸，因此有更好的机会对聚集体几何形状和相组成进行成像。 与此同时，拟议的实验工作将与计算机模拟和遗传算法相结合，以识别可能倾向于自组装成所需结构的新分子。学习如何创建模仿蛋白质的形状定义结构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试剂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产生深远的影响，也会对人机界面的先进技术产生深远的影响。

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.