Cooperativity Driven Communication through Noncovalent Networks in Biomimetic Systems

在化学系大分子、超分子和纳米化学(MSN)计划的支持下，北卡罗来纳大学(UNC)教堂山分校的Marcey Waters教授将开发新的仿生模型系统，模拟蛋白质的复杂行为。这项研究旨在确定创造模拟蛋白质功能的新的刺激反应分子所必需的分子特征，包括捕捉/释放其他分子的分子开关，以及自组装成纳米球和纳米纤维。这项研究旨在更好地洞察蛋白质的功能，并为如何设计新的仿生“智能”材料提供指导。这项工作的更广泛的影响将包括对参与该项目的学生进行跨学科培训，以及对北卡罗来纳州大学系统中的少数族裔服务机构的外联计划，以在北卡罗来纳州建立一个网络，以促进对更高的化学学位的追求。许多蛋白质表现出刺激反应行为，如变构、构象信号、信号转导和复杂的蛋白质组装。这些行为是通过非共价网络的通信来完成的，但这种通信的分子机制尚不清楚。这项研究旨在为仿生自组装和信号转导的设计规则提供基本的见解，包括它们的分子和能量要求，以及正负协作性的作用。具体地说，沃特斯团队将研究自组装螺旋线圈纳米球和纤维中的序列-结构-组装关系。将开发一个人工信号级联，用于评估受挫在远距离结构重组中的贡献和信任者的反应行为。该奖项反映了NSF的法定使命，并通过使用基金会的智力优势和更广泛的影响审查标准进行评估，被认为值得支持。

With the support of the Macromolecular, Supramolecular and Nanochemistry (MSN) Program in the Division of Chemistry, Professor Marcey Waters of the University of North Carolina (UNC) at Chapel Hill will develop new biomimetic model systems that imitate the complex behavior of proteins. This research aims to determine the molecular features that are necessary to create new stimulus-responsive molecules that mimic protein function, including molecular on-off switches for capturing/releasing other molecules, as well as self-assembly into nanospheres and nanofibers. This research seeks to provide better insight into protein function and provide guidelines for how to design new biomimetic "smart" materials. The broader impacts of this work will include interdisciplinary training for the students working on the project, as well as an outreach program to minority serving institutions that are part of the UNC system to build a network within North Carolina to promote pursuit of higher degrees in chemistry.Many proteins exhibit stimulus responsive behavior, as in allostery, conformational signaling, signal transduction, and complex protein assembly. These behaviors are accomplished via communication through a noncovalent network, but the molecular mechanisms of such communication are poorly understood. This research aims to provide fundamental insights into the design rules for biomimetic self-assembly and signal transduction, including their molecular and energetic requirements, as well as the role of both positive and negative cooperativity. Specifically, the Waters group will investigate the sequence-structure-assembly relationships in self-assembling coiled coil nanospheres and fibrils. An artificial signaling cascade will be developed for evaluation of the contribution of frustration in long-distance structural reorganization and responsive behavior of foldamers.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.