Segregation in Multicomponent Macromolecular Systems

该奖项是根据2009年美国复苏和再投资法案（公法111-5）资助的。该奖项支持理论研究，将研究纤维和带电荷单元的自组装凝胶中的图案形成以及竞争相互作用。具有自吸引相互作用的带电链凝胶中的纳米模式也将被分析。将开发模型来分析包含带电离子位点的大分子组件的结构和热力学。这项工作的一个长期目标是提高我们对生物分子和其他异质带电大分子如何组装成强大功能结构的理解，这种理解可以帮助我们学习制造新的仿生结构。静电自组装存在于许多技术和生物过程中。例如，带有强电荷链的核酸与由可调节电荷度的单元组成的蛋白质之间的相互作用，会产生强烈依赖于离子浓度的自我修复的异质纳米结构。该基金支持的工作将分析由聚集在纤维上的分子形成的带电纳米模式的对称性，包括手性，作为盐浓度和pH值的函数，以及在主链自吸引存在下带电凝胶中的纳米模式。使用粗粒度模型的分析和数值计算将与中尺度模拟和实验结果进行比较。这项工作将为设计复杂的网络提供指导，包括dna混合传感器，通过高度合作的离子现象。该基金还将支持教育目标，这些目标将促进有能力为社会解决具有挑战性和相关性问题的科学家的发展。该组织参与当地高中水平的教育项目，并与美国和墨西哥的西班牙裔教授交流。PI是国家纳米科学与工程学习与教学中心领导委员会的成员，她参与了网络课程的设计，并为初中和高中制定了教学路线图。仿生功能材料是为了模拟生物分子和大分子而设计的，在发展新技术方面具有重要意义。该奖项支持的研究将开发理论方法来模拟含有异质分子的多组分离子溶液的结构和热力学行为。这项资助支持的方法将为设计具有独特性能的水凝胶提供指导，并帮助设计用于特定应用的执行器和传感器。该奖项还将支持教育目标，这些目标将促进能够为社会解决具有挑战性和相关问题的科学家的发展。该组织参与当地高中水平的教育项目，并与美国和墨西哥的西班牙裔教授交流。PI是国家纳米科学与工程学习与教学中心领导委员会的成员，她参与了网络课程的设计，并为初中和高中制定了教学路线图。

This award is funded under the American Recovery and Reinvestment Act of 2009 (Public Law 111-5). TECHNICAL SUMMARYThis award supports theoretical research that will study pattern formation in fibers and in self-assembled gels with charged units and with competing interactions. Nanopatterns in gels of charged chains with self-attracting interactions will also be analyszed. Models will be developed to analyze the structure and thermodynamics of macromolecular assemblies which include charged ionic sites. A long-range goal of this work is improving our understanding of how biomolecules and other heterogeneous charged macromolecules assemble into robust functional structures, and this understanding can help us learn to fabricate novel biomimetic structures.Electrostatics self-assembly occurs in many technological and biological processes. The interaction of nucleic acids, which are strongly charged chains, with proteins composed of units with tunable degrees of charge, for example, generates self-healing heterogeneous nanostructures which are strongly dependent on ionic concentrations. Work supported by this grant will analyze the symmetry, including chirality, of charged nanopatterns formed by molecules assembled onto fibers as a function of salt concentration and pH value, and nanopatterns in charged gels in the presence of backbone self-attractions. Analytic and numerical calculations using coarse grained models will be compared with results from mesoscale simulations and to experiments. This work will provide guidelines to design complex networks, including DNA-hybrid sensors, via highly cooperative ionic phenomena.The grant will also support educational goals that will promote the development of scientists capable of solving challenging and relevant problems for society. The group participates in local educational programs at the high school level, as well as interacting with Hispanic professors in the US and Mexico. The PI is a member of the leadership council of the National Center for Learning and Teaching in Nano Science and Engineering where she participates in designing courses for the web and developing teaching road maps for middle schools and high schools.NONTECHNICAL SUMMARYBiomimetic functional materials are designed to mimic the biological molecules and macromolecules, and are of great importance in developing new technologies. This award supports research that will develop theoretical methods for modeling the structural and thermodynamic behavior of multicomponent ionic solutions containing heterogeneous molecules. The methods supported by this grant will provide guidelines for designing hydrogels with unique properties, and aid in the design of actuators and sensors for specific applications. The award will also support educational goals that will promote the development of scientists capable of solving challenging and relevant problems for society. The group participates in local educational programs at the high school level, as well as interacting with Hispanic professors in the US and Mexico. The PI is a member of the leadership council of the National Center for Learning and Teaching in Nano Science and Engineering where she participates in designing courses for the web and developing teaching road maps for middle schools and high schools.