DMREF: Collaborative Research - Programmable peptide-based hybrid materials

ID：MPS/DMR/BMAT(7623)1235084 PI：Pochan，Darrin ORG：DelawareID：MPS/DMR/BMAT(7623)1234161 PI：Saven，Jeffrey ORG：宾夕法尼亚大学标题：Dmref：协作研究-基于可编程多肽的杂交材料技术生物衍生的蛋白质和多肽聚集在一起，产生复杂的结构和功能(例如病毒)。相反，当使用合成大分子时，通常会产生简单得多的组装(例如球形胶束)。蛋白质和多肽结构的复杂性是可能的，因为它们(1)通用的杂多聚体化学(即氨基酸序列)，(2)定义的二级结构(即提供特定的局部形状以显示氨基酸功能的分子构象，如β-折叠、α-螺旋和其他旋转和卷曲)，(3)定义良好的分子内折叠构象(三级结构)，以及(4)通过多个多肽链的组装而形成有序的四级或分子间结构。在自然界中，通过仔细选择多肽中的氨基酸序列，就有可能建立新的复杂结构和功能。DMREF的这项工作将阐明设计非天然一维和二维多肽组件的基本原则和方法。这些设计的多肽的溶液组装将进行实验表征，并对其进行功能化处理，以实现多肽/金属纳米颗粒杂化材料。多肽组件设计的理论方法将在与实验研究的密切合作中得到应用和改进。多肽的化学多功能性将被用来探索和开发分层、多组分、热力学优先和/或动力学控制的溶液组装过程。多肽组件、结构中间体和最终材料的纳米级到微米级的全面表征将为理论和溶液处理的未来迭代提供信息。这些材料组装方法的发展将有助于实现创造健壮的溶液组装方法以生产具有可控颗粒间距和对称性的金属纳米颗粒阵列的技术目标。这一合作努力与材料基因组计划的目标平行。预测材料发现的概念和方法将在理论驱动的多肽设计的背景下开发，这些多肽组装成目标材料和纳米结构。研究和指导分子在溶液中组装的新实验方法将被改进，以监测多肽组装和构建具有分级复杂性的多肽/纳米材料。理论和实验的密切互动对于发展对这些材料的预测性理解是必不可少的。这样开发的概念和方法将加快基于多肽的新杂化材料的发现，利用多肽来指定金属纳米颗粒的排列和定位，具有各种潜在的应用，包括增强光伏电池中的光捕获。这项合作将为特拉华大学和宾夕法尼亚大学的本科生、研究生和博士后研究人员提供多肽生物材料设计、建模、制造和表征方面的多学科知识和专业知识。这项物理科学工作将与特拉华大学的跨学科人文研究中心进行协调。与环境人文项目相关的新闻学学生和教职员工将与DMREF科学团队合作。这一努力将产生：(1)在向公众传播科学以及描述科学和任何最终技术的影响方面得到更好培训的研究人员；(2)具有多学科研究经验的未来记者，他们善于将科学的细微差别和复杂性融入研究及其影响的讨论中。

ID: MPS/DMR/BMAT(7623) 1235084 PI: Pochan, Darrin ORG: University of DelawareID: MPS/DMR/BMAT(7623) 1234161 PI: Saven, Jeffrey ORG: University of PennsylvaniaTitle: DMREF: Collaborative Research - Programmable peptide-based hybrid materialsTECHNICALBiologically-derived proteins and peptides assemble to yield complex structures and functions (e.g. viruses). In contrast, much simpler assemblies typically result (e.g. spherical micelles) when synthetic macromolecules are employed. The sophistication of protein and peptide structures is possible because of their (1) versatile, heteropolymeric chemistry (i.e., amino acid sequences), (2) defined secondary structures (i.e. molecular conformations such as beta-sheets, alpha-helices, and other turns and coils) that provide for specific, local shapes to display amino-acid functionality,(3) well-defined, intramolecular, folded conformations (tertiary structure), and (4) well-ordered quaternary, or intermolecular, structure through the assembly of multiple polypeptide chains. As in nature, the potential exists to build new complex structures and functions via the careful choice of the sequence of amino acids in a polypeptide. This DMREF effort will elucidate fundamental principles and methods for the design of nonnatural one- and two-dimensional polypeptide assemblies. The solution assembly of these designed peptides will be characterized experimentally, and they will be functionalized to realize polypeptide/metal nanoparticle hybrid materials. Theoretical approaches for the design of polypeptide assemblies will be applied and refined in an intimate collaboration with experimental studies. The chemical versatility of peptides will be harnessed to explore and exploit solution assembly processes that are hierarchical, multicomponent, thermodynamically preferred and/or kinetically controlled. Comprehensive nanoscale- through-microscale characterization of the polypeptide assembly, structural intermediates, and final materials will inform future iterations of theory and solution processing. The development of these approaches to materials assembly will facilitate the technological goal of creating robust, solution-assembly methods to produce metal nanoparticle arrays with controlled interparticle spacing and symmetry.NON-TECHNICALThis collaborative effort parallels goals of the Materials Genome Initiative. Concepts and methods for predictive materials discovery will be developed in the context of theory-driven design of polypeptides that assemble into targeted materials and nanostructures. New experimental methods for studying and guiding molecular assembly in solution will be refined to monitor polypeptide assembly and to build polypeptide/nanoparticle materials with hierarchical complexity. The close interaction of theory and experiment is essential in the development of a predictive understanding of these materials. The concepts and methods so developed will speed the discovery of new polypeptide-based hybrid materials, and the use of the peptides to specify the arrangement and positioning of metal nanoparticles, has a variety of potential applications, including enhancement of light capture in photovoltaic cells. This collaboration will provide undergraduates, graduate students, and post-doctoral researchers at the University of Delaware and University of Pennsylvania with multidisciplinary knowledge and expertise in the design, modeling, fabrication, and characterization of peptide-based biomaterials. This physical science effort will coordinate with the Interdisciplinary Humanities Research Center at the University of Delaware. Journalism students and faculty associated with the environmental humanities program will work with the DMREF science team. This effort will produce: (1) researchers better trained in communicating science to the general public and in describing the impact of the science and any eventual technology, and (2) future journalists with experience in multidisciplinary research who are skilled in assimilating scientific nuance and complexity into discussions of the research and its impact.