Collaborative Research: Molecular Modeling and Experimental Investigation of Structure and Dynamics of Confined Ionic Liquids and Their Mixtures with Gases

合作研究：限域离子液体及其与气体混合物的结构和动力学的分子模拟和实验研究

• 批准号: 0967458
• 负责人: Edward Maginn
• 金额: $ 24.73万
• 依托单位: University of Notre Dame
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-07-01 至 2014-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0967458&HistoricalAwards=false
• 关键词: Collaborative; Research; Molecular; Modeling; Experimental

0967458MaginnIntellectual MeritThe objective of this proposal is to elucidate the fundamental aspects of self assembly and pattern formation of well defined sheet forming peptides confined at interfaces. Our approach involves three steps. (1) It is proposed to design and synthesize simple periodic peptide sequences, yielding surface active â strands that self organize into aggregates to form patterns as a function of the peptide sequence. Rational peptide design allows us to systematically explore the role of hydrophobicity, electrostatics and molecular size on pattern formation. (2) ) It is proposed to directly address the assembly phenomena using a set of interfacial characterization tools. Multiple length scales can be examined, including molecular length scales, using CD and ATR-FTIR, and at supramolecular length scales, using brewster angle microscopy, fluorescence microscopy and ellipsometry. (3) It is proposed to use two dimensional equations of state that define both the phase behavior and the critical surface concentrations of nascent aggregates at the interface. Subsequently, we can apply these parameters to predict the dimensions of pattern formation.Broader ImpactRationally designed peptides and polypeptides are rapidly becoming useful components in nanostructured materials for applications ranging from drug delivery to energy storage. If successful, the PIs believe that the proposed research will yield fundamental understanding of biomolecular assembly under confinement, and these ideas can be directly applied in hybrid materials design.CCNY's mission is to provide quality undergraduate and graduate education in a broad range of fields to a highly diverse student body, which is 34% Hispanic, 24% black, 17% Asian and 11% white, classifying our college as a Minority Serving Institution. The PI is dedicated to this mandate that asks for a multiplicity of subject matters to be taught to students of varying backgrounds without sacrificing quality of research or education. In addition to graduate training, undergraduate and high school research support for this work will be coordinated through two mechanisms. (1) NSF has funded NUE, REU and PREM programs at CCNY to provide research experiences for both undergraduate and high school students. (2) The PI has led the CCNY-HSMSE Peer-Learning Program for the last three years. This program provides an opportunity for undergraduates and high school students to engage in engineering and science in the classroom and lab. The PIs have successfully developed this mechanism that allows undergraduate and high school students to explore fundamental engineering and science questions in an engaging setting where peer learning results in common ground to enhance the learning experience.

0967458MAGINNINTELLECTUAL优点该提案的目的是阐明自组装的基本方面以及定义明确的纸片形成限制在接口处的肽的图案。我们的方法涉及三个步骤。 （1）提议设计和合成简单的周期性肽序列，产生自我组织为聚集体的表面活性链以形成模式，这是肽序列的函数。有理肽的设计使我们能够系统地探索疏水性，静电和分子大小对图案形成的作用。 （2））建议使用一组界面表征工具直接解决装配现象。可以使用CD和ATR-FTIR检查多个长度尺度，包括分子长度尺度，以及在超分子长度尺度上，使用BREWSTER角度显微镜，荧光显微镜和椭圆法。 （3）建议使用二维状态方程，以定义界面处的新生聚集体的相位行为和临界表面浓度。随后，我们可以应用这些参数来预测模式形成的尺寸。Broader设计的petides和多肽迅速成为纳米结构材料中有用的组件，用于从药物递送到储能。 If successful, the PIs believe that the proposed research Will yield fundamental understanding of biomolecular assembly under confinement, and these ideas can be directly applied in hybrid materials design.CCNY's mission is to provide quality undergraduate and graduate education in a broad range of fields to a highly diverse student body, which is 34% Hispanic, 24% black, 17% Asian and 11% white, classifying our college as a Minority Serving Institution. PI致力于这项任务，要求在不牺牲研究或教育质量的情况下向具有不同背景的学生传授多种主题。除了研究生培训外，还将通过两种机制协调这项工作的本科和高中研究支持。 （1）NSF已为CCNY的NUE，REU和PERM计划提供资金，为本科生和高中生提供研究经验。 （2）PI在过去三年中领导了CCNY-HSMSE同行学习计划。该计划为大学生和高中生提供了一个机会，可以在课堂和实验室从事工程和科学。 PI成功地开发了这种机制，该机制使本科生和高中生可以在引人入胜的环境中探索基本的工程和科学问题，在这种环境中，同伴学习会导致共同的基础以增强学习经验。