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.

本提案的目的是阐明自组装和模式形成的基本方面的定义良好的片状形成肽限制在界面。我们的方法包括三个步骤。(1)提出设计和合成简单的周期性肽序列，产生表面活性的<s:2>链，这些链自组织成聚集体，并作为肽序列的函数形成图案。合理的肽设计使我们能够系统地探索疏水性、静电性和分子大小对模式形成的作用。(2)建议使用一套界面表征工具直接解决组装现象。可以检测多个长度尺度，包括分子长度尺度，使用CD和ATR-FTIR，以及超分子长度尺度，使用布鲁斯特角显微镜，荧光显微镜和椭偏仪。(3)提出使用二维状态方程来定义界面处新生聚集体的相行为和临界表面浓度。随后，我们可以应用这些参数来预测图案形成的尺寸。影响设计的多肽和多肽正迅速成为纳米结构材料的有用成分，应用范围从药物输送到能量储存。如果成功的话，pi相信，所提出的研究将产生对约束下生物分子组装的基本理解，这些想法可以直接应用于混合材料设计。CCNY的使命是在广泛的领域为高度多样化的学生群体提供高质量的本科和研究生教育，其中34%的西班牙裔，24%的黑人，17%的亚洲人和11%的白人，将我们的学院归类为少数民族服务机构。PI致力于这一任务，要求在不牺牲研究或教育质量的情况下，向不同背景的学生教授多种主题。除了研究生培养外，本工作的本科和高中研究支持将通过两种机制进行协调。(1) NSF资助了CCNY的NUE， REU和PREM项目，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。这个项目为本科生和高中生提供了一个在课堂和实验室中从事工程和科学的机会。pi已经成功地开发了这种机制，允许本科生和高中生在一个有吸引力的环境中探索基本的工程和科学问题，在这种环境中，同伴学习产生共同的基础，以增强学习体验。