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.

0967458Maginn智力优点该提案的目的是阐明限制在界面处的明确片状形成肽的自组装和图案形成的基本方面，我们的方法涉及三个步骤（1）建议设计和合成简单的周期性肽序列，产生。表面活性 â 自组织成聚集体以形成肽序列功能的模式合理的肽设计使我们能够系统地探索疏水性的作用， (2) ) 建议使用一套界面表征工具直接解决组装现象，包括分子长度尺度，使用 CD 和 ATR-FTIR。超分子长度尺度，使用布鲁斯特角显微镜、荧光显微镜和椭圆光度法 (3) 建议使用二维状态方程来定义新生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。 更广泛的影响 PI 相信，如果成功的话，合理设计的肽和多肽将迅速成为纳米结构材料中的有用成分，其应用范围包括从药物输送到能量存储。所提出的研究将产生对限制下生物分子组装的基本理解，并且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提供高质量的本科生和研究生教育多元化的学生群体，其中 34% 是西班牙裔、24% 是黑人、17% 是亚裔、11% 是白人，因此我们的学院被归类为少数族裔服务机构。 PI 致力于履行这项要求教授多种科目的任务。在不牺牲研究或教育质量的情况下，为不同背景的学生提供支持 除了研究生培训外，还将通过两种机制协调本科生和高中的研究支持 (1) NSF 资助 NUE、REU 和 PREM。 CCNY 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 同伴学习项目 该项目为本科生和高中生提供了参与研究的机会。 PI 成功开发了这种机制，使本科生和高中生能够在一个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，同伴学习可以产生共同点，从而增强学习体验。