Combinatorial Multiscale Modeling and Simulation of DNA/Surface Interactions for Improved Microarray Design

用于改进微阵列设计的 DNA/表面相互作用的组合多尺度建模和模拟

• 批准号: 0828433
• 负责人: Thomas Knotts
• 金额: $ 40.12万
• 依托单位: Brigham Young University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2008
• 资助国家: 美国
• 起止时间: 2008-09-01 至 2012-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0828433&HistoricalAwards=false
• 关键词: Combinatorial; Multiscale; Modeling; Simulation; DNA

CBET-0828433KnottsIntellectual Merit. The primary goal of this work is to develop an improved fundamental understanding of the transport mechanisms in porous ceramic based proton exchange membranes (PEMs). The performance of several types of fuel cells is limited by PEM performance, which has lead to a plethora of efforts to develop novel, high performance PEM materials. Standard materials used for such applications today are sulfonated perfluorcarbon polymers such as Nafion® whose greatest drawbacks include their poor performance at high temperatures (_80°C) and/or when not well hydrated. Inorganic solid acids, including some nanoporous ceramic materials, are among the novel membrane materials reported in the literature and have been demonstrated in the PI's lab to have greater proton conductivity and reduced fuel crossover flux as compared to Nafion®. It is expected that proton transport in such materials proceeds through both a bulk mechanism in the pores and a surface mechanism along the pore surfaces, with the relative importance of each dependent strongly on membrane properties such as surface area and surface acidity as well as environmental parameters such as pH and temperature. This work will systematically investigate the dependence of transport behavior in PEMS fabricated from modified porous alumina on such key variables. Physical and chemical characterization of the membranes will inform input files for molecular dynamics based simulations. Results of these simulations will be coupled with experimental measurements of transport behavior, primarily from impedance spectroscopy, to develop continuum and equivalent circuit models and determine relevant transport parameters such as diffusivities. Broader Impacts. The proposed work will train graduate students in interdisciplinary research at the interface of two areas widely identified to be of critical importance to the United States: fuel cells and nanotechnology. While the immediate application of this work is to the development of PEM fuel cells for applications ranging from battery replacements for portable electronics to automotive engines, it will also impact a variety of sensor technologies which rely on ion conducting membranes. This project will also involve undergraduate students from both Louisiana Tech University and Grambling State University (GSU) through one of the PIs who has a joint appointment between the two universities. The a high percentage of African-American students for a non-HBCU (~15% of enrollment) at Louisiana Tech and at GSU, an HBCU, combined with concerted outreach efforts ensure that this project will have a significant impact on underrepresented minority groups in engineering and science in addition to enhancing partnerships between Louisiana Tech and Grambling. Additionally, the inclusion of undergraduate students in research activities will encourage these students to attend graduate school. This work will be performed in Louisiana, an EPSCOR state, impacting geographic diversity in scientific research. The PIs along with participating graduate and undergraduate students will present results from this project at national conferences in addition to participating in an ongoing nanotechnology seminar series at Louisiana Tech. These activities will serve both to disseminate results to a wide audience while also providing the students extremely valuable learning experiences and exposure, particularly for undergraduate students.

生态旅游- 0828433 knottsintellectual优点。本研究的主要目的是对多孔陶瓷基质子交换膜（PEMs）的输运机制有更深入的了解。几种类型的燃料电池的性能受到PEM性能的限制，这导致了开发新型高性能PEM材料的大量努力。目前用于此类应用的标准材料是磺化全氟碳聚合物，如Nafion®，其最大的缺点包括在高温（_80°C）和/或未充分水合时性能不佳。无机固体酸，包括一些纳米多孔陶瓷材料，是文献中报道的新型膜材料之一，并且在PI的实验室中被证明与Nafion®相比具有更高的质子导电性和更低的燃料交叉通量。预计质子在这些材料中的传输既通过孔隙中的体积机制进行，也通过孔表面的表面机制进行，两者的相对重要性强烈依赖于膜特性，如表面积和表面酸度，以及环境参数，如pH和温度。这项工作将系统地研究由改性多孔氧化铝制备的PEMS中输运行为对这些关键变量的依赖。膜的物理和化学特性将为基于分子动力学模拟的输入文件提供信息。这些模拟结果将与输运行为的实验测量相结合，主要来自阻抗谱，以建立连续介质和等效电路模型，并确定相关的输运参数，如扩散系数。更广泛的影响。这项提议的工作将在燃料电池和纳米技术这两个被广泛认为对美国至关重要的领域的交叉领域培养研究生。虽然这项工作的直接应用是PEM燃料电池的开发，其应用范围从便携式电子设备的电池替代品到汽车发动机，但它也将影响各种依赖离子导电膜的传感器技术。该项目还将涉及路易斯安那理工大学和格兰布林州立大学（GSU）的本科生，通过两所大学联合任命的一位pi。在路易斯安那理工大学和GSU，非HBCU的非裔美国学生比例很高（约占入学人数的15%），加上协调一致的外展努力，确保该项目除了加强路易斯安那理工大学和格兰布林之间的合作关系外，还将对工程和科学领域代表性不足的少数群体产生重大影响。此外，将本科生纳入研究活动将鼓励这些学生参加研究生院。这项工作将在EPSCOR州路易斯安那州进行，影响科学研究的地理多样性。除了参加路易斯安那理工学院正在进行的纳米技术系列研讨会外，pi和参与的研究生和本科生将在国家会议上展示该项目的成果。这些活动将向广泛的受众传播结果，同时也为学生提供极有价值的学习经验和机会，特别是对本科生。