DNA Near Surfaces in Saline Solution: Theory for Design

盐溶液中的 DNA 近表面：设计理论

• 批准号: 7024373
• 负责人: Bernard MONTGOMERY PETTITT
• 金额: $ 1.67万
• 依托单位: UNIVERSITY OF HOUSTON
• 依托单位国家: 美国
• 财政年份: 2004
• 资助国家: 美国
• 起止时间: 2004-04-01 至 2008-03-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7024373
• 关键词: DNA; Near; Surfaces; Saline; Solution

DESCRIPTION (provided by applicant): The goal of this project is to provide a molecular picture (theory) of DNA on surfaces in solution which is consistent with known thermodynamic and structural data. We will make detailed calculations with our new methods in an attempt to make the most direct possible comparisons with recent and planned thermodynamic, structural and biophysical experiments. We will consider the relation of thermodynamic solubilities, binding and allowed conformations of nucleotides to their solution environment and salt concentration. A key question is understanding the experimentally observed possibility of both increased affinity and increased selectivity near surfaces for certain surface/solution condition combinations. Using theoretical methods, we will quantify the balance between general solution effects (such as screening and solvation) and specific effects due to the surface and molecular association in solutions in determining the thermodynamics of DNA. A goal of this work is the development and application of new theoretical techniques to solve solvation/conformation related design problems of oligonucleotide covered surfaces. Test cases and applications have been chosen to maximize overlap with existing data or collaborations that will yield data of specific relevance to DNA analyses on surfaces.

描述（由申请人提供）：该项目的目标是提供与已知热力学和结构数据一致的溶液表面DNA的分子图像（理论）。我们将用我们的新方法进行详细的计算，试图与最近和计划中的热力学、结构和生物物理实验进行最直接的比较。我们将考虑核苷酸的热力学溶解度、结合和允许的构象与其溶液环境和盐浓度的关系。一个关键问题是理解实验观察到的某些表面/溶液条件组合在表面附近增加亲和力和增加选择性的可能性。使用理论方法，我们将量化一般溶液效应（如筛选和溶剂化）与溶液中由于表面和分子结合而产生的特定效应之间的平衡，以确定DNA的热力学。本工作的目标是开发和应用新的理论技术来解决寡核苷酸覆盖表面的溶剂化/构象相关设计问题。测试用例和应用程序的选择是为了最大限度地与现有数据或协作重叠，从而产生与表面DNA分析特定相关的数据。