Conformation, Hydration, Metal Ion Interactions and Aggregation States of Peptides, Proteins and Oligonucleotides

肽、蛋白质和寡核苷酸的构象、水合、金属离子相互作用和聚集状态

• 批准号: 0503728
• 负责人: Michael Bowers
• 金额: $ 63.29万
• 依托单位: University of California-Santa Barbara
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2005
• 资助国家: 美国
• 起止时间: 2005-07-01 至 2009-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0503728&HistoricalAwards=false
• 关键词: Conformation; Hydration; Metal; Ion; Interactions

Michael Bowers of the University of California at Santa Barbara is supported by the Experimental Physical Chemistry Program to examine molecules and systems of biological importance, using mass spectrometric methods. Work will focus on the following specific areas: (1) duplex formation in oligonucleotides, (2) solvation energies, entropies, and diagnostics, and (3) structure and energetics of metal ion binding to nucleotides, peptides, and proteins. Ion-mobility-based mass spectrometry will be used for structural (cross-section) measurements and ion-neutral equilibrium methods for hydration studies. High-level electronic structure calculations and/or molecular dynamics calculations will accompany experiment in all cases. This project presents the opportunity to make significant inroads toward developing new ways to solve biological problems using mass spectrometry. For example, outcomes could help unravel fundamental and practical issues such as water molecule binding to biomolecules. Students and postdoctoral associates will have valuable research education opportunities in both experiments and theory, and they will participate in designing new forefront technical methodologies.

位于圣巴巴拉的加州大学的Michael Bowers在实验物理化学计划的支持下，使用质谱方法检查具有生物重要性的分子和系统。 工作将集中在以下特定领域：（1）寡核苷酸中的双链体形成，（2）溶剂化能，熵和诊断，以及（3）金属离子与核苷酸，肽和蛋白质结合的结构和能量学。 基于离子迁移率的质谱法将用于结构（横截面）测量，离子中性平衡法将用于水合作用研究。 在所有情况下，高水平的电子结构计算和/或分子动力学计算将伴随实验。 该项目提供了一个机会，使开发新的方法来解决使用质谱生物学问题的重大进展。例如，这些成果可以帮助解决基本和实际问题，例如水分子与生物分子的结合。 学生和博士后将在实验和理论方面获得宝贵的研究教育机会，他们将参与设计新的前沿技术方法。