EVALUATING RADIATION CHANGE IN NUCLEIC ACIDS

评估核酸的辐射变化

• 批准号: 7336109
• 负责人: Glake Alton Hill
• 金额: $ 1.58万
• 依托单位: JACKSON STATE UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-06-01 至 2007-05-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7336109
• 关键词: EVALUATING; RADIATION; CHANGE; NUCLEIC; ACIDS

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. The focus of this project is the effect of ionizing radiation on DNA structure and energetics. The results of an ab initio study of ionization of guanine-cytosine base pair are reported. Both the canonical GC base pair and the rare GC base pair, created by a double proton transfer are subject to the inclusion of an electron and the geometric and energetic changes were observed. These base pairs were allowed to optimized at the B3LYP level of theory utilizing five basis sets (6-31G(d), 6-311G(d), 6-311G(d,p), aug-cc-pVDZ, and DZP++). Both species showed considerable nonplanarity when the electron is attached. Futhermore, the electron affinities and relative energies show that the rare form may be favored under these conditions. This may suggest a new mechanism that DNA utilizes upon addition of an electron.

该子项目是利用 NIH/NCRR 资助的中心拨款提供的资源的众多研究子项目之一。子项目和研究者 (PI) 可能已从另一个 NIH 来源获得主要资金，因此可以在其他 CRISP 条目中得到体现。列出的机构是中心的机构，不一定是研究者的机构。该项目的重点是电离辐射对 DNA 结构和能量学的影响。报告了鸟嘌呤-胞嘧啶碱基对电离的从头开始研究的结果。通过双质子转移产生的经典 GC 碱基对和稀有 GC 碱基对都受到电子的包含，并且观察到几何和能量变化。这些碱基对可以利用五个基本组（6-31G(d)、6-311G(d)、6-311G(d,p)、aug-cc-pVDZ 和 DZP++）在​​ B3LYP 理论水平上进行优化。当电子附着时，两种物质都表现出相当大的非平面性。此外，电子亲和力和相对能量表明，在这些条件下，稀有形式可能受到青睐。这可能表明 DNA 在添加电子时利用了一种新机制。