MAGNETIC SUSCEPTIBILITY TENSORS OF PEPTIDES AND PROTEINS

肽和蛋白质的磁化率张量

• 批准号: 3296471
• 负责人: AKSEL A BOTHNER-BY
• 金额: $ 11.75万
• 依托单位: CARNEGIE-MELLON UNIVERSITY
• 依托单位国家: 美国
• 财政年份: 1988
• 资助国家: 美国
• 起止时间: 1988-02-01 至 1990-01-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/3296471
• 关键词: amides; chemical group; conformation; gramicidin; magnetic field; mathematical model; nuclear magnetic resonance spectroscopy; protein structure; solvents

Molecules with anisotropic magnetic susceptibilities are slightly aligned in solution when placed in a strong magnetic field. The degree of alignment can be determined by measuring the splittings in the high resolution NMR spectrum resulting from anisotropic nuclear interactions, such as electric quadrupole splittings or magnetic dipole splittings. The magnetic susceptibility tensor of the molecules can then be deduced from the degree of alignment. We propose to measure the susceptibility tensors for a variety of molecules containing atomic groupings occurring in peptides and proteins, and to compile a set of group tensors which can be added to predict the susceptibility tensor for any peptide in a given conformation. The set will be tested against peptides of known conformation and will then be applied to test the correctness of hypothesized structures for peptides or proteins of uncertain conformation.

具有各向异性磁化率的分子 当置于强磁场中时在溶液中排列。 的 对准程度可以通过测量 在高分辨率NMR光谱分裂产生的 各向异性核相互作用，如电四极 分裂或磁偶极子分裂。 磁 分子的磁化率张量可以由下式推导出来： 对齐的程度。 我们建议测量 磁化率张量的各种分子含有原子 分组发生在肽和蛋白质，并编译一套 群张量可以用来预测 在给定构象中任何肽的张量。 布景将是 针对已知构象的肽进行测试，然后 应用于测试假设结构的正确性， 构象不确定的肽或蛋白质。