METAL ION COMPLEXATION

本研究的目的是定量测定 三价镧系元素的配位和络合性质 阳离子，以及随后将这些信息应用于研究 这些离子与生理上重要的配体。镧系元素 广泛用作确定相互作用位点的结合剂 生物配体，作为金属酶和其他 需要金属离子活性的系统，作为松弛剂， 磁共振成像，作为NMR化学位移试剂，以及作为 许多工业过程中的组件。要求的资料 建议的实验包括在我们的最大配位数 测量条件;测定的变化，如果有， 该值通过镧系元素;内壳层的存在 络合及其对阴离子和溶剂性质的依赖性; 竞争性溶剂化及其对配体性质的依赖性; 所有情况下，物种结构的定量测定 在溶液中。这一信息将为 四种主要脱氧核苷酸及其配位研究 组分分子作为配体的初始基团。 使用的实验技术允许直接观察 初级阳离子溶剂化壳层组分的NMR信号， 特别是溶剂配体、离子，并且在一些系统中， 反磁性金属离子本身。反过来，这些观察导致了 镧系元素配位性质的定量评价 上面提到的。测量将使用Bruker AM-400 多核超导傅里叶变换核磁共振波谱仪 根据盐和溶剂系统，化学位移、面积和 应用的线宽技术将涉及1H，13 C，15 N，31 P， 35 Cl、81 Br、127 I和抗磁性金属离子核。

The objectives of this research are the quantitative determination of the coordination and complexing properties of the trivalent lanthanide cations, and the subsequent application of this information to the study of these ions with ligands of physiological importance. The lanthanides are used extensively as binding agents for interaction site determinations of biological ligands, as probe substituents in metalloenzymes and other systems requiring a metal-ion for activity, as relaxation agents in magnetic resonance imaging, as NMR chemical shift reagents, and as components in numerous industrial processes. The information sought by the proposed experiments includes the maximum coordination number at our conditions of measurement; the determination of variations, if any, of this value through the lanthanide series; the presence of inner-shell complexing and its dependence on anion and solvent properties; the extent of competitive solvation and its dependence on ligand properties; and in all cases, the quantitative determination of the structures of the species in solution. This information will provide a solid framework for the coordination study of four principal deoxyribonucleotides and their component molecules as an initial group of ligands. The experimental techniques to be used permit the direct observation of NMR signals for the components of the primary cation solvation shell, specifically solvent ligands, an ions, and in some systems, the diamagnetic metal-ion itself. In turn, these observations lead to the quantitative evaluation of the lanthanide coordination properties mentioned above. The measurements will be made using a Bruker AM-400 multinuclear, superconducting, Fourier transform NMR spectrometer. Depending on the salt and solvent system, the chemical shift, area, and linewidth techniques to be applied will involve the 1H, 13C, 15N, 31P, 35Cl, 81Br, 127I, and diamagnetic metal-ion nuclei where possible.