INTEGRATED SOLID-STATE/SOLUTION NMR STUDY OF DNA

建议使用固态和溶液核磁共振相结合的方法 光谱学研究DNA和DNA的结构和动力学 药物和其他与DNA结合的试剂。最近有证据表明， DNA中脱氧核糖环构象的测定方法 低聚物可能容易受到量子力学产生的误差的影响 偶极交叉驰豫和J耦合之间的干扰。这 J耦合通过Karplus方程被用来确定 构象。提出了一种新的数学形式主义，以允许 这些干扰效应的计算。一系列的实验是 建议评估由以下原因引起的错误的严重性 忽略这一术语；正确提取J联轴器和 将开发交叉松弛速率常数。固态核磁共振 对DNA纤维和模型化合物的实验，最初给出了 不一致的结果表明这种干扰的存在 学期，将继续，重点是观察药物与 合成高分子量的DNA高聚物。

It is proposed to use a combination of solid-state and solution NMR spectroscopy to investigate the structure and dynamics of DNA and of drugs and other agents bound to DNA. It has recently been shown that the methods for determining the conformation of the deoxyribose ring in DNA oligomers may be susceptible to errors arising from quantum-mechanical interference between dipolar cross-relaxation and the J coupling. This J coupling is used, via the Karplus equation, to determine the conformation. A new mathematical formalism is proposed to allow calculation of these interference effects. A series of experiments is proposed to evaluate the seriousness of the errors resulting from a neglect of this term; methods for correct extraction of J couplings and cross-relaxation rate constants will be developed. Solid-state NMR experiments on DNA fibers and model compounds, which originally gave the discrepant results which pointed out the existence of this interference term, will be continued, with an emphasis on observing drug binding to synthetic DNA high polymers of high molecular weight.