Structure-activity-relationships of biologically or catalytically active species from the determination of the 3D structure by NMR

Emmy Noether初级研究小组的重点在于通过NMR光谱（在定向介质中）确定有机化合物和生物活性物质的3D结构。关于溶液构象和相对构型的信息通常从3J耦合的角度依赖性和NOE的距离依赖性获得。在过去的八年中，一个额外的NMR参数，剩余偶极耦合（RDC），被引入。然而，迄今为止，很少应用于构象灵活的化合物和绝对构型的测定。这些方面以及必要的方法学发展（在对齐介质，灵活性的治疗和绝对配置的确定方面）将在这个初级研究小组中涵盖。

The focus of the Emmy Noether junior research group lies on the determination of the 3D structure of organic compounds and biologically active species by NMR spectroscopy (in orienting media). Information on the solution conformation and relative configuration is usually obtained from the angular dependence of 3J couplings and the distance dependence of the NOE. During the last eight years an additional NMR parameter, the residual dipolar coupling (RDC), was introduced. There are, however, hitherto very few applications on conformationally flexible compounds and on the determination of the absolute configuration. These aspects as well as the necessary methodological developments (in terms of alignment media, treatment of flexibility and determination of absolute configuration) will be covered within this junior research group.