Struktur-Aktivitäts-Beziehungen von biologisch oder katalytisch aktiven Spezies aus der durch NMR bestimmten 3D-Struktur

• Antragstellerin: Professorin Dr. Christina Marie Thiele
• Fachliche Zuordnung: Analytische Chemie
• Förderung: Förderung von 2011 bis 2016
• Projektkennung: Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 44192252

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.

• DFG-Verfahren: Forschungsgruppen
• Teilprojekt zu: FOR 934: Relative and absolute configurations of dissolved molecules by NMR-spectroscopy in orienting media