The NMR spectroscopy analysis unit is associated with the Cancer Drug Development (CDD) research group but is located in the main building of DKFZ, Im Neuenheimer Feld 280. This is due to historical reasons as the unit was originally a Core Facility (Molecular Structural Analysis/Molekulare Strukturanalyse) developed and formally headed by Dr. William E. Hull (retired) for more than 25 years.
The present purpose of the unit is three-fold:
- provide NMR services to DKFZ researchers who require NMR analyses for their samples,
- participate in collaborative research, both with internal and external groups, and
- conduct independent research primarily concerned with NMR.
The types of analyses are quite varied though the vast majority encompass small organic molecules in typical solvents and conditions for structural analyses. In the main, the types of experiments run are generally what organic chemists encounter in their work: observation of 1H, 13C, 15N, 19F, 31P, 17O, 29Si, 195Pt, 2H, 6/7Li,... nuclei; 1D experiments such as DEPT, selective COSY, TOCSY, NOESY, ROESY,... ; 2D experiments such as COSY, TOCSY, NOESY, ROESY, HSQC, HSQC-TOCSY, HMBC,... ; other experiments such as variable temperature, 3D and multidimensional, diffusion, microimaging, relaxation time measurements, etc. are of course available.
Persons interested in various aspects - NMR services (routine analysis, direct access), collaboration, etc. - are welcome to discuss their needs with Dr. Karel Klika.
- the classic DEPT spectrum
- the indispensible COSY spectrum
Characterization of the molecular structure or sample constitution is an important aspect of chemical research and can be supremely accomplished by NMR. Routine service or direct access for DKFZ researchers - and others by prior consultation - is available for the examination of a wide range of samples, though typical analyses are mostly concerned with small organic molecules by way of standard experiments (routine 1D and 2D experiments) for a selection of nuclei (1H, 13C, 19F, 15N, etc.). Information on the NMR sevice and the submission of samples is available here.
The unit has two highly equipped and functional instruments, a 600 MHz NMR spectrometer and a 400 MHz NMR spectrometer. The latest experiments are available on both instruments utilizing adiabatic and soft-shaped pulses and field gradient technology. Information on the equipment is available here.
Research is conducted both within the group itself and in conjunction with collaborators consisting of both internal DKFZ researchers as well as external groups. Information on the research conducted is available here.
- The machines are open access though at present no booking system is in place and NMR time is booked in consultation with Dr. Karel Klika. A listing of common commands and macros for our instruments is available here. Users can also be present whilst the spectra are acquired if they like, this too should be arranged with either Dr. Karel Klika or Gabi Schwebel as appropriate. To make use of the NMR service, researchers need only fill a requistion form (non-DKFZ researchers should consult with Dr. Karel Klika first).
- We have available some equipment that we no longer have use for (e.g. probes from decommissioned instruments) that we will gladly sell or otherwise be disposing of. A list of this equipment will soon be available here.
- For notes on what to do when experiencing difficulties with spinning a sample, see here.
- For a neat design of a simple and robust NMR-tube cleaner, see here.
Publications arising from the past three years can be viewed here.
Presently, there are no DKFZ-funded positions available for NMR work but opportunities for visiting/exchange scholars can be arranged. General enquiries are welcomed and should be directed to Dr. Karel Klika. All areas of research are possible but current areas of particular interest include natural products, small molecule structure, stereochemical and chirality studies, protein–ligand interactions, and applications of NMR (especially in conjunction with molecular modeling). Of special interest are researchers wishing to combine practical NMR with other work, e.g. natural products isolation, organic synthesis, protein-ligand (biological) interactions etc. Full training - interpretative as well as practical - can be provided.
- the all-important HSQC spectrum
- the 1D NOESY spectrum
