Laboratory Supervisor/ NMR Facility Manager
Phone: 414-288-4490
E-mail: sheng.cai@marquette.edu
NMR Facility at Marquette
Located in the basement of Todd Wehr Chemistry building, the NMR facility own three state-of-the-art instruments: Mercury-300, NMR System-400 and NMR System-600.
(1) Varian Mercury-300
Mercury-300 is mainly used by organic chemists for simple 1D 1H and 13C experiments. It is reliable and easy to use. It is also equipped with a sample changer for automation.
(2) NMR System-400
This brand new spectrometer was purchased recently for more advanced NMR experiments. It features:
- Advanced NMR experiments: multinuclei (such as 11B, 2H, 15N, 57Fe, etc) experiments, normal multi-dimensional experiments, variable temperature (+100°C to -90°C) capability, diffusion and DOSY, etc
- A micro-flow probe for fast and automatic screening hundreds of samples. It is ideal for drug-screening, large-scale characterization of target-ligand interactions, and quality control of chemical/combinational libraries. Another advantage of this probe is that only 10 ul sample is needed each time.
- An inverse probe for higher 1H sensitivity
- Microimaging capability
(3) NMR System-600 with a cryoprobe
This powerful instrument is also a brand new system. Equipped with a 1H/13C/15N cryoprobe, it is designed for biomolecular NMR experiments. Other experiments can also benefit from the high sensitivity of the cryoprobe. This instrument also equipped with a room temperature three-channel tunable probe. The third channel is tunable to other nuclei (such as 11B, 2H, 15N, 57Fe, etc).
Chemical Proteomics Facility at Marquette (CPFM)
The NMR facility is a part of the Chemical Proteomics Facility at Marquette (CPFM).
The mission of CPFM is to enable the structural characterization of protein-ligand interactions in a broad (proteome-wide) manner. The purpose of such studies is to extract maximum value from recently available genomic information. To accomplish this goal, NMR, computational and related resources are being made available.
Computational Resources
Computational resources in CPFM include Sun and SGI workstations and access to a Beowolf cluster. On-site software is available, including:
- Pipeline Pilot: Chemoinformatics analysis
- DOCK and Autodock: docking calculations
- MODELLER: homology modeling
- XEASY, nmrPipe, nmrDraw, Sparky, nmrView: NMR spectrum processing and visualization softwares
- DYANA: structure calculations of proteins and other macromolecules
- GRASP, VMD and MOLMOL: protein structure visualization
- GAUSSIAN: ab-initio and DFT calculations of structures, chemical shifts, etc of molecules
NMR time reservation on 600 is online. Please fill out this form for reservations.
Klingler College of Arts & Sciences
