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Bruker Avance III HD 500 MHz NMR Solution & Solid State

(Capable of performing both solution & solid state NMR experiments)

LOCATION:  Room 4008, Chemistry Building

This 500 MHz Bruker spectrometer is a newly installed Avance III HD version that enhances our studies in the area of polymer science, materials science, chemical engineering, protein chemistry, and structural biology using both solution and solid state NMR techniques. 

This instrument is also equipped with Protein Dynamics Center software package for the analyses of DOSY and relaxation experiments.

Most common experiemnts:  multinuclear 1D, 2D, and 3D NMR homo- and heteronuclear NMR measurements.

NMR Software:   Topspin 3.5

Expand headings below for detailed information on Solution and Solid NMR Experiemnts.

SOLUTION NMR EXPERIMENTS

Solution NMR:

This 500 MHz Bruker spectrometer is equipped with a Triple Resonance TXI (1H, 13C, 15N) probe with Z-gradient.  BBI, BBO probes are also available for observing other nuclei. The newly purchased TXO 500 MHz Z-gradient high resolution probe is fitted with Automatic Tuning and Matching (ATM).

The inner NMR coil is double tuned to 19F and 13C.The outer NMR coil is tuned for 1H decoupling or observation. The Automatic Tuning and Matching Accessory permit computer control of nucleus selection as well as tuning and matching from sample to sample for optimum automation. This probe can be used to perform 13C-1H-19F combinations of multi-dimensional experiments.

Fully automated 2H gradient shimming is implemented in this spectrometerwith no need to spend time on shimming. For users convenience and to save NMR time, most users will find the basic library of working pulse programs with optimized acquisition parameters to run their required NMR experiments quickly. However, proper training will be given to all users to calibrate hard and soft pulses, as well as decoupler pulse calibrations. For solution NMR studies, pulse lengths and power settings have been calibrated and preset in ‘prosol’. 

A wide variety of homo- and hetero- nuclear solution NMR experiments are available for use including 1H, 13C, 15N, 19F, DQF-COSY, HMQC, HSQC, HMBC, TOCSY, ROESY, DOSY, STD and NOESY with/without water suppression using gradient pulses.  Variable temperature range for this probe is -150 to +150 ºC.

This spectrometer (with solution probes) can be used for:  

- Obtaining routine 1H, 13C, 31P and 19F spectra of biomolecules

- Structural investigations of bio-macromolecules using 1D and 2D

- NMR Structural characterization of Amyloids

- Multinuclear measurements for studying kinetics reaction.

- Identifying and quantifying chemical components in a mixture.

- DOSY

- Characterizing molecular interactions especially protein-ligand interactions

- Determining the covalent structures of small organic compounds

SOLID STATE NMR EXPERIMENTS

Solid state NMR:

Any researcher who needs solid state spectroscopy is able to request time on this spectrometer. There are two solid state NMR probes available, each triple resonance with fixed 1H, 13C, and 15N channels:  Probe 1: E-free 3.2 mm probe (MAS up to 24 kHz) ; and   Probe 2: CMP probe (MAS up to 15 kHz).e probes having fixed 1H, 13C, 15N channel.

Probe #1:  

E-free 3.2 mm probe (MAS up to 24kHz): This is a top-loading E-Free triple resonance Magic Angle Spinning probe for solid state NMR of biological samples. It has been optimized for 13C and/or 15N observation / decoupling and 1H high-power decoupling. A special coil configuration minimizes the electric field at the sample, and strongly reduces RF heating when dielectric samples are studied. Active volume that is required can be varied from 10 to 30µL using special inserts and 24 kHz maximum spinning speed. VT range -80o C to +80o C. MAS heat exchanger system BCU-II is available for VT below ambient.  Triple resonance experiments are feasible on this machine (¹H, 13C and 15N).

Probe #2:  

CMP (Comprehensive Multi-Phase) 4.0 mm probe (MAS up to 14 kHz): The CMP probe combines Magic Angle Spinning (MAS), solids and high resolution techniques. This probe provides the ability to study all phases (solid state, gel and liquid state) in natural unaltered sample. NMR experiments can be performed on samples without pre-treatment or extraction. Identifying the metabolites and dissolved components within the cells/tissues can also be studied using this probe. Study on metabolite profiles from small pieces of intact tissue could potentially provide important molecular information. One can also investigate intact biological and environmental organisms including soil, plants, tissues, cells, bone, and seeds using this NMR approach.This CMP probe has high power handling capabilities (unlike HR-MAS probe) enabling cross polarization magic angle spinning (CPMAS) experiments to be performed. The probe has a sample volume (4 mm stator, 80 uL) for NMR studies. It has excellent 1H detection, high sensitivity for 13C detection and also high stability for long experiments (lock channel). The probe is also capable of performing excellent water suppression using gradient techniques.Sample volume can be varied between 10 and 80 μl, using the appropriate sample inserts. Maximum rotation frequency is 15 kHz.  This instrument is also equipped with a Protein Dynamics Center software package for the analyses of DOSY and relaxation experiments.

This spectrometer (solid state nmr probes) is used for:

- Polymer samples, nanomaterials, polymer blends, minerals

- Pharmaceutical samples

- Structural investigations of bio-macromolecules 

- Membrane proteins

- Multinuclear

- Magic-angle spinning solid state NMR experiments

- Conformational and dynamic information of molecules

- Bones

- Metals and alloys

- New methodology development

CURRENT NMR CENTER RATES FOR THIS SPECTROMETER:  
Internal UM user NMR rate $5.50/hour
Internal UM user consultation/technician services rate $15/hour
   
External non-UM user NMR rate - academic institution $30/hour
External non-UM user NMR rate - non-academic institution (private) $80/hour
External non-UM user consultation/technician services rate $60/hour
Additional costs may apply such as:  
     - Solid state rotor rental fee (or users may purchase/supply their own) $100/sample
     - Solution tubes rental fee (or users may purchase/supply their own) $10/sample
     - Consumable supplies and materials at cost (i.e. special solvents)