D.M. Grant NMR Center
The D.M. Grant NMR Center is a key resource of the University of Utah that supports the research community by supplying access to state-of-the-art NMR instrumentation.
The NMR Center currently has seven operating instruments, supporting research involving both liquid/solution phase sample and solid-state materials. For solutions studies, the Center has one 800 MHz (1H) instrument, three 500 MHz (1H) instruments, one 400 MHz (1H)instrument, and one 300 MHz (1H) instrument. The Center has a wide ranges of NMR probes, supporting acquisition of NMR spectra for all of the common nuclei (1H, 13C, 2H, 31P, 19F, 10B, etc).
Literally every known solution NMR experiment is supported, including multinuclear/multidimensional studies, diffusion-ordered (DOSY) experiments, and chemical-exchange-saturation-transfer (CEST) experiments. A speciality of the liquids-capable instruments is support for structural biology and biophysical studies, including full support of non-uniform sample (NUS) methods. For studies involving solid-state samples, e.g., microcrystalline powders, the Center operates SSNMR instruments at 200 MHz (1H) and 400 MHz (1H) that are capable of recording all of the standard SSNMR experiments, including CP/MAS, HETCOR, and FIREMAT experiments.
To make a reservation at the NMR Center, request access to the PC reservation utility from Paul or Peter. You will receive an invitation to download the utility from Ubox. Note that you will need to have a VPN connection active.
More information on making a reservation or processing data at the D.M. Grant NMR Center can be found in the Policies section below.
Our Mission
The mission of the D.M. Grant NMR Center is to support the University of Utah research community. We offer access to modern NMR instruments, and support that access with basic training and training materials. But the Center is much more than an instrument facility. The staff of the Center work closely with researchers to help them identify how NMR-based approaches can inform their research efforts. Traditionally, NMR has been successful in providing structural information on molecules - whether they be the result of synthetic strategies, derived from natural sources, or generated biosynthetically. The Center supports efforts to answer structural questions using the best of modern NMR methods. In addition to structural answers, the Center staff help researchers answer questions involving materials science (compositional analysis), physical organic chemistry (reaction kinetics), and biophysics (kinetics, relaxation-based studies of local conformational fluctuations). Center staff are eager to learn about your science and share their expertise. Contact information is available here.
What is NMR?
Nuclear magnetic resonance (NMR) is a technique that detects the interaction of radio-frequency radiation with a sample to provide information about the structure of the sample.
The sample in most cases is a solution of molecules – typically one kind of molecule in a simple two-component solute/solvent system.
The sample is placed in an extremely high relative magnetic field – typically more than 100,000 times stronger than the magnetic field of the earth. Under the influence of the magnetic field, the nuclei present in the molecule will absorb electromagnetic radiation with frequencies in the radio range, e.g., hundreds of cycles per second (approx. 100 MHz to 100 MHz).
If we irradiate the sample, the molecule will absorb energy and respond in a way that reveals details about the structure in the local vicinity of each of the atoms. By analyzing the response of nuclei/atoms together, the structure of a molecule can be determined.
The D.M. Grant NMR Center provides the University of Utah research community access to high-resolution solution NMR spectrometers. Basic NMR training and consultation are available.
Off-Campus Services
The D.M. Grant NMR Center is available to off-campus researchers from both the public and private sectors. Please contact Paul Oblad to discuss the many available options.
University Rates:
$17.50/hour, M-F from 9am-6pm
$10.50/hour, all other times
Commercial RATES:
Please contact Paul Oblad (801-581-3828) for details.
1H, 13C, 15N, 2H | VT operation: 5° to 40°C. The 500a instrument was installed in May, 2012, and features a high-sensitivity cold-probe detection system that provide an increase of approximately 4x over the conventional room-temperature probe design. The 500a instrument is designed with application to biological macromolecules as its primary target, but is extremely useful in any applications requiring high-sensitivity detection of 1H and/or 13C resonances (e.g., low sample concentration).
1H, 13C, 15N, 2H 7Li, 11B, 14N, 19F, 31P | VT operation: -100°C to 80°C. The 500b instrument was installed in October of 2011, and is equipped with a number of direct X-nucleus detection and indirect 1H-detection probes. The 500b instrument is an excellent general utility instrument that is capably of VT operation over the range from about -100°C to about +80°C.
1H, 13C, 15N, 2H | VT operation: 5° to 50°C. The dd800 instrument was installed in the summer of 2010 and is equipped with two probes, an indirect 1H, 2H, 13C, 15N probe that is most useful for study of biological macromolecules, and a direct X-low-band probe (1H-decouple) that is most useful for application in synthetic chemistry and materials science. This instrument has increased resolution and separation of signals that may be indistinguishable at lower fields.
Prodigy probe: 1H, 19F, 31P-35Cl The neo500 instrument was installed in early 2019 and is equipped with a liquid nitrogen cooled Prodigy probe that is roughly twice as sensitive as a conventional room-temperature probe on both channels. The high-frequency channel is tunable to either 1H or 19F, and the broad-band channel is tunable to frequencies between that of 31P and 35Cl. It also has a room temperature probe with a broad-band channel tunable to nuclei between 19F and 109Ag. This instrument is equipped with a 60-slot SampleXpress sample changer.
Room temperature probe: 1H, 19F-97Mo The neo300 instrument was installed early in 2019. This two-channel instrument features a probe that will detect 1H on one channel, and nuclei between 19F and 97Mo on the broad-band channel. This probe can perform a wide range of measurements including 19F {1H} and 1H {19F} experiments. The system also includes a 24-slot SampleCase sample changer.
The NMR Center is also home to two older ChemMagnetics NMR solid-state instruments operating at 200 MHz (1H) and 400 MHz (1H). These instruments were installed in the late 1980’s but remain completely operational. Both systems support standard CP/MAS experiments with high power 1H and X-low-band operation. The instruments were designed to carry out magic-angle turning experiments that provide high-precision measurements of chemical shift tensors (e.g. slow-turning FIREMAT experiments), which can provide unique structural information. The 200 MHz instrument is equipped with probes that support 5 mm and 7.5 mm rotors with turning speeds of approximately 12 kHz and 7.5 kHz respectively. The 400 MHz instrument is equipped with a 7.5 mm probe that supports maximal turning speed of approximately 7.5 kHz. The emphasis of these instruments has been and remains magic-angle slow turning experiments in which rotational frequencies are typically less than 2 kHz. In February of 2009 a new digital console was added to the laboratory that provides access to the standard range of multidimensional/multinuclear CP/MAS experiments for the instrument operating at 200 MHz (1H). FIREMAT reference: Alderman, D. W.; McGeorge, G.; Hu, J. Z.; Pugmire, R. J.; Grant, D. M. Mol. Phys. 1998, 95, 1113
NMR System Account
All users of the NMR spectrometers must have an NMR Center account with a valid username and password. The username and password are used for authenticating access on all NMR spectrometers.
Account Setup & Software
- If outside the Building 85 complex, start the GlobalConnect VPN Client. GlobalProtect VPN is required for remote access (from outside building 85) to our NMR resources. This includes accessing the Mnova license server. You may first need to install Duo Security.
- VPN connection guide and download options
- The portal should be set to: vpn.utah.edu
- Note that some parts of the Chemistry complex require you to establish a VPN connection to access the nova host.
- To connect to the NMR server using MAC OS, you will need to install the XQuartz software package.
- The current version of XQuartz is XQuartz-2.7.11.dmg.
- It will most probably be useful to add a short for XQuartz to the dock – find the application in the applications directory and drag it to the dock.
Laboratory Access
Access to the NMR laboratories is controlled by Logiplex card swipe locks using University of Utah identification cards (U-Card). Access will be authorized by the Director of the NMR Center, and users of the NMR spectrometers apply to have their card activated for the laboratories they need to enter.
Reservation System
Access to the solution NMR instruments must be reserved in advanced using the reservation system. Reservations may be made up to four weeks in advance. Reservation of intervals greater than one week should be arranged in advance by consultation with the NMR Center Director. Users may maintain up to two reservations at one time. Concurrent use of both solution NMR instruments by a single user should be avoided. Users reserving simultaneous use of both instruments must inform the NMR Center director immediately after reserving time, and the NMR Center Director reserves the right to deny concurrent access (e.g., during times of high usage).
In the event that reserved time cannot be used, the reservation should be promptly deleted. Users that fail to access the reserved instrument within 15 minutes of their reservation time may forfeit their entire reservation. Repeat instances of failure to delete unused reservations will result in a written warning to the user and PI for the first instance - continued instances will lead to suspension of privileges.
Make a Reservation or Process Data
- To make a reservation at the NMR Center on a PC, request access to the PC reservation utility from Paul or Peter. You will receive an invitation to download the utility from Ubox. Note that you may need to have a VPN connection active.
- To make a reservation at the NMR Center or process data inside HEB using MAC OS, you'll first need to obtain and configure the XQuartz software package. Then, follow these instructions to make a reservation.
- Note that some parts of the Chemistry complex require you to establish a VPN connection to access the nova host.
- To make a reservation at the NMR Center or process data outside HEB using MAC OS, you may first need to install Duo Security and establish a VPN connection. Then obtain and configure XQuartz software and follow these instructions to make your reservation.
Access Fees
Charges for use of a spectrometer are assessed only when a user is logged in to the VNMR instrument operation program at the spectrometer console. Users are expected to remain logged in during the entire time of their reservation. Information on the current and future use status of the instruments may be obtained using the reservation tool.
Training Program
Users may acquire competence on the solution NMR instruments in a number of ways. The NMR Center offers training in basic computer skills, essential operational aspects of NMR experiments, and basic data processing. Users with prior experience with current Varian system operation, probe changing, and NMR safety procedures may access instruments by requesting a check out procedure designed to confirm skills.
Cryogen Maintenance
Maintenance of the NMR systems is central to operation of the NMR Center. In the event of delays in delivery of cryogens or other unanticipated events, reservations may be preempted to allow Center Staff to conduct required procedures.
Incident Reporting
Responsible use of Center instruments requires that malfunctions be promptly reported to NMR Center Staff and recorded in detail in the system log book.
Laboratory Safety
Strict adherence to laboratory safety must be observed at all times. It addition to basic common sense practice observed in any laboratory setting, there are three categories of safety concerns that are unique to NMR laboratories.
The first concern is the presence of large static magnetic fields, which are many thousands of times the strength of the earth's magnetic field. The distance dependence of the attraction of ferromagnetic materials to the magnet systems is predictable, but rather unexpected (assuming that the magnet is a point dipole, the strength of the interaction decreases approximately as the 3rd power of the distance). Serious injury can result if body parts come between a ferromagnetic object and the outer vacuum case of the magnet system.
A second concern arises dues the common presence of cryogenic liquids in the NMR laboratory. The increase in the volume that occurs with the liquid to gas phase transition is significant, with typical ratios of gas volume over liquid volume of > 700. The conversion of liquid to gas, such as might occur during an failure of the magnet dewar system or through the uncontrolled loss of superconductivity of the magnet itself (commonly known as a 'quench'), represents a potential asphyxiation hazard since the N2 or He gas can displace atmosphere (e.g., oxygen) in the NMR laboratory. In the event of a magnet quench, all individual must remove themselves to a safe location until normal atmospheric conditions return to the laboratory.
A third concern is also related to the common presence of cryogenic liquids in the NMR laboratory. The major concern involves liquefied nitrogen, which has a boiling point at atmospheric pressure of 77K, and has sufficient heat capacity that even very brief exposure can destroy tissue. Liquified helium has a boiling temperature at atmospheric pressure of 4.5K, and though it is a relatively poor coolant, exposure of the skin to a stream of liquid or cold gas can likewise cause severe injury. NMR staff must don protective gloves and goggles when they handle cryogens. Users should also be aware of the risks of exposure and remain clear of the vicinity of the magnet systems whenever maintenance procedures are in effect. In the event of exposure to cryogen liquid or gas, the following first aid procedures are recommended:
Immediately remove the victim from the cryogen hazard (or vice versa).
Remove clothing that may interfere with the circulation of blood to the frozen tissues, but do so slowly, to prevent additional damage to skin.
Do not rub or massage the affected region.
Immerse the affected area in a warm water bath, < 40°C (< 105 °F) or exposure to warm air of the same temperature range.
Eyes exposed to cryogen liquids or gases should be flushed them with warm water, < 40°C, for at least 15 minutes.
The victim should seek immediate medical attention.
David M. Grant NMR Center Support Acknowledgments
All publications that make use of research results obtained in the NMR Center must include an acknowledgment of the Center as well as sources that helped to fund the Center. Acknowledgment of the funding sources is a requirement of the federal granting agencies, and proper reporting is essential for the success of future funding requests.
Please include the following lines in the acknowledgment section of the publication:
NMR results included in this report were recorded at the David M. Grant NMR Center, a University of Utah Core Facility. Funds for construction of the Center and the helium recovery system were obtained from the University of Utah and the National Institutes of Health awards 1C06RR017539-01A1 and 3R01GM063540-17W1 respectively. NMR instruments were purchased with support of the University of Utah and the National Institutes of Health award 1S10OD25241-01.
Advisory Group
The NMR Center Advisory Group consists of principal investigators from the major user groups. This group advises the Director on current operations, and helps chart the course for the future of the Center.
Current Advisory Group Members
- Assistant Professor Bethany Buck-Koehntop
- Professor Ryan Looper
- Professor Shelley D. Minteer
- Professor Matthew S. Sigman
Research Groups
The D.M. Grant NMR Center supports research across campus, including:
- Cynthia Burrows, Chemistry [REFERENCES | GROUP WEBSITE]
- Peter F. Flynn, NMR Center/Chemistry [REFERENCES | GROUP WEBSITE]
- Michael Hoepfner, Chemical Engineering [REFERENCES | GROUP WEBSITE]
- Ryan Looper, Chemistry [REFERENCES | GROUP WEBSITE]
- Janis Louie, Chemistry [REFERENCES | GROUP WEBSITE]
- Bethany Buck-Koehntop [REFERENCES | GROUP WEBSITE]
- Jessica Kramer, Bioengineering [REFERENCES | GROUP WEBSITE]
- Shelley D. Minteer, Chemistry [REFERENCES | GROUP WEBSITE]
- C. Dale Poulter, Chemistry [REFERENCES | GROUP WEBSITE]
- Jon D. Rainier, Chemistry [REFERENCES | GROUP WEBSITE ]
- Matthew S. Sigman, Chemistry [REFERENCES | GROUP WEBSITE]
- Caroline Saouma, Chemistry [REFERENCES | GROUP WEBSITE]
- Peter J. Stang, Chemistry [REFERENCES | GROUP WEBSITE]
- Luisa Whittaker-Brooks, Chemistry [REFERENCES | GROUP WEBSITE]
- Ilya Zharov, Chemistry [REFERENCES | GROUP WEBSITE]
Mnova
Mnova is available to all researchers in the University of Utah Department of Chemistry and others by arrangement. Use of Mnova requires dowload of the software and at least one license file. A complete description of the software and license installation is provided below.
Installation
- Download Mnova. Our current license allows downloads up through revision 14.2.1
- There are versions for Mac, PC, and Linux. Select the version that is appropriate for your OS.
- Download the Mnova License File
- Right-click on the link, then select Save Link As...
- It would be best to create a new directory for the license (.lic) file, but you may save the .lic file in your Downloads directory.
- Begin by installing MNova. When the installation is complete, start MNova and install the license.
Below are links to optional plugins can be installed the same way through the Mnova Registration Wizard:
Lecture Notes
Hand-Written Lecture Notes
NMR Assignment Posters
Undergraduate research assistants in the D.M. Grant NMR Center use a series of 1 and 2-dimensional NMR experiments to make structural assignments to different compounds.
These projects are great examples of how to use basic NMR to resolve a variety of structural uncertainties.
- Aspirin NMR Assignments by Russell Davis (uses 1H, 13C, gCOSY, gHMBC, gHMQC and DEPT)
- Cinnamaldehyde NMR Assignments by Marisol Zarate (uses 1H, NOESY, gCOSY, 13C, gHMQC and DEPT experiments)
- Ethyl Trans-Crotonate NMR Assignments by Morgan Stinson (uses 1H, 13C, gCOSY, gHMQC, gHMBC and DEPT experiments)
- Isoamyl Acetate NMR Assignments by Rhyan Moffitt (uses 1H, 13C, gCOSY and gHMQC experiments)
- Melatonin NMR Assignments by Sarah Clair (uses 1H, 13C, gCOSY, DEPT. gHMQC and gHMBC experiments )
- Menthol NMR Assignments by Morgan Stinson (uses 1H, 13C, NOESY, gHMQC and DEPT)
- Strawberry Aldehyde NMR Assignments by Zane Blank (uses 1H, 13C, gHMQC, DEPT and gHMBC experiments)
- Vanillin NMR Assignments by Carter Bruett (uses 1H, 13C, DEPT, gHMQC, gHMBC and gCOSY experiments)
- Verbenol NMR Assignments by Russel Davis (uses 1H, 13C, gHMQC, DEPT, gCOSY and NOESY experiments)
- 2-Ethyl Inadanone NMR Assignments by C. Austin Service (uses 1H, 13C, COSY, gHMQC and DEPT experiments)
- 4-Allylanisole NMR Assignments by C. Austin Service (uses 1H, 13C, gCOSY, DEPT and gHMQC experiments)
Alumni
Student Alumni
- Elizabeth Wittenborn (September 2009 – June 2012)
- Jessica Wickes (November 2009 - May 2010)
- Thomas Edwards (January 2011- June 2014)
- Austin Service (May 2011 - May 2015)
- Morgan Stinson (September 2011 - March 2015)
- Russell Davis (May 2012 - May 2015)
- Rhyan Moffit (February 2014 - May 2017)
- Sarah Clair (May 2015 – May 2016)
- Marisol Zarate (May 2015 – May 2017)
- Jeff Hood (May 2015 –May 2016)
- Jeff Wang (May 2015 –May 2016)
- Carter Bruett (May 2015 – July 2017)
- Zane Blank (September 2015 – August 2016)
- Abigale (Abby) Shettig (September 2015 – June 2016)
- Ellora Staker (September 2016 - present)
- Riley Pence (May 2017 - present)
- Erica Fenten
- Aryana Vadipour
- Kevin Alvarez
Staff Alumni
- Michael Larson (May 2013 - August 2015; summer 2016)
- Sarah Soss
- Michael Groves