Global Protect VPN Access for NMR Resources

GlobalProtect VPN is required to access our NMR resources in most situations including the reservation system, the archive, and the MestReNova license server.

UIT Knowledge Base Article (Link)

https://vpn.utah.edu/

Making a Reservation at the NMR Center

Note: An active VPN connection is required to access the reservation system in most circumstances.
(See GlobalProtect VPN section above.)

Using a PC to Make Reservations

1. Download the Reservation Utility

• Download the pc reservation utility from here: (Download Link)
• OR Contact the NMR Facility Director (email link) to request access to the PC reservation utility. Once approved, you will receive an invitation to download the utility from UBox.
• Save the downloaded utility in a convenient location on your PC.

1. Run the Reservation Utility

• With your VPN connection active, double-click on the reservation utility executable.
• Enter your NMR username and reservation system password to access the system.

Using a Mac to Make Reservations

To use the reservation system or process data from a Mac, you need to install and configure the XQuartz software. Follow the steps below:

1. Install XQuartz

• Download XQuartz from the following link: XQuartz Download
• Open the downloaded .dmg file and follow the on-screen instructions to install XQuartz.
• (Optional) After installation, locate XQuartz in your Applications directory and drag it to your dock for easy access.

2. Connect to the server with the app or manually.
   1. With the app

• Download the mac reservation utility app from here: (Download Link)
• OR Contact the NMR Facility Director (email link) to request access to the Mac reservation utility. Once approved, you will receive an invitation to download the utility from UBox.
• Save the downloaded utility in a convenient location on your Mac.
• Note: You may have to change Mac permissions to allow the app to be downloaded and run. (Link To Instructions on how to change Mac permissions)
• With your VPN connection active, double-click on the reservation utility app.
• Enter your NMR username when prompted.
• When the terminal window opens, enter your NMR user password.
  1. Manually
• Open a terminal or start XQuartz and select Terminal from the XQuartz Applications menu.
• With your VPN connection active, in the terminal window, log in to the NMR server using the following command:ssh -YC your_NMR_username@nova.chem.utah.edu

• Replace your_NMR_usernamewith your unique NMR username.
• The server name is chem.utah.edu.
• Enter your NMR systems password when prompted and press Return.
• Once logged in, the command prompt will appear.

3. Start the Reservation System

• At the command prompt once connected to the server, type:

                       rsv

• This will launch the reservation system.
• Enter your NMR username and reservation system password to access the system
• When done, click exit in the lower left hand side of the reservation software.  Then type exit into the Mac terminal window.

Instructions for Connecting to the NMR Archive Server

Note: In most circumstances, you will need to establish a VPN connection before proceeding. (See GlobalProtect VPN section above.)

On a Mac (MacOS Sequoia)

1. Open Finder
   • Activate the Finder application.
2. Access the 'Connect to Server' Window
   • From the Go menu, select Connect to Server or press Command (⌘) + K.
3. Enter the Server Address
   • In the Server Address dialog box, type:
     smb://nova.chem.utah.edu/archive/Your-NMR-User-Name
   • Click the + button to the right of the Server Address input box to add this link to your list of favorite servers.
4. Connect to the Server
   • Select the link you just added and click Connect.
   • A dialog box will appear, prompting you to log in with your username and password.
5. Access Your Files
   • After logging in, a new window will open, providing direct access to your archive files.

On a PC (Windows 10/11)

1. Open File Explorer
   • Press Windows Key + E to open File Explorer.
2. Map a Network Drive
   • Right-click on This PC in the left-hand navigation pane and select Map Network Drive from the menu.
3. Enter the Folder Address
   • In the Drive drop-down menu, choose a drive letter (e.g., Z:).
   • In the Folder field, type:
     \\nova.chem.utah.edu\archive\Your-NMR-User-Name
4. Connect to the Server
   • Make sure you have a VPN connection if necessary.
   • Check the box for Reconnect at sign-in if you want the drive to be automatically reconnected each time you log in.
   • Click Finish.
5. Log In with Your NMR Account Credentials
   • When prompted, enter your NMR account credentials (username and password). Note:
     • The default login credentials are often your PC’s local account credentials.
     • To use your NMR account, you will need to manually enter your NMR account username
   • Check the box to remember your credentials if desired.
6. Access Your Files
   • After logging in, the network drive will appear under This PC in File Explorer, providing direct access to your archive files.

MestReNova (Mnova)

MestReNova (Mnova) is available to all University of Utah students and employees. Using Mnova requires downloading both the software and the main license file. Instructions for downloading and installing the software and license are provided below.

Installation Instructions

1. Download Mnova Software
   • Our current license supports downloads up to revision 15.1.
   • Versions are available for Mac, PC, and Linux.
   • Download Mnova from this link: Mnova Download
   • Select the version appropriate for your operating system.
2. Download the License File
   • Download the licenses for Mnova and optional plugins:
     (Link to Mnova License Files) or (Email Director for a download link.)
   • Important Note for All Users:
     • Ensure the license file is saved with the .lic file extension intact. Do not rename or modify the file after downloading.
     • If your browser appends extra characters (e.g., .txt), manually rename the file to remove them, so it ends with .lic.
     • A GlobalProtect VPN connection is required to validate the license so that the software can be used in most circumstances.
       (See GlobalProtect VPN section above.)
3. Install Mnova
   • Begin by installing the Mnova software.
   • Once the installation is complete, start Mnova and follow the on-screen instructions to install the license file.
   • Restart the software after installation.
4. Optional Plugins
   • Optional plugins include Mnova qNMR and Mnova Reaction Monitor.  The licenses can be installed using the Mnova Registration Wizard.
     (Link to Mnova License Files) or (Email Director for a download link.)

All users of the NMR spectrometers must have an individual NMR Center account with a valid username and password.  Accounts cannot be shared.  New user account are created after the required safety and instrument training.

Access to the NMR laboratories is controlled with badge readers using University of Utah identification cards (U-Card). All users must have their own physical U-card. Cards cannot be shared. New users that were not issued a physical card can request one from the U-card office.  Access will be authorized by the Director of the NMR Center upon completion of the new user training and the appropriate clearances will be added to your U-card profile.

Time on the NMR instruments must be reserved in advanced using the reservation system and time slots are first-come-first-served.   NMR users are instructed on the following rules when making a reservation.

Reservations can be made in 15 minute increments for most instruments (1 hour increments on DD800).

Users are allowed to reserve the time they think they need but must be considerate of other users. Repeatedly reserving significantly more time than you actually used can result in restricted access to the instrument.

Users must actively manage their reservation by making reservations in good faith, reserving only what time they think they will use, and deleting their reservation if any unused time remains.

Be on time for your reservation. Facility administration reserves the right to delete reservations if the user is more than 15 minutes late.

Make sure you remove your sample/s from the instrument and logout by the end of your reservation. The person with the current reservation has priority access to the instrument.

Every effort should be made to run long experiments (>4 hours for most instruments and >2 hours for Neo500) outside of prime time hours (9am-6pm on weekdays).

Reservations that monopolize prime time hours on Neo500 must be discuss with facility administration.

The reservations for insturment time outside of prime time hours are not limited.

Reservations may be made up to four weeks in advance on most instruments (1 week for Neo500). Reservations of intervals greater than the allowed lead time for a specific instrument 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 NMR instruments by a single user should be avoided. Users reserving simultaneous time slots on multiple instruments must inform the NMR Center director, 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.

User are required to fill out the log book every time they use the instrument and include the time the instrument was used.

Repeated abuse of the reservation policies will result in a written warning to the user and PI for the first instance. Continued instances will lead to suspension of privileges and restricted access.

Facility administration reserves the right to remove reservations that are deemed excessive/abusive or in violation of policy.

Facility administration reserves the right to remove reservations to accommodate necessary maintenance activities.

These policies may be amended or updated at anytime to adapt to changing instrument demands.

Charges for use of a spectrometer are assessed only when a user is logged in to the instrument operation program at the spectrometer console. Users are expected to remain logged in during the entire time of their reservation and not to tamper with or circumvent the time logging process. Information on the current and future use status of the instruments may be obtained using the reservation tool.

University Rates:

Please contact Paul Oblad (801-581-3828) for details.

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.

Responsible use of Center instruments requires that problems be promptly reported to NMR Center Staff and recorded in detail in the system log book.

All users of the NMR Center are expected to uphold the highest standards of responsibility and safety when operating Center instruments. This includes:

• Prompt Reporting of Malfunctions: Any instrument malfunction, irregular behavior, or error must be immediately reported to NMR Center Staff. Additionally, a detailed account of the issue must be recorded in the system log book, including the time, nature of the problem, and any actions taken.
• Sample Integrity: If a sample is found to be broken, leaking, contaminated, or otherwise compromised, users must:
  • Cease use of the instrument immediately.
  • Notify NMR Center Staff without delay.
  • Record the incident in the system log book.
• Preventive Responsibility: Users are expected to inspect their samples and equipment before use to prevent avoidable damage or contamination. Use of damaged or improperly prepared samples is strictly prohibited.
• Accountability: Failure to report issues or misuse of instruments may result in suspension of access privileges and further review by Center administration.

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.

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.

The NMR Center currently has a variety of instruments supporting research involving both liquid/solution phase samples.  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).

All common solution NMR experiments are 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.

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 a magnetic field, the nuclei in a molecule absorb electromagnetic radiation at radio frequencies, typically in the hundreds of megahertz (MHz) range.

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 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.

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. Basic NMR training and consultation are available.  We do not accept any samples for analysis.  All samples must be handled and analyzed by the a competent researcher.

Please contact Paul Oblad to discuss the many available options.

Usage Rates

University Rates:

$17.50/hour, M-F from 9am-6pm

$10.50/hour, all other times

Commercial Rates:

Please contact Paul Oblad for details.

Facility Personnel

Paul Oblad, PhD

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
• Professor Ryan Looper
• Professor Shelley D. Minteer
• Professor Matthew S. Sigman

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
• Dennis Edwards
• Peter Flynn

Agilent DirectDrive 500 (500b)

1H, 13C, 15N, 2H 7Li, 11B, 14N, 19F, 31P | VT operation: -80°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 -80°C to about +80°C.

Varian VNMRS 800 (dd800)

1H, 13C, 15N, 2H | VT operation: 5° to 40°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.

Bruker Avance NEO 500 (neo500)

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.

Bruker Avance Neo 300 (neo300)

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.

Varian 400 (i400)

Solid-State NMR Equipment

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 Assignment Posters

• 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)