The NMR lab

The NMR lab is managed by:

Dr. Françoise Sauriol

Email: Francoise.sauriol@queensu.ca

Phone: 613-533-2260

Equipment:

The NMR lab is equipped with six Bruker NMR spectrometers ranging from 300 to 700 MHz.

  • The Avance-300 and Manual-400 run Topspin-1.3 software.
  •  The NEO-500 and 700 MHz spectrometers run Topspin-4.  
  • The auto-400 and 600 MHz spectrometers use XWINNMR software.
  • Icon NMR software is used to program the spectrometer. 

 

The spectrometers are operated by students who have received adequate training. The spectrometers are reserved online through the Faces scheduling website. There are a few additional NMR programs located on extra computers in the NMR lab: ACD prediction software (H and C13, as well as F19, N15 and P31), Mestrec-Nova processing, and Topspin (version 1.3, 2.0 and 4.0) processing software. TOPSPIN NMR processing is available freely for academic users. Also available on these computers is the ACD-NMR processing and Spinworks.

 

Training Information

All the training for use of the NMR's is virtual at this time. The videos are on OnQ and are accessible after registering in the course using your Queen's NetID.

To register go to the website below and self register to NMR training

The course will then appear in OnQ where you can listen to the various video .

To become NMR user you must be allowed to be a basic user first (AV-300 and Auto-400).

Before asking for additional training, you must use regularly the 300 for 1 month.

The next training is to become a user for the manual-400 and the NEO-500.

after using those spectrometers for at least 1-2 weeks, then you can request 600 and 700 training.

 Basic training is done on the 300MHz and can handle a maximum of 3 students per session. The software is explained with all the buttons, a sample containing glucose derivative will be inserted in the magnet by the students and different experiments (H, COSY, HMQC, HMBC, APT, C13) will be recorded and process by the students. Also, we will program the Auto-400 to do similar experiments. Finally various NMR program will be discuss and file exchange will be demonstrated. A
fter the basic session, the student will receive by email a login/password name to access
 Faces Scheduling program to reserve their own time.

Basic training is usually schedule in the afternoon from 2:00 - 5:00. To schedule an appointment contact Francoise Sauriol. If you have special restriction in time/day mention it in your email. Usually a session can be setup within 2-3 days. you can download a quick guide on how to setup an experiment.

Training on the 400/500 MHz is usually done in 1 hour (30 min on each). This training is open to all users that have received Basic Training. Make sure that you are comfortable with the basic software operation (create file name, insert sample in the magnet, Lock...). You should come with your own sample at that training. Again to get an appointment, let me know if you have any restriction of time.

Before requesting that training make sure you have practice regularly  for at least 2 weeks on the 300 and auto-400.

The training on the 600 is 3 hours and is done on a sample brought by a user. The training consist on learning the XWNNMR software, learning probe tuning and variable temperature operation. During the session we will go through any experiments the user want to learn (calibrating pulse, evaluating relaxation time, recording NOESY with proper mixing time, learning phasing in 2D. The training will be charge to the PI with it's hourly rate. This training is not available to summer students and undergrad.

The training on the 700MHz is 3 hours and is done on a sample brought by the user. It consist of demonstrating all the new experiments that can be done on modern spectrometers (2D-NUS - non uniform sampling, selective TOCSY, Selective HSQC and HMBC). This training is charge to the PI with it's hourly rate. This training is not open to Summer and undergrad students (unless the PI make a special request for a student that have a special project that can only be done on the 700.

Before requesting 700 training you must be a user of the 600 and have used it at least 2 times.

Reservation and Booking rules

Spectrometers are operated by students who have received adequate training.

Except for the Auto-400, all the other spectrometers are reserved through Faces Scheduling website where our group name is: QCHEM. The spectrometers can be reserved up to 2 days in advance.

Your name will be activated in Faces to using the spectrometer(s) as soon as you have completed the proper training session.

  • The 300: Weekdays from 8 AM to 6 PM is reserved for short periods (10 min to 30 min max) during the day.
  • Several blocks can be made during the day.
  • Longer periods are available after 6 PM. The overnight period is 8 PM until 8 AM next day is charge as 3 hours of time.

  • Weekdays from 8 AM to 6 PM time is reserved for short blocks (10 min to 60 min max).
  • The maximum amount of time that can be reserved by a user per day is 1 hr. (2 days ahead reservation)
  • on the day itself, any amount of time can be reserved: no more limitation.
  • Longer periods are available after 6 PM.
  • The overnight period is 8 PM until 8 AM next day.
  • Users cannot reserve 2 days in advance or more than 2 overnights per week. On the day itself, no more limitation.

  • can be reserved up to 3 hour sessions during the day
  • You also have the possibility to reserve another continuous reservation for longer experiments.
  • The overnight period is 8 PM until 9 AM next day

  • Can be reserved for solution or solid state usage.
  • From Thursday 9:00AM until Monday Noon: Solid state and solution state NMR: Gang Wu group only
  • From Monday Noon until Thursday 9:00AM: solution NMR open to all other users (except Gang Wu group)
  • Solid state type of experiments can reserve up to 4 days ahead.
  • On the day itself, if free time still exist, Any users can take advantage and reserve more time.

Weekend:

Longer blocks of time can be reserved on the weekend. 

  • On Saturday during the daytime (9am to 6pm), users can reserve time up to 3 hours max on the 400/500 spectrometers.
  • a user can reserve a second block of time to conduct longer experiments.
  • The overnight start at 8 PM to end at 9 AM next day.  (charge as 3 hours)

 

General rules:

  • As soon as you realize that you will not be able to come for your reservation, delete your reservation in Faces so that other user can reserve that time
  • If you reserve an overnight period that you no more need you should delete that time before 6PM so that other user can take advantage of that time.
  • When reserving 2 days ahead, you must respect all the rules. On the day itself, if more time is available, you can reserve additional periods.

Spectrometer Internal users (Chemistry) Other Queen's Users Industry

300 MHz: Day time: 8AM-8PM

$6.00/hr

$14.00/hr $100/hr

300 MHz: Night time: 8PM-8AM(3 hr)

$18.00 $42.00 $300

400 / 500 / 600: Day time: 8AM-8PM

$7.00/hr $14.00/hr $100/hr

400 / 500 / 600: Night time: 8PM-8AM (3 hr)

$21.00 $42.00 $300

700 MHz: Day time: 9AM-8PM

$9.00/hr. $16.00/hr $100/hr

700 MHz: Night time: 8PM-9AM (3 hr)

$27.00 $48.00 $300

Revised fee for September (due to L.helium that more than double in price)

  1. To become NMR user, you must follow the virtual training for the AV-300 and the Auto-400 first.
  2. Once you understand how to insert a sample in the magnet and record a spectra on these instruments, you ask me (Francoise.Sauriol@queensu.ca) to have an appointment and I will watch you recording some spectra on your own sample.
  3. Once you are an accepted user, your name will be placed in Faces so that you can reserve your own time on these instruments
  4. you must use regularly (at least 3-4 times per week) those 2 instruments for 2 weeks before you can ask further training. This is to make sure that you are comfortable inserting a sample in the magnet.
  5. After 2 weeks of regular usage you can ask training on the Manual-400 and NEO-500.
  6. after 1 week of using these instruments you can request training on the 600
  7. After using the 600 at least 2 times, you can request training on the 700

outside service

you can arrange usage by contacting the manager by e-mail

for drop off samples, drop the form with you sample in the NMR lab (CHE-108).