IU NMR Facility

We will be doing advanced NMR training this Friday (1/9, 10am-noon), next Tuesday (1/13, 10am-noon) and Thursday (1/15, 2-4pm). These will be single 2 hour sessions. The basic concepts of 2D NMR will be introduced and we’ll go through setup, acquisition, processing and plotting of the common 2D NMR 1H-1H and 1H-13C experiments including COSY, TOCSY, NOESY/ROESY, HMQC/HSQC and HMBC/CIGAR.

We’ll be at a spectrometer so the number of attendees in each session will be limited to 4-6. If you plan to attend, please sign up on the online sign-up sheet. The training is free.

By default, VnmrJ is set to automatically process NMR data when a FID file is opened. If you prefer to process your data using the parameters that were stored in your FID file, you can do so. All you need to do is to disable the autoprocessing feature: click Edit in the main menu, then click on System setting … to open the System setting window, click on the Display/Plot tab and uncheck Process data on drag-and-drop.

Now, when you open a FID file, VnmrJ doesn’t execute autoprocessing. You can retrieve the parameters (phase, integrals, scales, plot regions, etc.) stored in the FID file, and reprocess your data — just type wft or wft2da (for 2D data).

We have successfully installed a 600 MHz NMR spectrometer (I600) which was kindly donated by Merck. It is open to users now.

This spectrometer is fully loaded. It came with an INOVA console (the same model as our other spectrometers in C237) equipped with four RF channels, waveform generator on each channel, Z-axis PFG, and VT unit. A 5mm HCN PFG probe is currently installed for routine operation. The current configuration is optimized for proton detected experiments at high sensitivity, such as 1D proton, 2D COSY, NOESY, TOCSY, ROESY, HSQC, HMQC, HMBC, 1H diffusion, etc.. It also works for measuring 13C spectra but the 13C sensitivity (of the HCN probe) is only 50-60% of the 1H/13C dual probe on the I500 (therefore, we recommend you use the I500 for 13C measurements, not the I600). The variable temperature range of this HCN probe is -20 to 60°C.

A newer version of VNMRJ software (3.2A) was installed on the I600. We have made some modifications so the software GUI looks similar to those on our other spectrometers and you will find all the IU additions which were added to the VNMRJ 2.2D on the other spectrometers (*, **).

The I600 is located in C234. Your key for C237 would work for C234 as well. All users have their NMR accounts set up on the I600. You should be able to use the spectrometer right away. The same sign-up rules as for the I500 will be used for the I600.

No special training is needed. However, we recommend that when you use the I600 for the first time, have a NMR staff be with you.

* At this moment, the macro iuexit (or the Exit VnmrJ and Logout button on VNMRJ GUI) which enable users to exit VNMRJ and logout in one step does not work for VNMRJ 3.2A. To logout, you would need to type exit (or click Exit VnmrJ button) to exit VNMRJ first, then click System on the top of screen followed by clicking Log out username …
Update on Jan. 27,2015: iuexit has been modified and now works for VNMRJ 3.2A.

** The macro emaildata also doesn’t work on the I600 at this time.
Update on Jan. 29,2015: emaildata has been modified and now works on I600.

Charging rate for V800 and V600 (in SI037) increases to $10/hour and $8/hour, respectively, effective Oct. 1, 2014. The rate for the newly installed I600 (in C234) will be $6/hour. A full list of rates for all spectrometers can be found on the Rates page.

The NMR facility will be hosting a Bio-NMR Workshop on two successive Fridays next month— November 7 and 14 (see the flyer).

The workshop runs from 9:00 am to 12 noon, and is broken down into a presentation block (9 am-11 am, SI 030) and a hands-on demonstration at the 800 MHz spectrometer (11 am-12 noon, SI 037). Enrollment is limited to 12 people for each of the two sessions, first come, first served!

Students will learn about the nuts and bolts of how biological NMR works, to sample preparation hints, and will emphasize the types of experiments that can be done using this method. The sensitivity of modern NMR spectrometers has improved dramatically so that relatively dilute solutions of purified protein or protein assemblies can be studied. Furthermore, it is now possible to study large systems (up to 100 kD) using this method.

Please send an email to Hongwei if you would like to register for the workshop. Include your name and PI. There is no registration fee and extensive prior knowledge of NMR spectroscopy will not be assumed.

We recently upgraded the FTS cooling system of the I500 to a high-capacity model (the same model as the I400 has). Users now can do low temperature experiments on the 500 down to -55 °C without the need of liquid nitrogen.

Please always make sure the currently installed probe as well as the solvent of your samples can handle the temperature you’re going to set. And, remember to use set_temp command to accurately set the temperature (see the previous post). Talk to the NMR staff if you have questions or need help.

Gem300 has been retired.

A problem on the I500 variable temperature controller has been fixed.

We recently upgraded our Mestrenova program to its latest version 9.0.1. To install the new version, uninstall old versions first, then go to ITG’s software page and click Install It. You will be given instructions and can download the software from there. You don’t have to download and install the license files, since your old license files work for the new version.

Check out the new features of 9.0.1. We have access to the qNMR and Reaction Monitoring plugins.

The pulse gradient driver on I500 has been replaced. It is now possible to do gradient versions of 1D and 2D experiments. However, if you wish to do diffusion experiments, contact NMR staff for assistance.