**SampleJet Cap change**

Starting Monday – please use the colored ‘Norell’ caps for all experiments on the AVIII 400 NMR-Saffron.  We will be TESTING these new caps and monitoring any changes in the number of sample insertion failures for a few days.  If there are no increases, we’ll permanently start supplying these caps instead of the purple Bruker caps.  Why?  Bruker has significantly increased the price per cap.  Their caps are the most compatible with their hardware, obviously.  However, it is fiscally responsible to fully test the ‘Norell’ caps which are much less expensive. A few users have already been using these occasionally without significant issues.

Please follow the link to watch a video on the proper placement of the cap.

The ‘Norell’ caps are much different.  First, you’ll notice they fit more tightly on the NMR tube, creating a much better seal.  Second, the cap still has to be completely pushed onto the tube – until you feel it push onto the tube a 2nd time.   If not, the cap will not be aligned straight with the tube, and the system will give an error stopping the queue.  Third, these caps are re-usable further reducing the price of the cap.

All NMR tubes still must be completely undamaged!! Any chip at the top of the NMR tube will misalign the cap/tube which will likely stop the queue.   I’ll be handing out free ‘Norell’ NMR tubes which work as guides for properly placing the cap on the tube.

For more information or if you’d like to order your own caps (if you’d like your lab to use a particular color).  FYI – you may still use the purple Bruker caps, but if the ‘Norell’ caps work for us the NMR facility will refrain from supplying the purple Bruker caps. They are available in Bruker’s online store for purchase.



If you haven’t heard yet – Bruker is offering FREE TOPSPIN on their website.  This is a free ‘processing only’ version of Topspin for academic users.  You must register/login with a valid .edu email address. The link is given below, which you can follow after you login to their website:


Make sure the page mentions “Free Topspin processing software for academia”.  There are other Bruker webpages with downloads that will require a license, so make sure you are downloading the correct version.  Also, be sure during installation that you select ‘Processing only’ – do not install for acquisition.  Let the NMR staff know if you run into any issues with the download/installation.


Ceiling repair in CBEC NMR facility

Several drain pipes in the ceiling above the NMR instruments will be replaced in Dec/Jan.  The instruments AVIII 400 (NMR-Saffron) and AVIII 600 (NMRSage) will not be available during the work the week of Dec 28th.  The data processing computer will also not be available.  Please plan accordingly.  There are several testicles in the facility during this repair, so please do not enter the facility during this time.

Helium supply update

C&EN published a report on the upcoming, potential shortage of helium.  The US supply shutdown was postponed to 2021.  As we approach this date, the helium prices may continue to be raised to unsustainable prices for academic labs.

IUPAC recommendations for chemical shift reference

Chemical shift reference

The standard for referencing chemical shifts is TMS 0 ppm (1H).  The 2008 paper by Zilm describes the simple method for calculating the chemical shift of any other nuclei (13C, 31P, 29Si, etc.) without the use of an internal or external standard.  IUPAC recommends this method over typical methods using secondary standards.  Authors should note their method of referencing in all publications.

View the MathML source


Summary:   https://www.chem.wisc.edu/~cic/nmr/Guides/Other/Xi_chem_shift_scale.pdf 

DRX 500 MHz Retirement

The DRX 500 has been retired.  The magnet has had an ice blockage issue for more than a year, increased costs for maintenance, and low usage.  The 600 MHz was purchased to replace this system.  So, yesterday evening the magnet was de-energized.  A new start-up company based in Colorado, PhoenixNMR, will pack up the magnet in the next few weeks and ship it to their location.  They will use the magnet to test their specialized probes.

All users’ NMR data are still available on the local PC as well as the NMR-Nutmeg network drive. If you stored your data on the Windows XP, please take time to backup this data to another location.  This is an older computer and may have issues in the future.