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News Archive - NMR Facility - News Archive
 |
Crystalline beta-Barium Borate is an important nonlinear optical material often used in frequency mixing. Interestingly enough, even though beta-Barium Borate has been known for years, there still exists a controversy about its true crystallographic space group. That is existed until now! In this cover article in the Journal of Physical Chemistry C a research team from the University of Western Ontario has solved this problem using ultrahigh-field solid-state NMR spectroscopy and quantum chemical calculations. |
Andre
Sutrisno, Cheng Lu, Robert Lipson, Yining Huang, "Combined
135/137Ba Solid-state NMR at an Ultrahigh Magnetic Field and Computational
Study of beta-Barium Borate," Journal
of Physical Chemistry C 113 (2009) 21196–21201.
(Cover Article) http://dx.doi.org/10.1021/jp9044786
This is a seventh cover article featuring results obtained
using resources of the National Ultrahigh-Field NMR Facility for
Solids. See our cover gallery and the complete list of research
publications enabled by the Facility here (complete
list).
Our
congratulations to recent travel grant recipients !
Margaret Hanson (University of Western Ontario)
Vladimir Michaelis (University of Manitoba)
Brandon Greer (University of Manitoba)
Andre Sutrisno (University of Western Ontario)
Travel
support program for students and young scientists
Students and young scientists from Canadian Universities are welcome
to apply for a travel stipend towards full or partial reimbursement
of their travel expenses incurred while visiting the 900 NMR Facility.
All requests should be submitted by a supervisor in advance of
the trip and include a cost estimate. Requests should be forwarded
to the Facility manager for review
and approval by the Steering Committee.
Magic
angle adjustment in MAS probes is commonly performed by observing ST
spinning sidebands in 79Br MAS NMR spectra of KBr at low spinning speeds.
The magic angle is set correctly when the sidebands have the highest
intensity. A Hall effect magnetic flux sensor can be used for the same
purpose [1], for example in low-gamma MAS probes incapable of 79Br NMR.
We have recently tested this approach at the 900 NMR Facility: The figure
shows the normalized intensity of the 79Br ST spinning sidebands in
KBr versus the Hall voltage measured. This Hall sensor will be used
for magic angle setup in a 2.5 mm boron-free MAS probe which is currently
under construction.
For
more information see
[1] S. Mamone, A. Dorsch, O.G. Johannessen, M.V. Naik, P.K. Madhu, M.H. Levitt, "A Hall effect angle detector for solid-state NMR," Journal of Magetic Resonace 190 (2008) 135-141. http://dx.doi.org/10.1016/j.jmr.2007.07.012
the Facility Steering Committee meeting took place at the NMR Facility on November 5th, 2009.
 |
2008-2009
Annual Report (Oct 29/09) |
 |
This high-profile special issue of PCCP guest-edited by Paul Hodgkinson (Durham, UK) and Stephen Wimperis (Glasgow, UK) will be presented to the participants of the upcoming 6th Alpine Conference on Solid-State NMR in September 2009 (conference web-site). Among many excellent reviews and research papers highlighting recent trends and progress in the field of solid-state NMR spectroscopy there are three 900 papers, including the front cover article by Gang Wu's group from Queen's. Physical Chemistry Chemical Physics, volume 11, issue 32, 2009 |
Jianfeng
Zhu, Amanda J. Geris and Gang Wu, "Solid-state 17O NMR as a sensitive
probe of keto and gem-diol forms of alpha-keto acid derivatives,"
Physical
Chemistry Chemical Physics 11 (2009) 6972-6980.
(Cover Article, Themed
Issue) http://dx.doi.org/10.1039/b906438a
Rebecca P. Chapman and David L. Bryce, "Application of Multinuclear Magnetic Resonance and Gauge-Including Projector-Augmented Wave Calculations to the Study of Solid Group 13 Chlorides," Physical Chemistry Chemical Physics 11 (2009) 6987-6998. (Invited Article, Themed Issue) http://dx.doi.org/10.1039/b906627f
Luke
A. O'Dell and Robert W. Schurko,
"Static solid-state 14N NMR and computational studies of nitrogen
EFG tensors in some crystalline amino acids," Physical Chemistry
Chemical Physics 11 (2009) 7069-7077. (Invited Article,
Themed
Issue) http://dx.doi.org/10.1039/b906114b
 |
Quadrupolar
halogens find widespread use i.e. in pharmaceutical formulations.
Solid-state NMR provides a direct mean to probe local halogen |
Rebecca
P. Chapman, Cory M. Widdifield and David
L. Bryce,
"Solid-State NMR of Quadrupolar Halogen Nuclei," Progress
in Nuclear Magnetic Resonance Spectroscopy 55 (2009) 215–237.
(Invited Review) http://dx.doi.org/10.1016/j.pnmrs.2009.05.001
See other publications enabled by the 900 NMR Facility here
 |
Unique instrumentation available at the 900 NMR Facility allows our users to deal with systems and nuclei inaccessible before with NMR at lower fields. One example is 73Ge NMR in solids which was previously limited only to highly symmetric environments. In this cover article just published by Chemical Communications a research team from the University of Manitoba and NRC-SIMS is reporting natural abundance 73Ge NMR spectra in much more challenging amorphous and crystalline germanium oxides. Work continues on even more complex glasses and crystalline phases to address long-standing fundamental questions in glass science, such as the ‘‘germanate anomaly’’. |
Vladimir K. Michaelis, Pedro M. Aguiar, Victor V. Terskikh and Scott Kroeker, "Germanium-73 NMR of Amorphous and Crystalline GeO2," Chemical Communications (2009) 4660-4662. (Cover Article) http://dx.doi.org/10.1039/b906642j
See other publications by users of the 900 NMR Facility here
Dear NMR Facility Users:
we are preparing our 2008-2009 Annual Report, and we would like to receive the following information from you by the end of August:
1) a brief progress report for each of your research projects. Please prepare a separate report for each project, regardless of whether the project has ended or not. Each report should illustrate for non-NMR specialists major project findings and should normally not exceed one-two pages (text and figures) (preferably MS Word format, or an ASCII text + figures separately). Selected progress reports will be included in the printed version of the Annual Report (previous reports)
2) all 2008-2009 research publications featuring results from the 900 instrument (published, accepted, submitted)
3) invited lectures and oral presentations in 2008-2009
4) poster presentations in 2008-2009
5) 2008-2009 : Honor thesis, Ph.D. thesis and similar works by your students using the 900 results (please indicate name of the student, department, title of thesis, date of the defense)
6) any other relevant information you may consider useful including in our report
Let me know if any questions, and thank you for your contribution!
On behalf of the Facility Steering Committee,
Victor
Terskikh (E-mail)
The
annual meeting of the Facility International Advisory Board took place in
Ottawa on May 11, 2009.
the 900 team (left to right): Victor Terskikh (NMR Facility), John Ripmeester (NRC-SIMS), Marek Pruski (Ames Laboratory, Iowa State University), Timothy Cross (National High Magnetic Field Laboratory, Tallahassee), Michèle Auger (Université Laval), Arno Kentgens (Radboud University, Nijmegen), David Bryce (University of Ottawa), Roderick Wasylishen (University of Alberta), Yining Huang (University of Western Ontario). Not pictured: Jamie Bennett (NRC-SIMS), Eric Ye (NMR Facility), Paul Morris (NMR Facility).
A
WURST-QCPMG NMR technique has recently been introduced by Luke O'Dell and
Rob Schurko (Windsor)
to achieve uniform excitation of quadrupolar nuclei across very wide bandwidth.
Using this approach wideline spectra of stationary samples can now be acquired
with no need or just minimal transmitter frequency adjustment. The spectrum
shown was acquired in about 1 hour by co-adding 10 individual pieces. Experiments
were performed by Luke O'Dell, who also kindly provided the WURST-QCPMG
pulse sequence for the 900 MHz NMR instrument. This pulse program is now
available to our users. For more information about WURST-QCPMG:
L.A. O'Dell and R.W. Schurko, "QCPMG Using Adiabatic Pulses for Faster Acquisition of Ultra-Wideline NMR Spectra," Chem. Phys. Lett. 464 (2008) 97-102. http://dx.doi.org/10.1016/j.cplett.2008.08.095
Another
milestone has been reached with the publication of the 50th peer-reviewed
paper featuring results obtained on the Facility's 900 MHz NMR instrument.
The paper just accepted by the Journal of Physical Chemistry deals
with 47/49-Ti NMR in layered titanium phosphates. Titanium NMR is notoriously
difficult in solid state, yet using the Facility's unique resources this challenging
task has been successfully tackled by a team of researchers from the University
of Western Ontario and the University of Ottawa.
Jianfeng Zhu, Nick Trefiak, Tom Woo, Yining Huang, "A 47/49Ti Solid-State NMR Study of Layered Titanium Phosphates at Ultrahigh Magnetic Field," Journal of Physical Chemistry C 113 (2009) 10029–10037. http://dx.doi.org/10.1021/jp901235w
Kudos to them and to all our users who continue to impress the international NMR community with the high level of solid-state NMR research in Canada.
See other research publications enabled by the Facility here.
The
National Ultrahigh-Field NMR Facility for Solids is very pleased to announce
that our application to NSERC for continued Major Resources Support (MRS)
funding has been successful. Funding has been approved at a level of $88,600
per year for each of the next five years. This award is critical to the
ongoing operations of the facility. The funding also means that the Facility
will be able to continue to provide travel grants for users, increase outreach
activities, hold annual workshops, and sponsor regional NMR meetings. I
would like to thank Victor Terskikh for his outstanding contributions to
the operation of the Facility and also to the preparation of the grant proposal.
Thanks also to all co-applicants on the proposal: John Ripmeester, Rod Wasylishen,
Christian Detellier, Michèle Auger, Yining Huang, Rob Schurko, Scott
Kroeker, Gillian Goward, Gang Wu, and Simon Sharpe.
David Bryce, chair of the Facility Steering Committee
The
National Ultrahigh-Field NMR Facility for Solids wishes to extend its sincere
thanks to the outgoing members of our International Advisory Board (IAB)
serving in 2005-2008. Over the past three years, Prof. Jean-Paul Amoureux
(Lille, France), Dr. Paul Ellis (PNNL, USA), and Prof. Mark Smith
(Warwick, UK) have provided the Steering Committee with invaluable input
and advice on facility operations and helped keep us abreast of new opportunities.
The Facility is proud to announce that Dr. Mona Nemer, the Vice-President
(Research) of the University of Ottawa, and Dr. Pierre Coulombe, the President
of the National Research Council Canada, have jointly appointed Prof.
Timothy Cross (Florida, USA), Prof. Arno Kentgens (Nijmegen,
The Netherlands), and Prof. Marek Pruski (Iowa, USA) to serve on
the IAB for the next three years.
Prof.
Cross is the NMR Spectroscopy and Imaging Program Director at the
National High Magnetic Field Laboratory in Tallahassee. Prof.
Kentgens is the Head of the Dutch National Solid-State NMR Facility
for Advanced Materials Science. Prof.
Pruski is a Senior Scientist in the Ames Laboratory at Iowa State
University. We look forward to the suggestions and recommendations of these
highly distinguished NMR experts to keep the Facility at the forefront of
solid-state NMR research.
Our
latest acquisition is the flat-coil probe built by Bruker U.S.A for experiments
with biological samples oriented on glass plates. This probe features Bruker's
E-free design for proton decoupling, and has four r.f. channels, 1H/13C/(15N,
31P). The flat-coil size is 7x3 mm. The probe has recently been tested in
PISEMA experiments with 15N-labeled N-acetyl valine, NAV (shown, experiments
performed by M. Monette, Bruker). Polarization Inversion Spin Exchange at
the Magic Angle (PISEMA) technique finds applications in correlation experiments
and is used for accurate measurements of chemical shift and heteronuclear
dipolar interactions (see Annual Reports on NMR Spectroscopy, 2004,
volume 52, p.1-52).
2007-2008
Annual ReportNovember 22, 2008
2007-2008 Annual Report of the 900 NMR Facility is posted online and is available for download. We will start mailing printed copies shortly.
We would like to take this opportunity to thank those who contributed to this report, as well as our partners and funding agencies for their continuing support.
Two
new NMR probes have been recently added to a growing array of tools at the
900 Facility. The previously announced 4 mm CP/MAS 1H/13C/15N probe has passed
its first tests in mapping 13C-15N REDOR distances, as in this experiment
with Glycine performed by Eric Ye (the 900 Facility).
The second probe is a flat-coil E-free probe built by Bruker U.S.A for experiments
with biological samples oriented on glass plates. The probe is equipped with
four r.f. channels, 1H/13C/15N/31P and is scheduled for testing. All probes
from our unique probe collection are readily available
to the Facility users. Please enquire.
This recent paper describes the design and security features of the SpectroGrid remote access system.
A.
Charbonneau, V. Terskikh, "SpectroGrid:
Providing Simple Secure Remote Access to Scientific Instruments,"
22nd International Symposium on High Performance Computing Systems and Applications,
9-11 June 2008, IEEE HPCS (2008) 76-82. http://dx.doi.org/10.1109/HPCS.2008.17
For the latest information about SpectroGrid follow this link (external)
It
has been three years since the 900 Instrument is up and running. Quite busy
and successful years too ! We would like to congratulate our users, partners,
and sponsors with this milestone.
You
will find the 900 installation pictures here.
Our congratulations to Eric Ye, who successfully defended his Ph.D. thesis "Studies of Proton Conductors Based on Nafion and Sulfonated Polyether Ether Ketone (S-PEEK) Using High-resolution Solid State NMR" (McMaster University, research supervisor Gillian Goward).
See some of Eric's publications here.
Thank
you all who contributed their photos !
A research paper by our colleagues from NRC featuring results from the 900 instrument
makes the cover of Physical Chemistry Chemical Physics. Congratulations
!
Darren H. Brouwer, Saman Alavi and John A. Ripmeester, "NMR Crystallography of p-tert-Butylcalix[4]arene Host-Guest Complexes Using 1H Complexation-Induced Chemical Shifts," Physical Chemistry Chemical Physics 10 (2008) 3857-3860. (Cover Article) http://dx.doi.org/10.1039/b805326j
Designation
of the 900 NMR Facility as a National Facility has now been officially
confirmed by the Canada Foundation for Innovation (CFI). Congratulations to
all our users and clients from 18 Canadian universities and four NRC Institutes
in eight provinces across the country (British Columbia, Alberta, Saskatchewan,
Manitoba, Ontario, Quebec, Nova Scotia and New Brunswick) who have contributed
to this success !
Fulfilling
our promise to the Canadian NMR community, we are pleased to announce that
the 900 MHz NMR instrument is now remotely- accessible from virtually everywhere
in Canada. This exciting for many of our users option has become reality as
a part of the SpectroGrid project developed and supported by the National
Research Council Canada (more).
Pictured: SpectroGrid2 client is being used from the University of Alberta in Edmonton to remotely acquire spectra on the 900 MHz NMR instrument located in Ottawa, 2840 km apart (May 22, 2008).
Credits and contacts : Andre Charbonneau, IMSB NRC
For the latest information about SpectroGrid follow this link (external)
A. Charbonneau, V. Terskikh, "SpectroGrid: Providing Simple Secure Remote Access to Scientific Instruments," 22nd International Symposium on High Performance Computing Systems and Applications, 9-11 June 2008, IEEE HPCS (2008) 76-82. http://dx.doi.org/10.1109/HPCS.2008.17
We are glad to welcome Gang (Eric) Ye who has joined the 900 team as an NMR Facility technician. Many of you will have a chance to greet Eric personally while visiting our Facility in coming months. Eric is currently finalizing his Ph.D. in solid-state NMR with Gillian Goward at McMaster.
Very
Fast MAS ! (March
19, 2008)
Our latest acquisition, a 1.3 mm 1H/13C-15N CP/MAS probe designed and built by Bruker Biospin is the fastest MAS probe available today. A fitting probe for the strongest NMR magnet ! Test spectra obtained with this probe are posted here.
http://www.bruker-biospin.com/veryfast_mas.html
New
NMR probeFebruary 10, 2008
A triple resonance Bruker Biosolids H/C/N CP/MAS (4 mm) probe has been delivered and is undergoing performance tests. See our other probes here.
Modern
Magnetic Resonance (in 3 volumes)January 24, 2008
New
addition to the 900 library, this up-to-date comprehensive resource on magnetic
resonance techniques in chemistry, biology, materials, food, medicine, pharmaceuticals
and marine sciences, is now available for our users and visitors (see
Table of contents here, external link).
December
21, 2007
Olga
B. Lapina, Dzhalil F. Khabibulin, Alexander A. Shubin, and Victor V. Terskikh,
"Practical Aspects of 51V and 93Nb Solid-State NMR Spectroscopy and
Applications to Oxide Materials," Progress in Nuclear Magnetic Resonance
Spectroscopy (2008) in press. (invited review)
http://dx.doi.org/10.1016/j.pnmrs.2007.12.001
See our other publications here
December 2, 2007
We
are celebrating together with David Bryce and his colleagues the first
publication in Angewandte Chemie featuring results from the
900 instrument. Well done, Dave!
Patrick Crewdson, David L. Bryce, Frank Rominger, and Peter Hofmann, "Application
of 59Co Solid-State NMR in the First Spectroscopic Investigations of the [Co(C8H13)(C4H6)]
1,2-Polybutadiene Catalyst," Angewandte
Chemie Int. Ed.
27 (2008) 1690–1701. http://dx.doi.org/10.1002/anie.200705204
David
Bryce (University of Ottawa) (external
link)
See our other publications here
more details and the Workshop program here
November
6, 2007
Caffeine paper makes another headline, now as a distillate in "Education
in Chemistry" (RSC publication). Read the full story here
(external link).
Gary D. Enright, Victor V. Terskikh, Darren H. Brouwer and John A. Ripmeester,
"The structure of two anhydrous polymorphs of caffeine from single crystal
diffraction and high field solid-state 13C NMR," Crystal Growth and
Design 8 (2007) 1406-1410. (cover article) http://dx.doi.org/10.1021/cg070291o
see our other publications here
Another benchmark is passed !
November 1, 2007
In the month of October the number of visits per month to the 900 web-site has surpassed 1000, with the total monthly bandwidth traffic reaching almost 500 MB. Another indication of our growing popularity is increasing presence of our web-site in Google search results of everything concerning NMR, from "NMR jobs" to "NMR applications".
Don't miss this opportunity to let your colleagues across Canada and abroad know latest about your NMR Facility or your research group. Simply forward us information you want posted under your profile in our Canadian Solid-State NMR Directory.
Also welcome are any NMR-related announcements of importance for NMR community, NMR news and job postings.
2006-2007
Annual Report
October 15, 2006
2006-2007 Annual Report is now available for download.
We would like to thank everyone who contributed to our report this year, and
we are looking forward your future contributions.
October 1, 2007
The 900 Steering Committee is very glad to announce a travel support program for researchers visiting the 900 Facility. Starting in October students and young scientists from Canadian Universities may apply for a travel stipend towards full or partial reimbursement of their travel expenses. All requests should be submitted by a supervisor in advance of the trip and include a cost estimate. Requests should be forwarded to the Facility manager for review and approval by the Steering Committee.
Please also note that the 900 NMR user policies have been revised. Use only this latest version for your reference, in particular regarding the proper acknowledgement of the Facility.
September
1, 2007
Our caffeine research is highlighted by one of the leading NMR-resources on
the web ! Read the full story here
(external link).
Gary
D. Enright, Victor V. Terskikh, Darren H. Brouwer and John A. Ripmeester,
"The structure of two anhydrous polymorphs of caffeine from single crystal
diffraction and high field solid-state 13C NMR," Crystal Growth and
Design 8 (2007) 1406-1410. (cover article) http://dx.doi.org/10.1021/cg070291o
see our other publications here
August
14, 2007
Our congratulations to Gang Wu on publishing a review article in this very
prestigious NMR journal !
Gang
Wu, "Solid-State 17O NMR Studies of Organic and Biological Molecules,"
Progress in Nuclear Magnetic Resonance Spectroscopy 52
(2008) 118-169. (review article) http://dx.doi.org/10.1016/j.pnmrs.2007.07.004
more about Gang's research on our website here
August
1, 2007
And yet another cover for the 900 ! Congratualtions to our colleagues from
NRC-SIMS!
Gary
D. Enright, Victor V. Terskikh, Darren H. Brouwer and John A. Ripmeester,
"The structure of two anhydrous polymorphs of caffeine from single crystal
diffraction and high field solid-state 13C NMR," Crystal Growth and
Design 8 (2007) 1406-1410. (cover article) http://dx.doi.org/10.1021/cg070291o
see our other publications here
June 24 , 2007
Today
we have added another nucleus, 139La, to our insignia. With this latest addition,
the total nuclei count on the 900 is now 50 ! We are very proud to be a true
multinuclear NMR facility for solids. The
full list of nuclei already run on the 900 can be found here.
April 20 , 2007
First phase of the project: "Solid-State NMR in Canada" web-pages are being populated (link). Don't miss this opportunity to let your colleagues across Canada and abroad know latest about your Solid-State NMR Facility. Simply forward us information you want posted on our web-pages under your profile. See examples for the University of Ottawa and NRC. Any suggestions or ideas about this project are welcome.
Find more about this project on page 20 of our 2005-2006 Annual Report
February
27, 2007
The 900 Instrument is featured on the cover again! Our congratulations to
Kirk
Feindel, Kris Ooms, and Rod
Wasylishen from the University of Alberta
!
Kirk
W. Feindel, Kristopher J. Ooms, and Roderick E. Wasylishen, "A solid-state
55Mn NMR spectroscopy and DFT investigation of manganese pentacarbonyl compounds,"
Physical Chemistry Chemical Physics 9 (2007) 1226-1238.
http://dx.doi.org/10.1039/b616821c
NMR
Encyclopedia has arrived !
January 19, 2007
We
are glad to present you our latest acquisition - the nine volume set of the
Encyclopedia of Nuclear Magnetic Resonance. This Encyclopedia is a wonderful
concourse of NMR knowledge and history, and it is now available to our users
and visitors (Table of
Contents, pdf file, 848 kB).
December 7, 2006
Another milestone for our Facility ! Our first publication in the Journal of Magnetic Resonance. Congratulations to Darren Brouwer and John Ripmeester from SIMS NRC on this achievement (see "publications"). In his work on the 900 Darren is developing advanced pulse sequences to squeeze the most from 1H NMR spectra of solids. See some of his results on our Featured NMR Spectra page.
November 21, 2006
We are very proud to announce total three new research papers featuring results from the 900 instrument, all accepted for publication in Journal of Physical Chemistry (see "publications") :
The first paper is by Dave Bryce and Samyuktha Adiga from the University of Ottawa and their colleagues from the Washington University School of Medicine on cation-pi interactions studied via solid-state 23Na NMR. These interactions are important for example in biomolecular recognition by proteins, peptide stability, and protein-DNA interactions. Authors have brilliantly demonstrated usefulness of 23Na NMR at high magnetic fields to study such interactions.
The second paper is by Igor' Moudrakovski and John Ripmeester from SIMS NRC. They have performed a systematic 39K NMR study of solid potassium salts and underlying effects of quadrupolar and chemical shift tensors. No doubt this paper will be a very useful reference for everyone working with potassium, would it be in biological assemblies and membranes, or in catalytic systems for partial oxidation.
The third paper is also from the University of Ottawa by Dave Bryce and Gregory Sward. There they report new 35Cl and 37Cl NMR data for a variety of solid amino acid hydrochlorides. Not only of general interest for any solid-state NMR researcher, these new results will have significant impact on future studies of chloride ion channels.
Our sincere congratulations !
2005-2006
Annual Report
November 1, 2006
2005-2006 Annual Report is now available for download.
Should you require a printed copy of this report, please forward your mailing
address to the Facility manager.
October
9, 2006
Our congratulations to Kris
Ooms, Kirk Feindel, and Rod
Wasylishen from the University of Alberta,
and to Victor Terskikh from the University of Ottawa. Their recent work on
the 900 instrument, and the instrument itself, are featured on the cover of
Inorganic Chemistry!
Kristopher J. Ooms, Kirk W. Feindel, Victor V. Terskikh, and Roderick E. Wasylishen, "Ultrahigh-Field NMR Spectroscopy of Quadrupolar Transition Metals: 55Mn of Several Solid Manganese Carbonyls," Inorganic Chemistry 45 (2006) 8492 - 8499.