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McKay, Ryan (NMR Facility, Chemistry)

Spyracopoulos, Leo (Department of Biochemistry)

Sykes, Brian (Department of Biochemistry)

Vederas, John (Department of Chemistry)

Wasylishen, Roderick (Department of Chemistry) Solid-State NMR Group

Wishart, David (Computing and Biological Sciences)
 

HMDB Human Metabolome Database

UMDB Urine Metabolome Database

NANUC

NMR Facility (Department of Chemistry)

Peter S. Allen MR Research Centre

PROSESS webserver

YMDB the Yeast Metabolome Database


Theses Defenses (March 10/14)

Rosha Teymoori (University of Alberta) March 7, 2014
Supervisor: Prof. Roderick Wasylishen (Alberta)
Ph.D. Chemistry: "Solid-State Nuclear Magnetic Resonance and Computational Investigations of Half-Integer Quadrupolar Nuclei"


Theses Defenses (Jan 22/14)

Piotr Garbacz (University of Warsaw) December 2013
Supervisors: Prof. Karol Jackowski (Warsaw), Prof. Roderick Wasylishen (Alberta)
Ph.D. Chemistry: "NMR Studies of Magnetic Shielding in Gaseous Hydrogen and Solid Iridium Hydrides"
http://depotuw.ceon.pl/handle/item/433

Encyclopedia of Magnetic Resonance: new entries (Dec 16/13)NMR in crystallography

eMagRes
(2013) volume 2, issue 4

A. Sutrisno, A.J. Simpson, "Metals in the Environment," eMagRes 2 (2013) 467–476. http://dx.doi.org/10.1002/9780470034590.emrstm1347

P.J. Mitchell, A.J. Simpson, M.J. Simpson, "Dissolved Organic Matter," eMagRes 2 (2013) 503–516. http://dx.doi.org/10.1002/9780470034590.emrstm1348

S. Booth, R.J. Turner, A. Weljie, "Metabolomics in Environmental Microbiology," eMagRes 2 (2013) 517–528. http://dx.doi.org/10.1002/9780470034590.emrstm1335

M.J. Simpson, D.W. Bearden, "Environmental Metabolomics: NMR Techniques," eMagRes 2 (2013) 549–560. http://dx.doi.org/10.1002/9780470034590.emrstm1352

S.A. Quideau, C.E. Norris, L.N. Soucémarianadin, R.E. Wasylishen, "Forest Ecology and Soils," eMagRes 2 (2013) 597–608. http://dx.doi.org/10.1002/9780470034590.emrstm1339


CrystEngComm themed issue on NMR Crystallography (Oct 17/13)
 
NMR in crystallography

CrystEngComm

Themed issue: NMR in crystallography

issue 43, 21 November 2013, Page 8589 to 8850

guest-edited by John A. Ripmeester (NRC) and Roderick E. Wasylishen (Alberta)

Canadian contributions

J.A. Ripmeester and R.E. Wasylishen, "NMR crystallography," (Editorial) CrystEngComm 15 (2013) 8598-8598.
http://dx.doi.org/10.1039/c3ce90151c

 
900L. O'Dell, R. He and J. Pandohee, "Identifying H-N proximities in solid-state NMR using 14N overtone irradiation under fast MAS," CrystEngComm 15 (2013) 8657-8667. (Cover Article) http://dx.doi.org/10.1039/c3ce40967h
 
F.A. Perras, I. Korobkov and D.L. Bryce, "NMR Crystallography of Sodium Diphosphates: Combining Dipolar, Shielding, Quadrupolar, Diffraction, and Computational Information," CrystEngComm 15 (2013) 8727-8738. http://dx.doi.org/10.1039/c3ce40875b
 
900B. Zhou, V.K. Michaelis, S. Kroeker, J.E.C. Wren, Y. Yao, B.L. Sherriff, and Y. Pan, "11B and 23Na Solid-State NMR and Density Functional Theory Studies of Electric Field Gradients at Boron Sites in Ulexite," CrystEngComm 15 (2013) 8739-8747. http://dx.doi.org/10.1039/c3ce41251b
 
D.H. Brouwer and K.P. Langendoen, "A graph theory approach to structure solution of network materials from two-dimensional solidstate NMR data," CrystEngComm 15 (2013) 8748-8762.
http://dx.doi.org/10.1039/c3ce41058g
 
900P.J. Pallister, I.L. Moudrakovski, G.D. Enright and J.A. Ripmeester, "Structural assessment of anhydrous sulfates with high field 33S solid state NMR and first principles calculations," CrystEngComm 15 (2013) 8808-8822.
http://dx.doi.org/10.1039/c3ce41233d
 

Thesis Defenses (July 24/13)

Laure Soucémarianadin (University of Alberta) July 2013
Supervisors: Prof. Sylvie Quideau (Renewable Resources) and Prof. Rod Wasylishen (Chemistry)
Ph.D. thesis: "Black Carbon in Quebec Boreal Black Spruce Forests"

Recognition: Rod Wasylishen (March 22/13)

Professor Roderick Wasylishen (University of Alberta) has been awarded the 2013 Kaplan Award for Excellence in Research, the most prestigious University of Alberta research award.

Kaplan Award: Chemistry pioneer shows researchers ‘The Wasylishen Way’, By Michael Brown, March 22, 2013 http://www.research.ualberta.ca/

Rod Wasylishen

The award recognizes and honours faculty members
(i) whose research contributions, both fundamental and applied, add significantly to our knowledge base,
(ii) who are recognized nationally and internationally for what they have accomplished as scholars, and
(iii) who set a standard of excellence for other University of Alberta faculty, graduate and undergraduate students, and for the community-at-
large.

http://www.research.ualberta.ca/OurWork/RecognitionandAwards.aspx

NMR paper in Nature Scientific Reports (Oct 16/12)

C.E. Norris, S.A. Quideau, S.M. Landhäusser, G.M. Bernard and R.E. Wasylishen, "Tracking Stable Isotope Enrichment in Tree Seedlings with Solid-State NMR Spectroscopy," Nature Scientific Reports 2 (2012) 719.
http://dx.doi.org/10.1038/srep00719


Encyclopedia of NMR

Encyclopedia of NMR

Editors-in-Chief:
Robin K. Harris and Roderick E. Wasylishen
Hardcover: 6240 pages
Publisher: Wiley; October 2012
Language: English
ISBN: 978-0470058213
http://www.amazon.com/dp/0470058218
http://www.amazon.ca/dp/0470058218

Wiley: Encyclopedia of NMR - Encompassing all relevant areas for NMR science and technology and applications in physics, chemistry and biology.

http://ca.wiley.com/WileyCDA/WileyTitle/productCd-0470058218.html

This new 10 volume set captures every aspect of the interdisciplinary nature of magnetic resonance and provides the most complete and up-to-date source in the field. It includes many articles from the print editions of Encyclopedia of Nuclear Magnetic Resonance and recent EMR Books, as well as new and updated articles published online in the Encyclopedia of Magnetic Resonance.

Covering key developments such as:
• New techniques
• Protein structures
• Dynamics of molecular processes
• Characterization of materials, polymers and nano-materials
• NMR crystallography
• Solid biological samples such as membranes

Features
• Easy to access information - Covering all the techniques and applications in general NMR areas in an A-Z format
• Use as a learning tool - Revisit basics as well as get up-to-date with the latest methods and thinking
• Use in day-to-day work in the lab - Discover information on new techniques and applications, take advantage of useful hints and tips
• Short biographies of contributing authors - Showing the link between the career and the expertise of the contributing scientists
• Perspectives and personal recollections - A look back at major adventures, evolution and developments that have shaped the field, alongside leading researchers who share their personal involvements with NMR and MRI

Encyclopedia of NMR includes:
• Many original and updated articles from the print edition of Encyclopedia of Nuclear Magnetic Resonance (1996)
• Articles from EMR Books - special handbooks covering hot topic areas
• Additional NMR-focused articles published online in the Encyclopedia of Magnetic Resonance - the updating online resource

Currently available online for libraries and institutions as the Encyclopedia of Magnetic Resonance, the online edition will be relaunched in January 2013 as eMagRes with a range of new features which will make the site more user-friendly and more attractive to both the medical MRI community and to the molecular chemistry, physics and biology communities.

This reference work first published online in 2007, and since that date has been updated four times a year with approximately 10% new or updated content each year across a wide range of topics. As part of the relaunch the content structure will be revised to aid quick navigation for both the medical MRI community and the molecular chemistry, physics and biology communities to articles of interest.

Find out more about the online edition here: http://www.wileyonlinelibrary.com/ref/emr


Human Metabolome Database (HMDB) Version 3.0 (Sept 26/12)

The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. It is intended to be used for applications in metabolomics, clinical chemistry, biomarker discovery and general education.

HMDB is supported by David Wishart, Departments of Computing Science & Biological Sciences, University of Alberta. HMDB is also supported by the Metabolomics Innovation Centre, a Genome Canada-funded core facility serving the scientific community and industry with world-class expertise and cutting-edge technologies in metabolomics. Funding is provided by Genome Alberta and Genome Canada, a not-for-profit organization that is leading Canada's national genomics strategy with $600 million in funding from the federal government.

Just announced version 3.0 of the HMDB has been significantly expanded and enhanced over the 2009 release (version 2.0). In particular, the number of annotated metabolite entries has grown from 6500 to more than 37,166. This enormous expansion is a result of the inclusion of both “Confirmed” metabolites (those with measured concentrations or experimental confirmation of their existence) and “Expected” metabolites (those for which biochemical pathways are known or human intake/exposure is frequent but the compound has yet to be detected in the body). The latest release also has greatly increased the number of metabolites with biofluid or tissue concentration data, the number of compounds with reference spectra and the number of data fields per entry. In addition to this expansion in data quantity, new database visualization tools and new data content has been added or enhanced. These include better spectral viewing tools, more powerful chemical substructure searches, an improved chemical taxonomy and better, more interactive pathway maps. Among other database functions, NMR Search allows users to submit peak lists from 1H or 13C NMR spectra (both pure and mixtures) and to have these peak lists compared to the NMR libraries contained in the HMDB. This allows the identification of metabolites from mixtures via NMR spectroscopy.

For more information visit http://www.hmdb.ca/


Rod Wasylishen

Recognition: Rod Wasylishen (Aug 11/12)

Professor Roderick Wasylishen (University of Alberta) has been awarded one of the highest accolades in the field of solid-state NMR spectroscopy. Rod has been selected as the 2014 Vaughan Lecturer at the Rocky Mountain Conference on Analytical Chemistry.

The Vaughan lecture series is named in honour of Robert W. Vaughan (1941-1979), an extraordinary scholar and leader in solid-state NMR.

To learn more about the award and to see the list of past Vaughan Lecturers visit the RMCAC website.

New book: NMR of Quadrupolar Nuclei in Solid Materials (Aug 8/12)

NMR of Quadrupolar Nuclei in Solid Materials

NMR of Quadrupolar Nuclei in Solid Materials

edited by Roderick E. Wasylishen, Sharon E. Ashbrook, Stephen Wimperis
Hardcover: 550 pages
Publisher: Wiley; August 2012
Language: English
ISBN: 978-0470973981
http://www.amazon.com/dp/0470973986
http://www.amazon.ca/dp/0470973986

Wiley: Many important materials do not contain spin-1/2 nuclei traditionally investigated by NMR spectroscopy and secondly, dissolving solid materials in a solvent may be impossible or may destroy the integrity of the material. All these obstacles can be overcome by NMR experiments at high-magnetic field strengths and investigating the properties of quadrupolar nuclei.

This Handbook gives an up-to-date account of NMR of quadrupoloar nuclei in the solid state. Each chapter of the Handbook has been prepared by an expert who has made significant contributions to our understanding and appreciation of the importance of NMR studies of quadrupolar nuclei in solids.

The text is divided into three Parts:

A) Basic Principles of Quadrupolar NMR
B) Advanced Solid-State NMR Techniques to Investigate Quadrupolar Nuclei C) Applications Involving NMR Studies of Quadrupolar Nuclei in Solids.

The first section provides the reader with the background necessary to appreciate the challenges in acquiring and interpreting NMR spectra of quadrupolar nuclei in solids. The second section presents cutting-edge techniques and methodology for employing these spectroscopic techniques to investigate quadrupolar nuclei in solids. The final section explores applications of solid-state NMR studies of solids ranging from investigations of biological samples to porous materials, catalysts, geological samples and high-temperature superconductors.

All these articles will be published on EMR: http://onlinelibrary.wiley.com/book/10.1002/9780470034590

Table of contents:
http://ca.wiley.com/WileyCDA/WileyTitle/productCd-0470973986,descCd-tableOfContents.html


NMR Laboratory Supervisor, Department of Chemistry, University of Alberta (March 12/12)

Competition No. A104910984D1
Closing Date - Will remain open until filled

The Department of Chemistry at the University of Alberta invites applications for a Faculty Service Officer (FSO) Level II or III position.

Reporting to the Chair of the department, the NMR Laboratory Supervisor is responsible for the management and planning of a multimillion dollar, state-of-the-art Nuclear Magnetic Resonance (NMR) Facility. For more information visit http://www.chem.ualberta.ca

This FSO position will oversee the day-to-day operation of the facility, coach and mentor staff and instruct users involved in NMR spectroscopic studies as the facility is used for both research and teaching purposes. The scope of NMR research is very wide; from biomolecules to inorganic complexes. The NMR facility and its staff measure approximately 2,500 research samples per year. This position will be directly involved in collaborative or independent research utilizing NMR, will work in close collaboration with key faculty members and will also have significant interactions with external users, equipment manufacturers and other related facilities on campus.

Applicants must hold a PhD in Chemistry or a related field combined with six or more years of relevant experience in NMR. The successful candidate will have demonstrated experience and knowledge of a broad spectrum of NMR techniques and their applicability to problems that are encountered by both researchers and students. Managerial experience is considered an asset. Interested individuals should submit their Curriculum Vitae and three letters of reference to the address below; review of application will begin on March 12, 2012 however the competition will remain open until filled.

In accordance with the Faculty Service Officer agreement, this position offers a comprehensive benefits package which can be viewed at http://www.hrs.ualberta.ca

For more information and to apply online
http://www.careers.ualberta.ca/Competition/A104910984D1/

Dr. D. Jed Harrison, Chair
Department of Chemistry
E3-38 Chemistry Centre
11227 Saskatchewan Drive
University of Alberta
Edmonton AB T6G 2G2

Email: chair "at" chem.ualberta.ca
Fax: (780) 492-8231

All qualified candidates are encouraged to apply; however, Canadians and permanent residents will be given priority.

The University of Alberta hires on the basis of merit. We are committed to the principle of equity in employment. We welcome diversity and encourage applications from all qualified women and men, including persons with disabilities, members of visible minorities, and Aboriginal persons.


NANUC 2012 Biomolecular NMR BootCamp (March 6/12)

NANUC 2012 Biomolecular NMR BootCamp will be hosted by the NMR Facility in Chemistry at the University of Toronto, June 4th to 9th, 2012 on campus.

Our keynote lecturer this year is Prof. Chad Reinstra (UIUC) on BioSolids NMR. We will have Dr. Frank Delaglio (NIDDK, NIH) for the NMRPipe Suite; Dr. Nico Tjandra (LBPC, NIH) with Dynamics and Relaxation; Dr. Bruce Johnson (UMBC) on NMRView; Dr. Charles Schwieters (ISL, NIH) demonstrating Xplor-NIH, and one day on pulse sequence programming (Agilent/Bruker).

For more information visit
http://www.nanuc.ca/nmrbootcamp/2012_NMR_BootCamp/Welcome.html

Please mark your calendars,

Tim

--
Timothy Burrow, Ph.D. MBA
Manager, NMR
University of Toronto 416-978-5728

NMR News!
http://nmrweb.chem.utoronto.ca:8084/users/timburrow/
NMR Web pages:
http://www.chem.utoronto.ca/facilities/nmr/nmr.html


Solid-State NMR Symposium at CSC 2012 (Feb 3/12)

Colleagues,

this is a reminder that the CSC 2012 abstract submission deadline is February 15.

On behalf of the organizing committee for the 95th Canadian Chemistry Conference and Exhibition, it is my pleasure to invite you to take part in the "Solid-State NMR" symposium sponsored by the Physical, Theoretical and Computational Division of the Chemical Society of Canada. CSC 2012 will be held in Calgary, May 26-30, 2012. Three half-day sessions will be devoted to the Solid-State NMR symposium tentatively beginning Sunday afternoon, May 27th.

The confirmed invited speakers are Michèle Auger (Laval), Jochen Autscbach (SUNY - Buffalo), Alex Bain (McMaster), Darren Brouwer (Redeemer), David Bryce (Ottawa), Gillian Goward (McMaster), Yining Huang (Western), Scott Kroeker (Manitoba), Andrew MacFarlane (UBC), Karl T. Mueller (PNNL - Richland), Luke O'Dell (NRC Canada), John Ripmeester (NRC Canada), Rob Schurko (Windsor), Victor Terskikh (NRC Canada), Gang Wu (Queen's).

In addition, the conference will feature the usual poster session. Finally, on Saturday, May 26th the National Ultrahigh-Field NMR Facility for Solids and Bruker Canada will be hosting the 7th Annual Solid-State NMR Workshop. I certainly hope that you and your colleagues can attend the workshop.

Please visit the conference web site http://www.csc2012.ca for a full list of symposia and for abstract submission instructions. All abstracts must be submitted on-line by Wednesday, February 15. The Web site also provides information on the many attractions in the Calgary area.

I am looking forward to seeing you in Calgary at the end of May. Very best wishes.

Yours sincerely,

Rod

--
Dr. Roderick E. Wasylishen
Canada Research Chair in Physical Chemistry
Department of Chemistry
Gunning/Lemieux Chemistry Centre
University of Alberta
Edmonton, Alberta
Canada T6G 2G2

Tel: 1-780-492-4336
Lab: 1-780-492-5732
Web: http://ramsey.chem.ualberta.ca


CSC 2012 Call for Papers Now Open (Dec 2/11)

The 95th Canadian Chemistry Conference and Exhibition (CSC2012) will be held in Calgary, Alberta, May 25-30, 2012. This is Canada's largest annual conference devoted to the science and practice of chemistry. This year's conference theme is Energizing Chemistry.

The Call for Papers opened today December 1, 2011 and will close February 15, 2012. Submit your abstract through Hermes Conference Centre via the CSC2012 website. Details are available at http://www.csc2012.ca/2_program/submit_abstract.html

The conference plenary lecturer is Prof. Paul Alivisatos, Director of the Lawrence Berkeley National Laboratory at UC Berkeley. You can view the wide range of symposia representing the "Energizing Chemistry" theme on the CSC2012 website at http://www.csc2012.ca

[VT: for NMR folks, Division of Physical, Theoretical and Computational Chemistry, "Solid-State NMR" Symposium, Organizer: R. Wasylishen, University of Alberta]

We encourage you to forward this notice to your network of colleagues nationally and internationally, to submit your abstracts and to join us in Calgary next May.

Warren Piers, Conference Chair Treasurer
Thomas Baumgartner, Scientific Program Chair


Recognition: Brian Sykes (Oct 7/11)

Brian Sykes, a Distinguished University Professor in the Department of Biochemistry, University of Alberta, has won the 2010 University of Alberta Cup. The University Cup is among the highest honors that the University of Alberta confers on its faculty members. It is awarded in recognition of faculty members who have clearly excelled in both teaching and research. Prof. Sykes was presented with the University Cup at the 2011 Celebrate! ceremony, the university’s annual celebration of teaching, learning and research, held on September 16, 2011 (read the news story).


Canadian eventUniversity of Alberta (Oct 7/11)

Postdoctoral Fellow - Structural Biology of the Ubiquitination Cycle

University of Alberta, Department of Biochemistry

Dr. Leo Spyracopoulos invites applications for a Postdoctoral Fellowship in structural biology of the ubiquitination cycle, with a focus on protein NMR spectroscopy. This is a one-year position, with the possibility of extension. Salary will be commensurate with qualifications and experience.

The Department of Biochemistry offers an intensive, collaborative environment for research in structural biology, housing state-of-the-art research facilities, which include high field 600 and 800 MHz NMR spectrometers.

The successful applicant will be employed primarily to study the structure, dynamics, interactions, and kinetics of proteins and enzymes of the ubiquitination cycle, with an emphasis on determining the molecular basis underlying the recognition of polyubiquitin chains as well as the enzymatic catalysis of ubiquitin chain elongation. Experience with general biochemistry, protein expression and purification, protein NMR spectroscopy, protein structure determination, molecular dynamics simulations, enzyme kinetics, and familiarity with computer programming and software (UNIX, Linux, Mathematica) is an asset. Responsibilities of the postdoctoral fellow include coordinating and completing research projects, training and mentoring graduate students, participating in research discussions, and working closely and cooperatively with other members of the Department involved in structural biology. The postdoctoral fellow will be expected to participate fully in research, publication, and dissemination activities.

Qualified candidates will have a recent Ph.D. in protein NMR spectroscopy or a closely related field. Applications will be accepted from candidates who will complete their doctoral degree within one year. Information about this position can be obtained by contacting Dr. Leo Spyracopoulos (leo.spyracopoulos "at" ualberta.ca).

Applicants should send a letter of application, a curriculum vitae, and an example of published research to Dr. Leo Spyracopoulos by e-mail, or by regular mail:

Dr. Leo Spyracopoulos
Department of Biochemistry
Room 416, Medical Sciences Bldg.,
University of Alberta
Edmonton, Alberta, T6G 2H7
Canada

The University of Alberta welcomes diversity and encourages applications from all qualified women and men, including persons with disabilities, members of visible minorities, and Aboriginal persons.

Additional Information:
Department of Biochemistry: http://www.biochem.ualberta.ca
Postdoctoral Fellows Office: http://www.postdoc.ualberta.ca
the Spyracopoulos lab: http://www.bionmr.ualberta.ca/~lspy/index.html


Canadian eventUniversity of Alberta (Sept 15/11)

Tenure Track Position - Inorganic and Materials Chemistry

The Department of Chemistry at the University of Alberta is seeking an exceptional candidate for a tenure-track faculty position in Inorganic or Materials Chemistry. The starting date is July 1, 2012. The rank for this position is directed at the Assistant or Associate Professor level. Outstanding individuals with research interests in areas of Inorganic Chemistry that complement current expertise in the department are encouraged to apply.

The Department has vibrant research programs encompassing most areas of modern chemistry including structure, dynamics, spectroscopy, synthesis, materials, instrumentation and analysis. We offer access to excellent support facilities with a full range of professionally staffed shops and services including X-ray crystallography, mass spectrometry, high-field NMR spectroscopy, as well as departmental electronic, machine, glassblowing shops and biological services. In addition, new state-of-the-art facilities available on campus include the Centennial Centre for Interdisciplinary Science, National Institute for Nanotechnology, Alberta Centre for Surface Engineering and Science, Micromachining and Nanofabrication Facility (Nanofab), and Integrated Nanosystems Research Facility.

The candidate will have a demonstrated potential for excellence in research and teaching and must hold a PhD. Interested individuals should submit a curriculum vitae, a detailed research proposal, a statement of teaching interests, and arrange to have three confidential letters of reference sent on their behalf.

The application deadline is October 27, 2011. Applications should be sent to:

Professor D. Jed Harrison, Chair (chair "at" chem.ualberta.ca)
Department of Chemistry
University of Alberta
E3-38 Gunning / Lemieux Chemistry Centre
Edmonton, Alberta, Canada T6G 2G2


Canadian Journal of Chemistry, Special Issue Dedicated to Professor R.E. Wasylishen (Sept 6/11)

CJC 2011


Canadian Journal of Chemistry, Volume 89, Number 7 (2011) (part 1 of 2)
http://www.nrcresearchpress.com/toc/cjc/89/7

Canadian Journal of Chemistry, Volume 89, Number 9 (2011) (part 2 of 2)
http://www.nrcresearchpress.com/toc/cjc/89/9

David Bryce, Gang Wu, Yining Huang, "Tribute: Professor Roderick E. Wasylishen," Canadian Journal of Chemistry 89 (2011) xi-xvi. (Special Issue) http://dx.doi.org/10.1139/v11-067



NMR investigations of metabolomics (July 3/11)

JBNMR

Special issue of Journal of Biomolecular NMR guest edited by Brian D. Sykes (University of Alberta), volume 49, numbers 3-4, April 2011.

B.D. Sykes, Journal of Biomolecular NMR 49 (2011) 163-164. (Editorial) http://dx.doi.org/10.1007/s10858-011-9479-3

G.E. Duggan, B.J. Miller, F.R. Jirik, H.J. Vogel, "Metabolic profiling of vitamin C deficiency in Gulo-/- mice using proton NMR spectroscopy," Journal of Biomolecular NMR 49 (2011) 165-173. http://dx.doi.org/10.1007/s10858-011-9485-5

P. Mercier, M.J. Lewis, D. Chang, D. Baker, D.S. Wishart, "Towards automatic metabolomic profiling of high-resolution one-dimensional proton NMR spectra," Journal of Biomolecular NMR 49 (2011) 307-323. http://dx.doi.org/10.1007/s10858-011-9480-x


SIMS Seminar (May 25/11)

Steacie Institute for Molecular Sciences Colloquium Series
Speaker: Dr. Roderick E. Wasylishen, University of Alberta
Date: June 3rd, 2011
Time: 10:30 am
Location: Rm 3001, 100 Sussex Drive
Visitors from outside NRC are asked to register in advance. Please send email to [shan.zou "at" nrc.ca
]

From NMR of Liquids and Gases to Solids - reflections of an ardent fan

Roderick E. Wasylishen

Gunning-Lemieux Chemistry Centre, University of Alberta, Edmonton, Alberta, T6G 2G2

Nuclear magnetic resonance spectroscopy is arguably the most powerful and diverse research tool available to scientists. NMR may be used to investigate atoms or molecules in the gaseous, liquid or solid state and has many useful applications. For example, the NMR technique can be used to map water density in the human body (MRI) or in fuel cells, measure hemodynamic response related to neural activity in the human brain (functional MRI), probe the three-dimensional structure of biological macromolecules in solids and liquids, assist synthetic chemists during the preparation of complex organometallic catalysts, provide information about the structure of solid materials that are not amenable to X-ray diffraction, and characterize hydrocarbon reservoirs in situ (NMR well logging). I first became fascinated by NMR spectroscopy because of the tight link between spectroscopy and quantum theory; one could analyze complex high-resolution NMR spectra using relatively simple quantum mechanical procedures. In this presentation I will review some of the progress in the field of NMR and focus on recent efforts to investigate little-studied and considered difficult quadrupolar nuclei such as 69/71Ga, 75As, 87Sr, 113/115In, and 121/123Sb via solid-state NMR. While NMR studies of such isotopes remain challenging, the use of moderate to high magnetic field strengths together with various signal enhancement techniques makes these studies feasible and is leading to interesting applications in inorganic and organometallic chemistry. I will provide a brief tour of the NMR periodic table as it pertains to non-integer spin quadrupolar nuclei, focusing on the importance of using high magnetic field strengths.


Recognition: Rod Wasylishen (updated June 21/11)

Prof. Roderick Wasylishen (University of Alberta) has been awarded the 2011 EAS Award for Outstanding Achievements in Magnetic Resonance. The Eastern Analytical Symposium (EAS) awards honour analytical chemists who have distinguished career achievements and advanced their fields by superior work in developing theory, techniques or instrumentation.

The 2011 EAS award will be presented at the 50th Eastern Analytical Symposium and Exposition, November 14-17, 2011, Somerset, New Jersey. The award session has been organized by Cecil Dybowski (Delaware) and will include talks by John Ripmeester (NRC Canada), Marek Pruski (Ames Laboratory), Karl Mueller (PNL), Robert Schurko (Windsor), Gang Wu (Queen’s), David Bryce (Ottawa), and Roderick Wasylishen (Alberta).

For more information: http://www.eas.org/

Prof. Roderick Wasylishen is spending his sabbatical (February-June 2011) in Ottawa, at NRC's Steacie Institute for Molecular Sciences and the National Ultrahigh-Field NMR Facility for Solids.
Rod Wasylishen
Photo (L-R): Luke O'Dell, Jamie Bennett, Andreas Brinkmann, Rod Wasylishen, Igor Moudrakovski, Victor Terskikh, Eric Ye.


PCCP lists 25 most cited Canadian research articles (April 17/11)

Physical Chemisty Chemical Physics has announced that the Canadian Society for Chemistry (CSC) is now one of its co-owner societies. To celebrate this new partnership, PCCP has created a collection of 25 top cited articles from authors based in Canada to showcase some of the great Canadian research published in PCCP. Five articles on this list are from Canadian solid-state NMR research groups, including four papers enabled by the National Ultrahigh-Field NMR Facility for Solids.

900C.M. Widdifield and D.L. Bryce, "Crystallographic Structure Refinement with Quadrupolar Nuclei: a Combined Solid-State NMR and GIPAW DFT Example Using MgBr2," Physical Chemistry Chemical Physics 11 (2009) 7120-7122. http://dx.doi.org/10.1039/b911448n
 
900D.H. Brouwer, S. Alavi and J.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
 
900L.A. O'Dell and R.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. http://dx.doi.org/10.1039/b906114b
 
S. Cadars, D.H. Brouwer and B.F. Chmelka, "Probing local structures of siliceous zeolite frameworks by solid-state NMR and first-principles calculations of 29Si–O–29Si scalar couplings," Physical Chemistry Chemical Physics 11 (2009) 1825-1837. http://dx.doi.org/10.1039/b815361b
 

900M.A.M. Forgeron and R.E. Wasylishen, "Molybdenum magnetic shielding and quadrupolar tensors for a series of molybdate salts: a solid-state 95Mo NMR study," Physical Chemistry Chemical Physics 10 (2008) 574-581. http://dx.doi.org/10.1039/b713276j
 


Canadian eventUniversity of Alberta, Edmonton (March 25/11)

Faculty Position, Proteomics/Metabolomics and Structural Biology of Human Disease
Faculty of Medicine & Dentistry - Department of Biochemistry
Competition No. - A104413899
Closing Date - Will remain open until filled.

The Department of Biochemistry in the Faculty of Medicine and Dentistry invites applications for tenure-track or tenured positions in Functional Proteomics, Metabolomics and the Structural Biology of Proteins involved in human diseases.

The successful candidates will be expected to conduct research, teach undergraduate and graduate students, supervise graduate students and post-doctoral fellows and seek external funding. Priority will be given to researchers using proteomics, metabolomics and/or structural biological approaches to address fundamental biological questions. Major areas of strength of the Department and Faculty are in cardiovascular research, diabetes, cancer, cellular and molecular biology, cell signaling, structural biology of proteins and enzymes, lipid biochemistry and membrane biology (see also http://www.biochem.ualberta.ca). New laboratory space will be available within the Katz Research Innovation Facility of the University of Alberta. Significant infrastructure for mass spectrometry, NMR (http://www.nanuc.ca) and X-ray crystallography is already available, and funds from the Canada Foundation for Innovation, the Faculty of Medicine and Dentistry and Province of Alberta have been secured to expand and update existing instrumentation.

Applicants must have a PhD and/or MD, with a track record in the application of proteomics, metabolomics and/or structural biology to molecular discoveries associated with human disease.

Candidates are invited to submit a curriculum vitae, a detailed statement of research program, a sample of published work and the names of three references (who will only be approached with permission). Consideration of applications will commence after April 25, 2011; however, the competition will remain open until the positions are filled.

How to Apply
Mail Dr. Charles Holmes, Professor and Chair
Department of Biochemistry
4-74 Medical Sciences Building
University of Alberta
Edmonton, Alberta, Canada T6G 2H7


For more information see the original post


All qualified candidates are encouraged to apply; however, Canadians and permanent residents will be given priority.
The University of Alberta hires on the basis of merit. We are committed to the principle of equity in employment. We welcome diversity and encourage applications from all qualified women and men, including persons with disabilities, members of visible minorities, and Aboriginal persons.


Canadian eventUniversity of Alberta (March 14/11)

PhD student or Postdoctoral fellow with NMR experience and interest in Microbial Glycobiology

A PhD or postdoctoral position is available immediately at the University of Alberta. The successful candidate will be jointly supervised by Dr. Roderick Wasylishen (Department of Chemistry and Canada Research Chair in Physical Chemistry, web-page) and Dr. Christine Szymanski (Department of Biological Sciences and Alberta Ingenuity Centre for Carbohydrate Science, web-page). The student will be involved in a multidisciplinary project examining bacterial capsular polysaccharides and developing new techniques to examine bacterial-host interactions using high-resolution magic-angle spinning NMR. The NMR Facilities in the Department of Chemistry are well equipped for the collaborative research project. Specifically we have access to a Varian 600 with a nanoprobe for magic-angle spinning experiments. Details of the other NMR spectrometers in the Department can be found at: http://nmr.chem.ualberta.ca/ and http://ramsey.chem.ualberta.ca/

Applicants should have a strong background in NMR and biological chemistry. Knowledge of solid-state NMR, molecular modeling and NMR programming would be an asset.

Interested applicants should send a single PDF document containing a CV, one-page statement of research interests and contact information of three references to (cszymans "at" ualberta.ca).


2011 NMR BootCamp (March 5/11)

NANUC 2011 NMR BootCamp (Biomolecular NMR Training Course)
August 15-20, 2011, University Of Alberta, Edmonton, AB
http://www.nanuc.ca/nmrbootcamp/2011_NMR_BootCamp/Welcome.html


The Human Serum Metabolome (Feb 17/11)

N. Psychogios, D.D. Hau, J. Peng, A.C. Guo, R. Mandal, S. Bouatra, I.
Sinelnikov, R. Krishnamurthy, R. Eisner, B. Gautam, N. Young, J.
Xia, C. Knox, E. Dong, P. Huang, Z. Hollander, T.L. Pedersen, S.R. Smith, F. Bamforth, R. Greiner, B. McManus, J.W. Newman, T. Goodfriend, D.S. Wishart,
"
The Human Serum Metabolome," PLoS ONE 6 (2011) e16957. (open access article) http://dx.doi.org/10.1371/journal.pone.0016957

Abstract: "Continuing improvements in analytical technology along with an increased interest in performing comprehensive, quantitative metabolic profiling, is leading to increased interest pressures within the metabolomics community to develop centralized metabolite reference resources for certain clinically important biofluids, such as cerebrospinal fluid, urine and blood. As part of an ongoing effort to systematically characterize the human metabolome through the Human Metabolome Project, we have undertaken the task of characterizing the human serum metabolome. In doing so, we have combined targeted and non-targeted NMR, GC-MS and LC-MS methods with computer-aided literature mining to identify and quantify a comprehensive, if not absolutely complete, set of metabolites commonly detected and quantified (with today’s technology) in the human serum metabolome. Our use of multiple metabolomics platforms and technologies allowed us to substantially enhance the level of metabolome coverage while critically assessing the relative strengths and weaknesses of these platforms or technologies. Tables containing the complete set of 4229 confirmed and highly probable human serum compounds, their concentrations, related literature references and links to their known disease associations are freely
available at http://www.serummetabolome.ca "

Canadian job University of Alberta (Dec 1/10)

NMR Spectroscopist (closed)
Department of Chemistry
Competition No. - S104913120
Posting Date - Dec 01, 2010
Closing Date - Dec 10, 2010

Position Type - Full Time - Operating Funded
Salary Range - $4,766 to $6,643 per month
Grade - 11 Hours - 35

The Department of Chemistry is a large, complex, teaching and research department with 35 academic staff, each with their own research group, and a compliment of academic, non-academic, postdoctoral, and graduate student components totalling over 400 persons. Part of a team of specialists, this position will provide NMR support to researchers within the Department.

For more information, and to apply online
http://www.careers.ualberta.ca/Competition/S104913120/


Special Issue of the Canadian Journal of Chemistry honouring Rod Wasylishen (August 4/10)

The Canadian Journal of Chemistry, the Canadian Society for Chemistry's principal medium for publication of research, is preparing a special issue to honour the career contributions of Professor Roderick E. Wasylishen, Canada Research Chair in Physical Chemistry at the University of Alberta. The issue is scheduled to be published in July 2011.

Rod continues to have enormous impact on the field of NMR spectroscopy in Canada and worldwide. He has won numerous awards including the Gerhard Herzberg Award from the Spectroscopy Society of Canada, the John C. Polanyi Lecture Award, and the Alumni of Honour Award from the University of Waterloo. He has been elected as a Fellow of the Royal Society of Canada, a Killam Senior Fellow, a CIC Fellow, a Fellow of the American Association for the Advancement of Science, and a Fellow of the International Society of Magnetic Resonance.

Rod's high-quality and prolific research output is evidenced by more than 300 peer-reviewed publications in top-notch scientific journals, as well as book chapters and reviews. Rod has consistently chosen to publish in the Journal and to promote the Journal among his colleagues. Beginning in 1969, Rod has published over 75 manuscripts in Can. J. Chem. Rod has also had a major impact on the training of the future generation of NMR spectroscopists in Canada.

The Canadian Journal of Chemistry is a monthly journal reporting current research findings in all branches of chemistry, including the traditional areas of analytical, inorganic, organic, and physical-theoretical chemistry and newer interdisciplinary areas such as materials science, spectroscopy, chemical physics, and biological, medicinal and environmental chemistry.

It is our pleasure to invite you to contribute an article, communication, or review article dedicated to Rod Wasylishen. All submitted manuscripts will be subject to normal peer review procedures. We anticipate and hope that this will be a very popular issue, and as such reach a large international audience. Instructions to Authors can be viewed at the journal web site:

http://pubs.nrc-cnrc.gc.ca/eng/journals/forauthors_cjc.html

Please confirm by e-mail to Judy Murdoch if you intend to submit a manuscript (jmurdoch "at" uwo.ca) and submit your contribution via the online submission program at http://pubs.nrc-cnrc.gc.ca/cjc/osprey as soon as you can but not later than November 1, 2010. Please suggest at least three suitable reviewers two of which must be from a North American research institution in your cover letter or in the space provided in Osprey.

Sincerely,

Yining Huang, University of Western Ontario
David Bryce, University of Ottawa
Gang Wu, Queen's University


New NMR book (June 3/10)

EMR books
Multidimensional NMR Methods for the Solution State

edited by Gareth A. Morris and James W. Emsley
Hardcover: 580 pages
Publisher: Wiley; June 2010
Language: English
ISBN: 978-0470770757
http://www.amazon.com/dp/0470770759
http://www.amazon.ca/dp/0470770759

Wiley: "Multidimensional NMR methods have transformed the way in which solution state NMR is used to elucidate the structures of chemical and biochemical systems. The first book covering new developments in nearly a decade, this much-needed resource explains recent experimental methods for the rapid measurement of multidimensional solution-state NMR spectra. With articles written by key developers of the techniques, the coverage deals with both the theoretical tools and the latest practical applications, giving an unmatched guide to students, researchers, technicians, and anyone else working with NMR techniques today"

Canadian contributions

A.D. Bain "COSY: Quantitative Analysis," Chapter 13, Multidimensional NMR Methods for the Solution State (EMR Books), Eds. G.A. Morris and J.W. Emsley, Wiley (2010) pp. 167-176. http://dx.doi.org/10.1002/9780470034590.emrstm0095

T.T. Nakashima and R.E.D. McClung "Heteronuclear Shift Correlation Spectroscopy," Chapter 22, Multidimensional NMR Methods for the Solution State (EMR Books), Eds. G.A. Morris and J.W. Emsley, Wiley (2010) pp. 289-304. http://dx.doi.org/10.1002/9780470034590.emrstm0209

R. Muhandiram and L.E. Kay "3D HMQC-NOESY, NOESY-HMQC, and NOESY-HSQC," Chapter 25, Multidimensional NMR Methods for the Solution State (EMR Books), Eds. G.A. Morris and J.W. Emsley, Wiley (2010) pp. 335-350. http://dx.doi.org/10.1002/9780470034590.emrstm0563

The complete Table of Contents is available on Stan's NMR blog.


New books: NMR Crystallography (Jan 23/10)

NMR Crystallography

NMR Crystallography

edited by Robin K. Harris, Roderick E. Wasylishen, Melinda J. Duer
Hardcover: 520 pages
Publisher: Wiley; January 2010
Language: English
ISBN: 978-0470699614
http://www.amazon.com/dp/0470699612
http://www.amazon.ca/dp/0470699612

Wiley: The term "NMR Crystallography" has only recently come into common usage, and even now causes raised eyebrows within some parts of the diffraction community. The power of solid-state NMR to give crystallographic information has considerably increased since the CPMAS suite of techniques was introduced in 1976. In the first years of the 21st century, the ability of NMR to provide information to support and facilitate the analysis of single-crystal and powder diffraction patterns has become widely accepted. Indeed, NMR can now be used to refine diffraction results and, in favorable cases, to solve crystal structures with minimal (or even no) diffraction data. The increasing ability to relate chemical shifts (including the tensor components) to the crystallographic location of relevant atoms in the unit cell via computational methods has added significantly to the practice of NMR crystallography. Diffraction experts will increasingly welcome NMR as an allied technique in their structural analyses. Indeed, it may be that in the future crystal structures will be determined by simultaneously fitting diffraction patterns and NMR spectra.

This Handbook is organised into six sections. The first contains an overview and some articles on fundamental NMR topics, followed by a section concentrating on chemical shifts, and one on coupling interactions. The fourth section contains articles describing how NMR results relate to fundamental crystallography concepts and to diffraction methods. The fifth section concerns specific aspects of structure, such as hydrogen bonding. Finally, four articles in the sixth section give applications of NMR crystallography to structural biology, organic & pharmaceutical chemistry, inorganic & materials chemistry, and geochemistry.


ICASS 2009 (September 11/09)

Summer 2009
The front page of the Summer 2009 issue of the "Canadian NMR Research" news bulletin features a news report about a special NMR symposium in honour of Professor Rod Wasylishen which was held during the 55th International Conference on Analytical Sciences and Spectroscopy (ICASS) at Queen’s University on August 9-12, 2009. The symposium was organized by Gang Wu and was attended by more then 50 of Rod's colleagues and friends. Read more here.


University of Alberta (August 6/09) - closed

Tenure-Track Faculty Position, Chemistry

The Department of Chemistry at the University of Alberta invites applications for a tenure-track faculty position in Chemical Biology, Carbohydrate Chemistry or a related field including the NMR of biomolecules and biologically oriented organic chemistry. Appointment will be made at the Assistant Professor level to an individual who complements the research interests of the department; an appointment at the Associate Professor level for an outstanding candidate may be considered.

http://oraweb.aucc.ca/pls/ua/ua_re3?ADVERTISEMENT_NUMBER_IN=9684


University of Alberta (August 6/09)

Research Associate, NMR, Chemistry

The Alberta Ingenuity Centre for Carbohydrate Science has a vacancy for a Research Associate specializing in the structural determination of complex carbohydrates by high resolution NMR and detailed studies of their complexes with enzymes and carbohydrate binding proteins.

http://oraweb.aucc.ca/pls/ua/ua_re3?ADVERTISEMENT_NUMBER_IN=9584


Cut-open magnet display at the University of Alberta (June 16/09)

Cut-open magnet

If you are planning on visiting Edmonton, don't miss a rare opportunity to glimpse inside of a cut-open NMR magnet at the University of Alberta. A well thought out and professionally arranged magnet display has been recently opened to public in the Chemistry Department building. Not only you have a chance to see what's inside of an NMR magnet, you will also learn a great deal about NMR from a slide presentation that runs continuously on the overhead monitor for your enjoyment. If traveling to Edmonton is not in your plans, you can still see this presentation online, courtesy of Albin Otter, an NMR Facility Service Officer at the University of Alberta, who coordinated efforts in putting this wonderful educational display together (photo credit).
A twin-brother of the cut-open 200 MHz magnet in Edmonton is located in Ottawa, at the 900 NMR Facility (photo). You are very welcome to drop by and see it yourself!



Magnetic Resonance Gordon Research Conference (April 27/09)

Canadian Solid-State NMR research is front and center at the upcoming Gordon Research Conference at the University of New England, in Biddeford, Maine. Two key lectures in the “NMR of Materials” session are to be given by Rod Wasylishen (University of Alberta) and Joe Zwanziger (Dalhousie University). To register by May 24:

Magnetic Resonance Gordon Research Conference
June 14-19, 2009, Biddeford, ME
Registration deadline May 24, 2009
http://www.grc.org/programs.aspx?year=2009&program=magres


Thesis Defenses

Fu Chen (University of Alberta) March 2, 2009

Research supervisor: Roderick Wasylishen

Ph.D. thesis: “Solid-state nuclear magnetic resonance investigations of some Group 11 and Group 13 compounds”


ICASS 2009 : First announcement (Feb 25/09)

The 55th International Conference on Analytical Sciences and Spectroscopy (ICASS) will be held at Queen’s University (Kingston, Ontario, Canada) on August 9-12, 2009. The conference will feature a special NMR Symposium in honour of Professor Rod Wasylishen.

The conference will also have a fantastic social program including the Magical Dinner with Canada's Magic Champion Eric Leclerc and a very popular Sunset Dinner Cruise of the Thousand Islands.

The abstract submission for oral and poster presentations is now open and will last until June 1, 2009.

ICASS offers a special discount for early bird registration which is available until April 1, 2009.

Please check the ICASS conference website for details: http://www.icass.ca/2009/

Or contact the NMR Symposium organizer, Gang Wu, for more information
http://www.chem.queensu.ca/people/faculty/Wu/


Summer Issue of the "Canadian NMR Research" news bulletin (August 5, 2008)

Summer 2008 "It appears that this summer has been full of events (personally and professionally) that are, in one way or another, associated with Rod Wasylishen.

At the end of May, I attended the annual
conference of the Canadian Society for Chemistry (CSC) in Edmonton, Alberta. Rod organized a special two-day symposium devoted to Advances in Solid-State NMR, which
many of Rod’s current and former students participated in ..."

Read the full Guest Editorial by Gang Wu in the Summer 2008 issue of the Canadian NMR Research News Bulletin


Rod Wasylishen receives Canada Research Chair (June 11, 2008)

RodWe are delighted to learn that Rod Wasylishen's Tier I Canada Research Chair in Physical Chemistry has been renewed for a period of seven years (official announcement). Rod's many scientific contributions are well-known to the Canadian NMR community and do not require a special introduction. Besides being a prominent world-renowned NMR researcher and a
mentor to many of us, Rod is also an active member of the 900 NMR Facility Steering Committee. Please join us in extending our warmest congratulations to
Rod and his family.

Photo from : http://www.ualberta.ca