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Baines, Kim (Department of Chemistry) Baines Research Group

Chronik, Blaine (Department of Physics and Astronomy)

Flemming, Roberta (Department of Earth Sciences)

Huang, Yining (Chemistry) Huang Research Group

Shaw, Gary (Biochemistry)

Willans, Mathew (NMR Facility, Chemistry)
 

UWO NMR Facility (Chemistry)

UWO Biomolecular NMR Facility


Para–Ferroelectric Transition in MOFs

Frontispiece article in Chemistry - A European Journal (Sept 24/15)

Jun Xu, Bryan E.G. Lucier, Regina Sinelnikov, Victor V. Terskikh, Viktor N. Staroverov, Yining Huang, "Monitoring and Understanding the Paraelectric –Ferroelectric Phase Transition in the Metal–Organic Framework [NH4][M(HCOO)3] by Solid-State NMR Spectroscopy," Chemistry - A European Journal 21 (2015) 14348–14361. (Frontispiece Article) http://dx.doi.org/10.1002/chem.201501954

Solid-State NMR Spectroscopy The [NH4][M(HCOO)3] (M=Mg, Zn) metal–organic framework (MOF) undergoes a paraelectric/ferroelectric phase transition below room temperature. In situ variable temperature 25Mg, 67Zn, 14N, and 13C solid-state NMR (SSNMR) experiments permit detailed investigation of the phase transition and temperature-induced changes within each phase. Pronounced changes in 25Mg and 67Zn NMR parameters are linked to subtle changes in the local metal environment, whereas 14N and 13C SSNMR experiments confirm that NH4+ framework hydrogen bonding plays an important role in the phase transition. This approach gave new physical insights and should prove to be useful for investigating electric phenomena in a wide variety of MOFs.

This article features results obtained using the 21.1 T solid-900state NMR spectrometer at the National Ultrahigh-Field NMR Facility for Solids (Ottawa, ON). If you are interested in using this spectrometer in your research please contact the Facility manager.


17O NMR in MOFs

Cover article in the Journal of Physical Chemistry C (Oct 17/14)

185) Peng He, Bryan Lucier, Victor Terskikh, Qi Shi, Jinxiang Dong, Yueying Chu, Anmin Zheng, Andre Sutrisno, Yining Huang, "Spies Within Metal Organic Frameworks: Investigating Metal Centers Using Solid-State NMR," Journal of Physical Chemistry C 118 (2014) 23728–23744. (Cover Article) http://dx.doi.org/10.1021/jp5063868

Solid-state NMR: yielding rich information on local environments of metals within metal-organic frameworks. Solid-state NMR spectroscopy (SSNMR) targeting NMR-active metal centers at natural abundance, in concert with ab initio density functional theory calculations and X-ray diffraction, is a powerful tool for elucidating the molecular-level structure of metal-organic frameworks (MOFs). 91Zr, 115In, 139La, 47/49Ti, and 67Zn SSNMR experiments are sensitive to subtle differences in coordination, bond length distribution, and ligand geometry about the metal center within MOFs. SSNMR spectroscopy of metal centers offers an impressive addition to the arsenal of the techniques for MOF characterization. On the cover, the structure of the MOF MIL-140A is shown at three different magnifications, representing the detailed structural information available from SSNMR experiments. The corresponding 91Zr SSNMR spectrum of MIL-140A acquired at a magnetic field of 21.1 T is shown in the bottom right. The background is a perspective view down one of the channels within the MIL-140A crystal structure.

This cover article features results obtained using the 21.1 T solid-900state NMR spectrometer at the National Ultrahigh-Field NMR Facility for Solids (Ottawa, ON). If you are interested in using this spectrometer in your research please contact the Facility manager.


NSERC 2014 Competition Results (June 27/14) [NSERC  ]

Discovery Grants

Blaine Chronik (Western) Magnetic Resonance Systems Development

Kalle Gehring (McGill) Protein folding in the endoplasmic reticulum

Paul Hazendonk (Lethbridge) Solid-State NMR of Complex Hybrid Organic-Inorganic Materials

Vladimir Ladizhansky (Guelph) Interactions of membrane proteins with lipids, water, and other proteins in biological membranes

William MacFarlane (UBC) Development and Application of Depth-Resolved beta-Detected Nuclear Magnetic Resonance to electronic, ionic and molecular phenomena in the Solid State

Giuseppe Melacini (McMaster) Solution NMR Studies of Interactions of Ligands With Plasma Proteins

Anthony Mittermaier (McGill) Binding Mechanisms and Conformational Equilibria in Biomacromolecular Interactions

Geoffrey Ozin (Toronto) Silicon Nanochemistry

Linda Reven (McGill) Solid-State NMR of Polymer and Liquid Crystalline Nanocomposites

Andre Simpson (Toronto Scarborough) Development of flow-based and magic angle spinning in-vivo NMR to understand environmental stress

Jenifer Thewalt (Simon Fraser) Domains in Biologically Relevant Lipid Membranes

David Wishart (Alberta) Development of Improved Methods to Rapidly Characterize Protein Structure, Function and Dynamics

Julian Zhu (Université de Montréal) Versatile Polymeric Biomaterials

Discovery Accelerator Supplement
$120,000 over three years


Giuseppe Melacini (McMaster) Solution NMR Studies of Interactions of Ligands With Plasma Proteins

Research Tools and Instruments (RTI)


Derek Gates (UBC) Upgrade to UBC-Chemistry Departmental NMR Facility

Theses Defenses (Dec 26/13)

Jun Xu (University of Western Ontario) December 2013
Supervisor: Prof. Yining Huang
Ph.D. Chemistry: "Multinuclear Solid-State Nuclear Magnetic Resonance Spectroscopy of Microporous Materials"
http://ir.lib.uwo.ca/etd/1752/

Theses Defenses (Oct 14/13)

Peng He (University of Western Ontario) September 2013
Supervisor: Prof. Yining Huang
M.Sc. Chemistry: "Solid State NMR Spectroscopic Studies of Metal-Organic Frameworks"
http://ir.lib.uwo.ca/etd/1640/

17O NMR in MOFs

Cover article in the Journal of Physical Chemistry C (August 28/13)

Peng He, Jun Xu, Victor V. Terskikh, Andre Sutrisno, Heng-Yong Nie, and Yining Huang, "Identification of Non-equivalent Framework Oxygen Species in Metal-organic Frameworks by 17O Solid-state NMR," Journal of Physical Chemistry C 117 (2013) 16953–16960. (Cover Article) http://dx.doi.org/10.1021/jp403512m

17O solid-state NMR spectra provide signatures of various oxygen species in metal-organic frameworks. We successfully prepared several prototypical 17O -enriched metal-organic frameworks (MOFs). Due to the diversity of MOF-based materials, different types of MOFs require different isotopic enrichment methods to effectively incorporate 17O from 17O-enriched H2O. Several synthetic strategies for 17O-enrichment were discussed. Using these 17O-enriched MOFs, we were able to acquire 17O solid-state NMR spectra at a magnetic field of 21.1 T. They provide distinct spectral signatures of various key oxygen species commonly existing in representative MOFs.

This cover article features results obtained using the 21.1 T solid-900state NMR spectrometer at the National Ultrahigh-Field NMR Facility for Solids (Ottawa, ON). If you are interested in using this spectrometer in your research please contact the Facility manager.


25Mg NMR in Mg-MOF

Cover article in Chemistry - A European Journal (March 20/13)

Jun Xu, Victor V. Terskikh, and Yining Huang, "Resolving Multiple Non-Equivalent Metal Sites in Magnesium-Containing Metal-organic Frameworks by Natural Abundance 25Mg Solid-State NMR," Chemistry - A European Journal 19 (2013) 4432–4436. (Cover Article) http://dx.doi.org/10.1002/chem.201300113

Four nonequivalent magnesium sites with very similar local Mg environments in a Mg-containing metal–organic framework, microporous α-Mg3(HCOO)6, have been resolved by 25Mg natural-abundance triple-quantum magic-angle spinning (3QMAS) NMR spectroscopy at an ultrahigh magnetic field of 21.1 T.

This cover article features results obtained using the 21.1 T solid-900state NMR spectrometer at the National Ultrahigh-Field NMR Facility for Solids (Ottawa, ON). If you are interested in using this spectrometer in your research please contact the Facility manager.


Theses Defenses (Jan 17/13)

Monika M.M. Haring (University of Western Ontario) December 2012
Supervisor: Prof. Roberta Flemming
M.Sc. Geology: "Crystal structure and Al/Si cation ordering in "fassaite": A combined single crystal, 27Al and 29Si NMR Study"
http://ir.lib.uwo.ca/etd/1058/

Margaret Hanson (University of Western Ontario) December 2012
Supervisors: Prof. Kim M. Baines and Prof. Yining Huang
Ph.D. Chemistry: "Structural Insights into Group 14 Compounds from Solid-State NMR Spectroscopy"
http://ir.lib.uwo.ca/etd/1032/


73Ge NMR in organogermanates

Cover article in Chemistry - A European Journal (Oct 20/12)

Margaret A. Hanson, Andre Sutrisno, Victor V. Terskikh, Kim M. Baines, Yining Huang, "Solid-State 73Ge NMR Spectroscopy of Simple Organogermanes," Chemistry - A European Journal 18 (2012) 13770–13779. (Cover Article) http://dx.doi.org/10.1002/chem.201201944

Germanium-73 is an extremely challenging nucleus to examine by solid-state NMR spectroscopy, due to its unfavorable NMR properties. Through the use of an ultrahigh (21.1 T) magnetic field, a systematic study of a series of organogermanes was carried out.

900This cover article features results obtained using the 21.1 T solid-state NMR spectrometer at the National Ultrahigh-Field NMR Facility for Solids (Ottawa, ON). If you are interested in using this spectrometer in your research please contact the Facility manager.


67Zn NMR in MOFs

Cover article in Chemistry - A European Journal (Sept 19/12)

A. Sutrisno, V.V. Terskikh, Q. Shi, Z. Song, J. Dong, S.Y. Ding, W. Wang, B.R. Provost, T.D. Daff, T.K. Woo, and Y. Huang, "Characterization of Zn-containing MOFs by Solid-state 67Zn NMR and Computational Modeling," Chemistry - A European Journal 18 (2012) 12251–12259. (Cover Article) http://dx.doi.org/10.1002/chem.201201563

Solid-state magic-angle spinning 67Zn NMR spectra of Zn-containing metal–organic frameworks were obtained at an ultrahigh magnetic field of 21.1 T. In combination with molecular modeling, 67Zn NMR data can provide information on the dynamics and distribution of guest species.

MOFs: NMR reveals inner secrets, read the highlights of this project on SpectroscopyNow.com written by David Bradley
http://www.spectroscopynow.com/nmr/details/ezine/139b5aff58c/MOFs-NMR-reveals-inner-secrets.html

900This cover article features results obtained using the 21.1 T solid-state NMR spectrometer at the National Ultrahigh-Field NMR Facility for Solids (Ottawa, ON). If you are interested in using this spectrometer in your research please contact the Facility manager.


CanadianTenure-track faculty position in Inorganic Chemistry, University of Western Ontario (July 31/12) (download PDF)

The Department of Chemistry invites applications for a probationary (tenure-track) faculty position at the rank of Assistant Professor in Inorganic Chemistry with an anticipated start date of July 1, 2013. The successful candidate will be expected to establish an independent, externally funded research program, and to develop and teach innovative courses in chemistry at the undergraduate and graduate levels. The Department of Chemistry (http://www.uwo.ca/chem) is a large research-intensive department with strong programs in many areas of chemistry and with several interdisciplinary links to research groups in other departments in the Faculties of Science and Engineering and the Schulich School of Medicine & Dentistry. The Department of Chemistry is home to world class research facilities and has strong affiliations with Surface Science Western (http://www.surfacesciencewestern.com), the Western Nanofabrication Facility (http://nanofab.uwo.ca) and the Integrated Microscopy Unit (http://www.thebiotron.ca).

Interested candidates should send two hard copies of their application package which includes an up-todate curriculum vitae, a teaching philosophy and a statement of teaching interests, a description of research accomplishments, and a 5 page research proposal, together with the names, mailing and e-mail addresses and telephone numbers of three referees to:

Dr. K. M. Baines, Chair
Department of Chemistry, Western University
Chemistry Building, Room 003 Dock 11
1151 Richmond Street N
London, Ontario, N6A 5B7
Canada

The deadline for receipt of two printed copies of the full application is September 30, 2012. Applications sent by e-mail will not be considered.

Positions are subject to budgetary approval. Applicants should have fluent written and oral communication skills in English. All qualified candidates are encouraged to apply; however, Canadians and permanent residents will be given priority. Western University is committed to employment equity and welcomes applications from all qualified women and men, including visible minorities, aboriginal people and persons with disabilities.


Thesis Defenses (April 25/12)

Andre Sutrisno
(University of Western Ontario) April 2012
Supervisor: Prof. Yining Huang
Ph.D. thesis: "Solid-State Nuclear Magnetic Resonance Spectroscopy of Low-Gamma Quadrupolar Nuclei in Inorganic Materials"
External Examiner: Prof. Darren Brouwer (Redeemer University College)

24th Canadian Materials Science Conference – call for abstracts (Jan 20/12)

We invite you to submit an abstract for presentation at the 24th CMSC, Materials: Atoms to Applications, which will be held at The University of Western Ontario, June 5-8, 2012. We are accepting abstracts for both oral and poster presentations; priority will be given to submissions by students.

The Conference has been expanded from its roots in metallurgy to include presentations related to many materials including bio- and nano-materials and composites; a somewhat more detailed list is shown on the attached flyer which we hope you will print and post/distribute to anyone you think might be interested in participating.

We hope you will forward this e-mail to any potential participants, including students and post-docs. Students who live in Canada more than 500 km from London, Ontario and are submitting abstracts may apply for travel support. Presenting students will automatically be entered into the appropriate competition; there will be prizes for the top presentations in each category.

All abstracts must be submitted through webHermes. Information about abstract submission may be found on the CMSC web site under "Abstract Submission"; any questions, problems, etc., please let us know.

We are delighted that Dr. Carlos Tomé (Los Alamos National Laboratories) will present the D.K.C. Memorial Lecture on Thursday evening, June 7, immediately after the banquet (included with registration). We are also pleased to announce that so far fifteen leading researchers in their fields of materials science have accepted our invitation to speak during the Conference.

Everyone who wishes to attend the 24th Canadian Materials Science Conference, whether presenting or not, must register for the Conference. The registration fee includes the opening reception on Tuesday evening, June 5, the poster reception on Wednesday, June 6 and the banquet on Thursday as well as lunches on Wednesday and Thursday, all coffee breaks and all conference materials including the Program/Abstract book. On-line registration is accessible through our web site as is access to reserving a room in Essex Hall on campus.

The University of Western Ontario campus, always beautiful, is especially so in early June; the weather should be superb. Niagara Falls and the superb wine country of the Niagara peninsula are about two hours away as is Toronto, Canada's largest city. The Stratford Shakespeare Festival (45 minutes away) and Shaw Festival (~2.5 hours away) will be offering many presentations before, during and after the CMSC.

We hope to see you in London in June not only attending the 24th CMSC but participating as a presenter of a talk or a poster. webHermes is available for abstract submission from now through midnight, March 5.

Any questions, comments, etc., please let us know.

See you in June.

Dr. Robert J. Klassen, Conference Chair
Dr. Myra Gordon, Conference Coordinator

http://www.eng.uwo.ca/2012cmsc/

Thesis Defenses (April 29/10)

Susan Safadi (University of Western Ontario) December 2009
Supervisor: Gary Shaw
Ph.D. thesis: "Structure, Stability and Interactions of the Parkin Ubiquitin-like Domain"

Nicole Marlatt (University of Western Ontario) April 2010
Supervisor: Gary Shaw
Ph.D. thesis: "Revealing Conformational Diversity in the Multifunctional S100 Protein Family"

Venzi Hristova (University of Western Ontario) April 2010
Supervisor: Gary Shaw
Ph.D. thesis: "Investigating the Structural and Functional Attributes of the Parkin Ubiquitin Ligase"


Canada Research Chairs in magnetic resonance (March 26/10)

Government of Canada has announced today (external link) an investment of $165.5 million to fund 187 new or renewed Canada Research Chairs in 44 Canadian universities. This includes renewal of two Chairs involved in magnetic resonance research.

Gary Shaw (University of Western Ontario) Canada Research Chair Tier 1 in Structural Neurobiology

Vladimir Ladizhansky (University of Guelph) Canada Research Chair Tier 2 in Biophysics

Our sincere congratulations to Gary and Vladimir with this well-deserved recognition.


Cover article in the Journal of Physical Chemistry (Dec 10/09)

jpcc

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).


Special Issue of Solid State Nuclear Magnetic Resonance (April 7/09)

Michael Hunger has edited a special "Solid State NMR in Catalysis" issue of Solid State Nuclear Magnetic Resonance (vol. 35, issue 2). Among authors are many renown personae in the field including Yining Huang (University of Western Ontario), who is reporting their recent research in studying formation of molecular sieves.

Z. Yan, B. Chen, Y. Huang, "A solid-state NMR study of the formation of molecular sieve SAPO-34," Solid State Nuclear Magnetic Resonance 35 (2009) 49-60. (invited publication, special issue "Solid State NMR in Catalysis") http://dx.doi.org/10.1016/j.ssnmr.2008.12.006


"Founded in 1878 by Bishop Isaac Hellmuth and the Anglican Diocese of Huron as "The Western University of London Ontario," Western is one of Canada's oldest and best universities. The first students graduated in arts and medicine in 1883."

"The University of Western Ontario is a vibrant centre of learning with 1,307 full-time faculty members and approximately 30,000 undergraduate and graduate students. Through its 12 Faculties, and three affiliated Colleges, the University offers more than 400 different majors, minors and specializations. Research is an integral part of the University's mission and external support for research projects totals nearly $221 million per year."

"Western Science consists of eight core Departments: Applied Mathematics, Biology, Chemistry, Computer Science, Earth Sciences, Mathematics, Physics & Astronomy and Statistical & Actuarial Sciences. We are also cross-affiliated with the Basic Medical Sciences departments. The members of Western Science include 4327 undergraduate & 466 graduate students, 81 post-doctoral fellows & research associates, 124 administrative & technical staff, 85 full-time research staff, 204 full-time & 51 part-time faculty, and 31,904 alumni. Western Science is renowned for comprehensive undergraduate education and an intensive research agenda."