Advanced NMR Workshop, June 13-14, 2018

NMR Workshop - Advanced Techniques, 2D NMR,  and Introduction to Solid State NMR

Wednesday June 13 and Thursday June 14, 9am to noon each day

The workshop will briefly cover the basic physical theory behind the advanced NMR experiments but the focus will be on demonstrating the uses of these experiments and practical aspects of experimental set up.  The schedule will consist of a mixture of lectures and of hands-on sessions on the NMR spectrometers where participants will get the opportunity to set up experiments and collect data.

The topics covered include topics covered include:

• 
DOSY

• COSY
• NOESY/ROESY

• HMQC/HMBC

• Differences between solution and solid state NMR
• Solid State NMR sample preparation
• Magic-angle spinning – MAS  (tuning the angle with KBr)

• Cross-polarization (CP) MAS
• Basic 1H and 13C SSNMR experiments
• Pulse field gradients
• Shaped Pulses

• Selective 1D NOESY
• HOMODEC

• DEPTQ
• PSYCHE (broad band homonuclear decoupling)





This advanced workshop is available to undergraduate, graduate students and postdocs who have already taken the Introductory NMR Workshop or who have completed the third year Spectroscopic Structure Identification course (59-330/332) (or equivalent) and who have demonstrated sufficient competence to the NMR Facility Manager. No experience in solid state NMR is required.

Enrolment is free but numbers are limited.



Registration can be done using the link below or at the Department of Chemistry and Biochemistry-NMR Facility webpage

To register click here

For more information, contact Matt Revington:

Matthew Revington
NMR Facility Manager, RM 394-5 Essex Hall
Department of Chemistry and Biochemistry
University of Windsor
519-253-3000 Ext 3997

Seminar: Leah Casabianca (Clemson University) - Friday, Jan. 26, 2018 @ 3:00 p.m.

Seminar: Leah Casabianca (Clemson University)

UWinChemBiochem Seminar Series - Winter 2018

Leah Casabianca
Department of Chemistry
Clemson University, Clemson, SC  
Title: “Characterization of Nanoparticle Surface Interactions Using Dissolution Dynamic Nuclear Polarization and Saturation-Transfer Difference NMR”
Web: https://chemistry.sites.clemson.edu/casabiancagroup/

Friday, Jan. 26, 2018 @ 3:00 p.m.
Room #186 Essex Hall

**Everyone Welcome**

Characterization of Nanoparticle Surface Interactions Using Dissolution Dynamic Nuclear Polarization and Saturation-Transfer Difference NMR

Leah B. Casabianca, Department of Chemistry, Clemson University

Nanotechnology is becoming increasingly prevalent in our everyday lives. Nanoparticles that are used as lubricants, in drug delivery, and as antibacterial agents are finding their way into the body and into the environment, where they interact with biological macromolecules such as proteins. Understanding the nature of the interactions between nanoparticles and adsorbed molecules is therefore increasingly relevant in fields such as drug delivery, nanoparticle catalysis, and nanoparticle toxicity. In this talk, I will discuss several recent studies in my lab that are aimed at developing Nuclear Magnetic Resonance (NMR) techniques for studying noncovalent nanoparticle surface interactions.

NMR is an incredibly powerful characterization technique, capable of providing atomic-level structural as well as dynamic information. However, NMR is not ideally suited for surface studies due to the inherent low sensitivity of this technique. One way of improving the sensitivity of NMR is Dynamic Nuclear Polarization (DNP). DNP relies on the transfer of polarization from a nearby unpaired electron to nuclei of interest in NMR. My group has recently¹ developed HighlY-effective Polymer/Radical Beads (HYPR-Beads), which are organic nanoparticles that have been doped with radicals for use as DNP polarization agents. Using HYPR-beads, we were able to hyperpolarize nuclei in small molecules that are located near the beads in an aqueous environment.

We are also using Saturation Transfer Difference (STD)-NMR Spectroscopy to identify small molecules that interact noncovalently with the surface of functionalized organic nanoparticles in solution.^2,3 STD-NMR was originally developed to identify small-molecule ligands that bind to a particular protein receptor. Since this technique does not require the receptor to be seen by solution-state NMR, there is no upper limit to the size of the receptor that can be studied. This makes the STD-NMR technique an ideal one to study small molecules adsorbed on the surface of nanoparticles. We have used STD-NMR to determine the binding constant between small molecules and solvent water on the surface of nanoparticles,² and to determine the binding epitopes of a fluorescent dye associating with the nanoparticle surface.³ This work has future applications in determining the structure of proteins adsorbed on the surface of nanoparticles, and in the development of dual-use imaging contrast agents.

References

[1] Y. Zhang, P. J. Baker, L. B. Casabianca, “BDPA-Doped Polystyrene Beads as Polarization Agents for DNP-NMR.” J. Phys. Chem. B 2016, 120, 18-24.

[2] Y. Zhang, H. Xu, A. M. Parsons, L. B. Casabianca, “Examining Binding to Nanoparticle Surfaces Using Saturation Transfer Difference (STD)-NMR Spectroscopy.” J. Phys. Chem. C 2017, 121, 24678-24686.

[3] Y. Zhang, H. Xu, L. B. Casabianca, “Interaction Between Cyanine Dye IR-783 and Polystyrene Nanoparticles in Solution.” submitted.

Bio: Dr. Casabianca received a B. S. degree in chemistry from Rice University in 2002 where she did undergraduate research with Prof. Seiichi P.T. Matsuda.  She completed her Ph. D. in the lab of Prof. Angel C. de Dios at Georgetown University in 2008.  Her thesis work involved using solution-state NMR and chemical shift calculations to understand the mechanism of action of anti-malarial drugs.  She then did a postdoctoral fellowship (2008-2010) with Prof. Yoshitaka Ishii at the University of Illinois at Chicago working on structural characterization of graphite oxide.  Her second postdoctoral fellowship was in the group of Prof. Lucio Frydman at the Weizmann Institute (2010-2013) where she worked on dynamic nuclear polarization of diamond samples.  She joined the faculty at Clemson University in 2014.

Seminar: Jeff Reimer (University of California at Berkeley) - Tuesday, Jan. 16, 2018 @ 3:00 p.m.

Seminar: Jeff Reimer (University of California at Berkeley)

UWinChemBiochem Seminar Series - Winter 2018

Jeff Reimer
Department of Chemistry
University of California at Berkeley 
Title: “Why, and How, I would like to Decarbonize our Air”
Web: https://chemistry.berkeley.edu/faculty/cbe/reimer

Tuesday, Jan. 16, 2018 @ 3:00 p.m.
Room #109 Essex Hall

**Everyone Welcome**
**Note the special room***

Seminar: Prof. Eric Munson, University of Kentucky - Monday, December 11, 2017 @ 3:00 p.m.

Seminar: Prof. Eric Munson, University of Kentucky

UWinChemBiochem Seminar Series - Fall 2017

Prof. Eric Munson
Department of Pharmaceutical Sciences
University of Kentucky
Title: “Solid-State NMR Studies of Crystalline and Amorphous Organic Solids: Applications to Pharmaceuticals”
Web: http://pharmacy.uky.edu/faculty/emu222/Eric-Munson

Monday, December 11, 2017 @ 3:00 p.m.
Room #186 Essex Hall

**Everyone Welcome**

Advanced NMR Workshop - June 21 and 22

Advanced NMR Workshop
Advanced Techniques, 2D NMR, and Introduction to Solid State NMR
Wednesday June 21 and Thursday June 22, 9am to noon each day

The workshop will briefly cover the physical theory behind the advanced NMR experiments but the focus will be on demonstrating the uses of these experiments and practical aspects of experimental set up.  The schedule will consist of a mixture of lectures and of hands-on sessions on the NMR spectrometers where participants will get the opportunity to set up experiments and collect data.

The topics covered include topics covered include:

• DOSY

• COSY
• NOESY/ROESY

• HMQC/HMBC

• Differences between solution and solid state NMR
• Solid State NMR sample preparation
• Magic-angle spinning – MAS  (tuning the angle with KBr)

• Cross-polarization (CP) MAS
• Basic 1H and 13C SSNMR experiments
• Pulse field gradients
• Shaped Pulses

• Selective 1D NOESY
• HOMODEC

• DEPTQ
• PSYCHE (broadband homonuclear decoupling)





This advanced workshop is available to undergraduate, graduate students and postdocs who have already taken the Introductory NMR Workshop or who have completed the third year Spectroscopic Structure Identification course (59-330/332) (or equivalent) and who have demonstrated sufficient competence to the NMR Facility Manager. No experience in solid state NMR is required.

Enrolment is free but numbers are limited.



Registration can be done using the link below or at the Department of Chemistry and Biochemistry-NMR Facility webpage

To register click here

For more information, contact: 
Matthew Revington
NMR Facility Manager,
Department of Chemistry and Biochemistry
University of Windsor
519-253-3000 Ext 3997
http://scholar.google.ca/citations?hl=en&user=YWRVOsUAAAAJ 

Nobel prize in Supramolecular Chemistry - UWindsor contributions to this field cited by Nature

On Wednesday the Nobel for Chemistry was awarded to Jean-Pierre Sauvage, Fraser Stoddart and Ben Feringa, for making molecular machines.

https://www.nobelprize.org/nobel_prizes/chemistry/laureates/2016/

The journal Nature has recently highlighted some of the important contributions to this field. http://www.nature.com/collections/mzxlcbfyzn/.

Interestingly one of the few not authored by the Nobel Winners is http://www.nature.com/nchem/journal/v7/n6/full/nchem.2258.html, an article from the from the labs of Stephen Loeb and Rob Schurko and their graduate students and postdocs Kelong Zhu, Christopher A. O'Keefe, and V. Nicholas Vukotic.

In honour of the Nobel Prize being awarded for the design and synthesis of molecular machines, Dr. Mutus hosted a breakfast party on Oct. 7, 2016 to celebrate this win for Supramolecular Chemistry.

Here is Dr. Loeb enjoying a pair of interlocked bagels!

Advanced NMR Workshop - June 15-16, 2016

Advanced NMR Workshop 

Wednesday June 15 and Thursday June 16, 9am to noon each day

This advanced workshop is available to undergraduate students and/or graduate students/postdocs who have already taken the Introductory NMR Workshop or who have completed the third year Spectroscopic Structure Identification course (59-330/332) and who have demonstrated sufficient competence to the NMR Facility Manager. No experience in solid state NMR is required.

The workshop will briefly cover the physical theory behind the advanced NMR experiments but the focus will be on demonstrating the uses of these experiments and practical aspects of experimental set up .The schedule will consist of a mixture of lectures and of hands-on sessions on the NMR spectrometers where participants will get the opportunity to set up experiments and collect data.

The topics covered include topics covered include:

• DOSY

• COSY
• 
NOESY/ROESY

• HMQC/HMBC

• Differences between solution and solid state NMR
• Solid State NMR sample preparation
• Magic-angle spinning – MAS  (tuning the angle with KBr)

• Cross-polarization (CP) MAS
• Basic 1H and 13C SSNMR experiments
• 
Pulse field gradients
• Shaped Pulses

• Selective 1D NOESY
• HOMODEC

• DEPTQ





Enrolment is free but numbers are limited.



Registration can be done using the link below or at the Department of Chemistry and Biochemistry-NMR Facility webpage

To register click here

Matthew Revington
NMR Facility Manager
Department of Chemistry and Biochemistry
University of Windsor

CEMWOQ This Weekend!

The 3rd Crystal Engineering and Emerging Materials Workshop of Ontario and Quebec (CEMWOQ-3), is taking place at the Centre for Executive and Professional Education at the University of Windsor on May 14 -15, 2016.  The meeting will provide a forum for researchers with broad interests in the fields of Molecular and Molecule-based Materials, including:

* structure and dynamics in the solid state
* solid state (topochemical) reactions
* materials properties; conductivity, magnetism, multi-ferroics, optical properties.
* liquid crystals;
* metal organic frameworks;
* polymorphism and crystal engineering;
* synthetic methods; microwave, grinding and solvent-assisted grinding.

For more information, visit:
http://cemwoq.cs.uwindsor.ca/

See the conference schedule and events at a glance at:
http://cemwoq.cs.uwindsor.ca/Program/Schedule/index.html

Schurko receives UWindsor award for excellence in research

Congratulations to Professor Rob Schurko who received one of two University of Windsor Awards for Excellence in Research, Scholarship and Creative Activity - Category C - Established Scholars / Researchers.   The University of Windsor spotlights accomplishments and achievements of faculty at an annual event held to pay tribute to those who have received significant awards and honours for their research or creative activity.

Prof. Schurko was in Israel as a visiting scientist at the Weizmann Institute at the time of the awards ceremony; so, his two of his Ph.D. students, Chris O'Keefe and David Hirsh, accepted the award on his behalf.

His research focuses upon the development and application of techniques in solid-state nuclear magnetic resonance (NMR) for the study of a wide variety of materials, including pharmaceutical compounds, nanoparticles, catalysts, and many more.  To learn more about his research, visit:

http://www.uwindsor.ca/schurko

Ultra-fast magic-angle spinning NMR probe up and running

Prof. Rob Schurko's NMR group has recently taken delivery of an ultra-fast magic-angle spinning NMR probe, which will be used for acquiring high-resolution 1H NMR spectra of a variety of different materials, including solid pharmaceuticals. The probe was purchased for ca. $110,000 using funds obtained from an NSERC RTI (Research Tools and Instruments) Grant.

To read the Daily News story on this amazing probe, click here!

Hiyam Hamaed is awarded the Governor General's Gold Medal

Although she enjoys all the sciences, Hiyam Hamaed chose to specialize in chemistry because it has so many applications to everyday life.

"I love chemistry because it goes beyond numbers—you can do it by hand, you can touch it, you can feel it," says the doctoral graduate, who volunteered for years performing a chemistry magic show for local schoolchildren. "I love to show everybody that chemistry is fun."

Dr. Hamaed received the Governor General's Gold Medal as the top graduate student in her cohort at Convocation ceremonies on Oct. 17, 2010. She received her B.Sc. with distinction in chemistry from the University of Windsor in 2005. She began graduate studies at the Master’s level in September 2005 and transferred to the Ph.D. program in 2006, completing her doctorate in June with a grade point average of 12.4 over her graduate career.

Her graduate supervisor, Robert Schurko, describes her as passionate about the science."She loves the work. That sort of attitude carries through in what she does," he says.

He points to her idea to use nuclear magnetic resonance (NMR) spectroscopy to distinguish between polymorphic forms of pharmaceuticals."She pushed us to think outside of the box," Dr. Schurko says. "Four people are now working on a project she started."

Read more about this story on the UWindsor Daily News website

Process could help drug companies with simpler quality assurance, student finds

[Excerpt from the University of Windsor Daily News - to see the full article, click here]

Pharmaceutical companies may find it faster and easier to assure the quality of their drugs, thanks to the findings of a PhD student in chemistry.~
Nuclear magnetic resonance (NMR) spectroscopy—technology normally associated with medical diagnostics—is a simpler method than the time-consuming techniques pharmaceutical companies currently use to make sure drugs such as painkillers or allergy medications remain effective through the manufacturing process, said Hiyam Hamaed.

When drugs are made, they're created in liquid solution and then transformed into a solid state for manufacturing, packaging, and shipping. Some substances crystallize in varying forms; each of these polymorphs has different properties which can influence the way people metabolize drugs, as well as their shelf life, packing, and handling. To see what final form the polymorphs have taken, pharmaceutical companies will try to make single crystals out of their drugs for molecular X-ray analysis, which can be painstakingly slow or sometimes impossible, Hamaed said.

"The problem is obtaining a single crystal," said Hamaed, who defended her thesis last week. "This can be very difficult. Crystals can be very hard to make."

Hamaed said NMR can be used to analyze the molecular structure of solid pharmaceuticals, eliminating the need to form crystals. Her work focused on the hydrochloride salts, often the most stable forms of many solid pharmaceuticals. She found that NMR is a better method for determining the identity and purity of these pharmaceuticals when standard methods, such as X-ray diffraction, fail.
"These are very fast experiments," said chemistry professor Rob Schurko, Hamaed’s academic advisor. "We can take a snapshot and quickly confirm whether a polymorph has formed. Each NMR signature acts as a fingerprint for each type of pharmaceutical or polymorph."

[Excerpt from the University of Windsor Daily News - to see the full article, click here]

To read more about Dr. Schurko's research, visit his homepage at:

http://www.uwindsor.ca/schurko