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Oct 18, 2021 – NMR Virtual Symposium
The North Jersey ACS NMR Topical Group is pleased to presents its
Under Construction
North Jersey ACS NMR Topical Group
presents the
2021 Virtual NMR Symposium
October 18th, 2021
Microsoft Teams link:
Attendance is FREE of charge
Please circulate our ]
Please [ register here ] for this symposium
Note: You can view complete videos of these talks by clicking the video links below.
Program
Session 1 (8:00 – 10:00am EDT)
8:10 – 9:00am - Christian Griesinger, Max Planck Institute [ video ]
Title: TBA
9:05 – 9:55am Matthias Ernst, ETH Zurich [ video ]
Residual Dipolar Line Width in Proton MAS Solid-State NMR
9:55 – 10:15am – Break
Session 2 (10:15 – 12:05pm EDT)
10:20 – 11:10am - Lewis Kay, University of Toronto [ video ]
Developing the NMR toolkit to study protein molecules in the phase separated state
11:15 – 12:05pm - Ann McDermott, Columbia University [ video ]
Signaling in Biological Systems – Insights from NMR
12:05 – 1:00 pm - Lunch Break
Session 3 (1:00 – 2:40pm EDT)
1:05 – 1:45pm - Nicholas Whiting, Rowan University [ video ]
Advances in Hyperpolarized Magnetic Resonance
1:50 – 2:40pm - Qi Zhang, University of North Carolina at Chapel Hill [ video ]
Unveiling the “Invisible” Regulatory States in RNA
2:40 – 3:00pm – Break
Session 4 (3:00 – 4:50pm EDT)
3:05 – 3:55pm - Andrew Nieuwkoop, Rutgers University [ video ]
Using NMR and Molecular Dynamics to Understand Protein Lipid Interactions
4:00 – 4:50pm - David Rovnyak, Bucknell University [ video ]
The metabolome in the freezer: promises and pitfalls of mining metabolic knowledge in standard-of-care biobanked sera, and other unconventional NMR metabolomics
4:50 – 5:10pm – Break
Evening Keynote (5:10 – 6:30pm EDT)
5:25 – 6:15pm – Gerhard Wagner, Harvard University [ video ]
From NMR studies of translation initiation factors to understanding
6:20 – 6:30pm – Jon Williams, Co-Chair of the NJACS NMR Topical Group
Closing remarks
x
(Past Events)
Sept 23, 2021 – NMR Topical Group Meeting
The North Jersey ACS NMR Topical Group is pleased to present its September meeting online, Thurs, September 23, 2021, 7:00 pm
Featured Presentation

Seminar details:
Date: Thursday September 23rd 7:00 pm ET
Speaker: Dr. James Kempf, Product Manager for
Title: “Nuclear magnetic resonance and hyperpolarization”
Slides:
Abstract
Nuclear magnetic resonance, with focus on hyperpolarization. Responsibility for product development in dissolution DNP, parahydrogen, brute-force hyperpolarization and other emerging methods in nuclear spin hyperpolarization. Leading internal R&D and external co-development and testing through customer collaborations.
This seminar is free of charge and sponsored by
Link to the meeting (uses Microsoft Teams):
https://njacs.org/nmr-2021-09-23
Register
Please [ register here ] for this meeting
Registration
Please [ register here ] for this meeting
Questions:
Bradley.Falk@bms.com (Chair)
Jon.Williams@rutgers.edu (Co-Chair)
Microsoft Teams meetingJoin on your computer or mobile app Click here to join the meeting Or call in (audio only) +1 908-409-1059,,402833072# United States, Elizabeth (833) 733-5876,,402833072# United States (Toll-free) Phone Conference ID: 402 833 072# Find a local number | Reset PIN Audio for this meeting can be heard in the Microsoft Teams client. Please check your audio device settings before you join the call. If you see phone numbers above, you can use them to join the meeting’s audio if necessary. |
(Past Events)
May 27, 2021 – NMR Topical Group Meeting
The North Jersey ACS NMR Topical Group is pleased to present its May meeting online, Thurs, May 27, 2021, 7:00 pm
Featured Presentation

Seminar details:
Date: Thursday May 27th 7:00 pm ET
Speaker: Nikolaos Sgourakis, University of Pennsylvania
Title: “Leveraging methyl probes for studies of immune complexes by solution NMR”
Abstract
TBA
The seminar is free of charge and sponsored by NJACS NMR Topical Group.
Link to the meeting (uses Zoom Webinar):
https://njacs.org/nmr-2021-05-27
Register
Please [ register here ] for this meeting
Questions:
Bradley.Falk@bms.com (Chair)
Jon.Williams@rutgers.edu (Co-Chair)
Microsoft Teams meetingJoin on your computer or mobile app Click here to join the meeting Or call in (audio only) +1 908-409-1059,,7161180# United States, Elizabeth (833) 733-5876,,7161180# United States (Toll-free) Phone Conference ID: 868 851 55# Find a local number | Reset PIN Audio for this meeting can be heard in the Microsoft Teams client. Please check your audio device settings before you join the call. If you see phone numbers above, you can use them to join the meeting’s audio if necessary. |
(Past Events)
Apr 29, 2021 – NMR Topical Group Meeting
The North Jersey ACS NMR Topical Group is pleased to present its April meeting online, Thurs, April 29, 2021, 7:00 pm

Featured Presentation
Seminar details:
Speaker: Ivan V. Sergeyev, Bristol Myers Squibb
Title: “Dynamic Nuclear Polarization:
Abstract
NMR as a whole, but especially solid-state NMR, can be classed as a “signal-limited”
technique – with limited sample volumes, compromises must be made between signal-to-noise
ratio and experimental acquisition times. In recent years, a sensitivity revolution has
enabled orders-of-magnitude signal enhancements, up to a theoretical maximum of 660-
fold, via the Dynamic Nuclear Polarization (DNP) technique. In enabling the gradual easing
of the aforementioned compromises, DNP-enhanced SSNMR has enabled studies of systems
not previously amenable to solid-state NMR, including whole viruses, amyloid fibrils,
membrane proteins, and complex multi-component materials. Yet, the “there is no such
thing as a free lunch” mantra also applies — DNP-NMR is not without its pitfalls, generally
requiring specialized hardware and modifications to the sample that can impact spectral
resolution. Extensive efforts have gone into mitigating these pitfalls and maximizing the
sensitivity gains available, especially as the field moves to ever higher magnetic fields.
Recent investigations of previously under-explored facets of the technique, for instance
direct enhancement of nuclei other than 1H, hint that we have only scratched the surface in
terms of the capabilities and potential of DNP. In this talk, I will present:
- An overview of the technology and mechanisms behind DNP, including recent advances at high magnetic field and low microwave power
- A brief practical discussion of the state-of-the-art in sample preparation for various DNP applications
- Recent work in 19F-DNP, with potential implications for the field as a whole
- Perspectives for the future: combining DNP, ultrafast magic angle spinning (MAS), and selective excitation to revolutionize sensitivity and resolution
Time:
7:00 – 8:00pm, 4/29/2021 EST
The seminar is free of charge and sponsored by NJACS NMR Topical Group
Link to the webinar (uses Microsoft Teams):
https://njacs.org/nmr-2021-04-29
Register
Please [ register here ] for this meeting
Questions:
Bradley.Falk@bms.com (Chair)
Jon.Williams@rutgers.edu (Co-Chair)
Microsoft Teams meetingJoin on your computer or mobile app Click here to join the meeting Or call in (audio only) +1 908-409-1059,,7161180# United States, Elizabeth (833) 733-5876,,7161180# United States (Toll-free) Phone Conference ID: 868 851 55# Find a local number | Reset PIN Audio for this meeting can be heard in the Microsoft Teams client. Please check your audio device settings before you join the call. If you see phone numbers above, you can use them to join the meeting’s audio if necessary. |
(Past Events)
Mar 25, 2021 – NMR Topical Group Meeting
The North Jersey ACS NMR Topical Group is pleased to present its March meeting online, Wed, Mar 25, 2021, 7:00 – 8:00 pm

Featured Presentation
Speaker: Yongchao Su, Google Scholar
Title: “Investigating Molecular Mechanisms of Drug Delivery and Stability from Solid-state NMR
Abstract
Structural details often provide molecular mechanisms to construct the interplay among biology, chemistry and engineering for drug product development. Solid-state NMR analyzes a wide range of drug and wet pharmaceutical materials from small molecule medicines to biological products. The obtained structural information at macroscopic and microscopic scales offer critical knowledge for understanding and optimizing drug delivery, chemical and physical stability, bioavailability, formulation composition, and manufacturing process. This presentation will provide examples to introduce the molecular structure mediated questions in pharmaceutical sciences and elaborate how ssNMR techniques are employed to tackle these analytical challenges.
Seminar details:
Time:
7:00 – 8:00pm, 3/25/2021 EST
The seminar is free of charge and sponsored by NJACS NMR Topical Group
Link to the webinar (uses Microsoft Teams):
https://njacs.org/nmr-2021-03-25
Register
Please [ register here ] for this meeting
Questions:
Bradley.Falk@bms.com (Chair)
Jon.Williams@rutgers.edu (Co-Chair)
Microsoft Teams meetingJoin on your computer or mobile app Click here to join the meeting Or call in (audio only) +1 908-409-1059,,7161180# United States, Elizabeth (833) 733-5876,,7161180# United States (Toll-free) Phone Conference ID: 868 851 55# Find a local number | Reset PIN Audio for this meeting can be heard in the Microsoft Teams client. Please check your audio device settings before you join the call. If you see phone numbers above, you can use them to join the meeting’s audio if necessary. |
(Past Events)
Feb 17, 2021 – NMR Topical Group Meeting
The North Jersey ACS NMR Topical Group is pleased to present its February meeting online, Wed, Feb 17, 2021, 6:00 – 7:00 pm
Featured Presentation
Speaker: Jon Williams, PhD – Postdoctoral Associate – Baum Research Group – Rutgers
Title: “Dynamics and Disorder in α-Synuclein Amyloid Fibril Aggregation and Seeding
Abstract
Amyloid fibril formation and propagation of α-Synuclein (αS) is associated with the progression of multiple neurodegenerative diseases, including Parkinson’s Disease. Cell-to-cell spread of αS fibrils is thought to contribute to disease progression, which leads to “seeding” or templated misfolding endogenous αS monomer through processes such as templated elongation and secondary nucleation. The molecular level details of these seeding mechanisms and the interactions that drive the aggregation process are not fully understood, but will be critical in not only fully understanding the process of seeding but also in identifying potential avenues of therapeutic disruption. In this talk, I will describe some of our recent efforts to characterize the interactions between monomeric αS and αS amyloid fibrils using a combination of solution NMR and solid-state NMR techniques. I will describe how combining NMR measurements of relaxation, exchange, and water accessibility with other biophysical measurements of protein aggregation and cell toxicity has led to the identification of a common aggregate binding site on αS monomers, as well as the role that dynamics can play in the ability of amyloid fibrils to template aggregation.
Seminar details:
Time:
6:00pm 2/17/2021 EST
The seminar is free of charge and sponsored by NJACS NMR Topical Group
Link to the webinar (uses Microsoft Teams):
https://njacs.org/nmr-2021-02-17
Register
No registration required
Questions:
Bradley.Falk@bms.com (Chair)
Jon.Williams@rutgers.edu (Co-Chair)
Microsoft Teams meetingJoin on your computer or mobile app Click here to join the meeting Or call in (audio only) +1 908-409-1059,,86885155# United States, Elizabeth (833) 733-5876,,86885155# United States (Toll-free) Phone Conference ID: 868 851 55# Find a local number | Reset PIN Audio for this meeting can be heard in the Microsoft Teams client. Please check your audio device settings before you join the call. If you see phone numbers above, you can use them to join the meeting’s audio if necessary. |
(Past Events)
Oct 20, 2020 – NMR Virtual Symposium

North Jersey ACS NMR Topical Group
presents the
2020 Virtual NMR Symposium
October 20th, 2020
Link to webex: https://njacs.org/nmr-symposium-webex
Password: NJACS-2020
Attendance is FREE of charge
]
Program 2020 Virtual NMR Symposium |
|
Session 1 (8:00 - 10:50 am EST) - Chair: István Pelczer, Princeton University |
|
8:00 am |
![]() Opening remarks
Justyna Sikorska,
Chair
|
8:10 am |
![]() 1. Detection of metabolic reprogramming associated with HBV infection using metabonomics
Yulan Wang,
|
8:50 am |
![]() 2. NMR As Mechanistic Tool In Photocatalysis
Ruth M. Gschwind,
|
9:30 am |
![]() 3. Ultraclean pure shift NMR?
Gareth Morris,
|
10:10 am |
![]() 4. Fast NMR: Solving a puzzle with most of the parts missing
Vladislav Y. Orekhov,
|
10:50 am |
Break (20 min) |
Session 2 (11:10 am - 12:10 pm EST) - Chair: Gaetano T. Montelione, RPI |
|
11:10 am |
![]() 5. Intrinsically disordered proteins by NMR: What can 13C direct detection tell us?
Isabella C. Felli,
|
11:50 am |
![]() 6. Integrative modelling of biomolecular complexes
Alexandre Bonvin,
|
12:30 pm |
![]() 7. High molecular-weight complexes in the regulation of gene expression: A view by integrative structural biology
Teresa Carlomagno,
|
1:10 pm |
Break (50 min) |
Session 3 (2:00 - 4:00 pm EST) - Chair: Mark McCoy, Merck & Co. |
|
2:00 pm |
![]() 8. Mechanochemical Synthesis of Active Pharmaceutical Ingredients and their Characterization with New NMR Crystallographic Methods based on Solid-State NMR of Quadrupolar Nuclei
Robert W. Schurko,
|
2:40 pm |
![]() 9. Deuterium Metabolic Imaging (DMI), a novel MR-based method to map metabolism in 3D
Robin A. de Graaf,
|
3:20 pm |
![]() 10. How Quantitative NMR Enables New Metabolomics Methods
Daniel Raftery,
|
4:00 pm |
Break (20 min) |
Session 4 (4:20 - 7:00 pm EST) - Chair: Luciano Mueller, Bristol-Myers Squibb |
|
4:20 pm |
![]() 11. Accelerated Identification of Natural Products using Small Molecule Accurate Recognition Technology (SMART) 2.1
William Gerwick,
|
5:00 pm |
![]() 12. Discovery and characterization of active small molecule ligands targeting the function of ubiquitin specific protease USP7 by a catalytic site independent mechanism
Till Maurer,
|
5:40 pm |
![]() 13. Keynote: NMR-based screening of combinatorial libraries to target protein-protein interactions with reversible or covalent agents
Maurizio Pellecchia,
|
6:40 pm |
![]() 13. Closing remarks
Bradley Falk,
Co-chair
|
7:00 pm |
End |
We acknowledge the generous support of our sponsors:














x
(Past Events)
Sep 23, 2020 – NMR Topical Group Meeting
The North Jersey ACS NMR Topical Group is pleased to presents its September meeting online, Wed, Sept 23, 2020, 6:30 – 8:00 pm.
Featured Presentation
Speaker: Dr. Alexander Marchanka, Junior Professor, Institute of Organic Chemistry, Leibniz Universität, Hannover, Germany
Title: “Solid-state NMR approach for structural studies
Abstract
Large RNA molecules are challenging objects for structural biology. Solid-state NMR (ssNMR) can provide valuable structural information for large biomolecules at atomic resolution and holds great promises for structural studies of both lone RNA and RNA in complex with proteins (ribonucleoproteins, RNP). In this talk I will present our novel ssNMR methodology for structural characterization of RNA which includes sophisticated isotope labeling of RNA and acquisition of multidimensional heteronuclear correlation spectra. Additionally to conventional 13C and 15N detected ssNMR experiments we apply novel ultrafast magic angle spinning (MAS), 1H-detected ssNMR spectroscopy for structural studies of RNA. Ultrafast MAS coupled with 1H-detection extends the range of available experiments, allows deeper insights into structure and functional dynamics and significantly reduces the amount of laboratory and instrument times. Furthermore, we apply paramagnetic relaxation enhancement (PRE) to characterize protein-RNA interfaces by ssNMR. Finally, I will provide a few examples of studies on RNA, protein-RNA and RNA-RNA complexes by ssNMR and complementary techniques..
Seminar details:
Time:
6:30pm 9/23/2020 EST (Princeton),
3:30pm 9/23/2020 PST (San Francisco),
12.30am 9/24/2020 CEST (Berlin),
7.30am 9/24/2020 JST (Tokyo)
The seminar is free of charge and sponsored by NJACS NMR Topical Group and Merck
Link to the webinar:
https://merck.webex.com/merck/onstage/g.php?MTID=e61294f82250cbfdfa4437e599cda6263
Password: NJACS-2020
Register
No registration required
Questions:
Justyna.Sikorska@merck.com (Chair)
Bradley.Falk@bms.com (Co-Chair)
(Past Events)
Mar 25, 2020 – NMR Topical Group Meeting CANCELLED
Meeting cancelled due to coronavirus outbreak.

Featured Presentation
Speaker: Dr. Robin A. de Graaf, Professor of Radiology and Biomedical Imaging, Yale University
Title: “Deuterium Metabolic Imaging (DMI), a novel
Abstract
Non-invasive imaging of metabolic pathways in neurological disease has been a long-standing goal to monitor disease progression or therapy efficacy. Positron emission tomography (PET) in combination with 2-18F-fluoro-2-deoxy-D-glucose (FDG) is currently the only clinically viable metabolic imaging method. However, the high uptake of FDG by normal brain drastically reduces the image contrast and the usefulness of FDG-PET in studying neurological disease. MR-based methods (1H, 13C, hyperpolarized 13C MRS) are promising but have failed to reach clinical significance due to technical complexity and lack of robustness and/or sensitivity. Deuterium metabolic imaging (DMI) is a novel MR-based method that uses the favorable MR characteristics of deuterium to map metabolism in vivo in 3D. The low intrinsic sensitivity of 2H NMR is offset by favorable T1 and T2 relaxation times, a large nuclear spin and a sparse NMR spectrum devoid of strong water and lipid signals. By combining 2H NMR with deuterated glucose administration (oral or intravenous), MR spectroscopic imaging and signal quantification through spectral fitting we were able to generate deuterium metabolic images of brain, brain tumor and liver metabolism in vivo. Our first-in-human DMI maps of glucose metabolism in healthy brain and in patients with high grade brain tumors illustrate that DMI has the potential to become a robust and widely applicable brain imaging method with strong clinical utility.
Program
6:00 pm Dinner + Retirement cake for George Anastasi
6:45 pm Raffle
7:00 pm Seminar (No charge for seminar only)
Dinner Cost (pay at the door):
$10 employed / $5 students, postdoc, retired, unemployed. No charge for seminar only.
Meeting Venue
Rutgers University
Department of Chemistry and Chemical Biology, CCB
Room 1203
123 Bevier Rd
Piscataway, NJ 08854
Parking: Parking will be available in LOT 54 (described in Driving Directions)
Important: Please register your car in advance with Rutgers Parking Department at:
https://rudots.nupark.com/events/Events/Register/afda8f8d-d782-4f00-942b-58eef60339de
Questions:
Justyna.Sikorska@merck.com (Chair)
Bradley.Falk@bms.com (Co-Chair)
Register:
Please register online [ here ] or via e-mail to
Justyna.Sikorska@merck.com (Chair)
Bradley.Falk@bms.com (Co-Chair)
(Past Events)
Feb 19, 2020 – NMR Topical Group Meeting
The North Jersey ACS NMR Topical Group is pleased to presents its February meeting at Rutgers, Wednesday, February 19, 2020
Featured Presentation
Speaker: Dr. Abby R. O’Connor, Associate Professor, Department of Chemistry, The College of New Jersey
Title: “Examining sulfonamide containing ligand scaffolds in catalytic base-free transfer hydrogenation and beyond !”
Abstract
Work in the O’Connor lab has focused on the catalysis of iridium complexes containing pyridinesulfonamide ligands. We discovered iridium-catalyzed transfer hydrogenation of polar substrates under conditions that do not require basic additives and rigorously dried and degassed substrates and solvents. These catalysts tolerate a wide substrate scope and including base sensitive functional groups. Variation of the electronics of the catalysts and substrates influences the yield of product, as determined by 1H NMR spectroscopy. Control experiments support a homogeneous catalyzed pathway. Variation of the structural rigidity of the ligand framework has been explored and high catalysis activity is only observed with flexible ethylene or methylene linkers between the sulfonamide and pyridine moieties; substitution with a more rigid aromatic linker prevents catalysis (Figure 1). Initial NMR spectroscopic studies support the formation of an iridium hydride intermediate and the potential for ligand dissociation under catalytic conditions. Our preliminary mechanistic and kinetic findings via experiment and theory are highlighted to provide an explanation as to why these systems operate under base-free conditions. Also highlighted in this presentation are new ligand scaffolds being developed by our lab for rare earth element binding and recovery and CO2 reduction.
Program
6:00 pm Dinner
7:00 pm Seminar
Dinner Cost (pay at the door):
$10 employed / $5 students, postdoc, retired, unemployed. No charge for seminar only.
Meeting Venue
Rutgers University
Department of Chemistry and Chemical Biology, CCB
Room 1203
123 Bevier Rd
Piscataway, NJ 08854
Parking: Parking will be available in LOTS 54 & 51B (described in Driving Directions)
Important: If you are driving, before leaving home please read & heed this message from the Rutgers Parking Department:
“Guests must use the below link to register for the event. Until this process is completed their vehicles are not registered and your guests may receive a
https://rudots.nupark.com/events/Events/Register/7e1ec5f1-30ed-4ee7-8cbd-c3436f75306b
Questions:
Justyna.Sikorska@merck.com (Chair)
Bradley.Falk@bms.com (Co-Chair)
Register:
Please register online [ here ] or via e-mail to
Justyna.Sikorska@merck.com (Chair)
Bradley.Falk@bms.com (Co-Chair)