North Jersey Section
American Chemical Society

NMR Spectroscopy Topical Group Meetings

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Sep 21, 2016 – NMR Topical Group Meeting

The North Jersey ACS NMR Topical Group is pleased to presents its September meeting at CABM, RutgersWednesday, September 21, 2016. [ register ]

Featured Presentation

Dr. Subhasish Chatterjee

City University of New York

“Probing molecular architecture and assembly of plant biomaterials with solid-state NMR”

Abstract:

Chemically heterogeneous and structurally amorphous assemblies are essential to
wide-ranging biological tasks that involve water diffusion, mechanical integrity, and protection against pathogenic invasion.  Hydrophobic plant composites, formed by lipid-based polyesters and waxes, assemble into the hydrophilic cell walls and work as an efficient barrier to protect the plant organs from dehydration and injuries.  Of particular interest is the suberin polyester; we have used a combination of genetic modifications and solid-state NMR techniques to decipher the structural frameworks of 13C-enriched suberin materials obtained from Solanum tuberosum L. (potato).  Dynamic nuclear polarization (DNP) strategies are also being developed to enable execution of a broader range of structurally informative experiments on these challenging materials.

Our findings deconstruct the supramolecular organization of this class of biomaterials to shed light on their cooperative dynamics and mechanical performance as well as underscore the design principles of this critical hydrophobic barrier in protective plant tissues.  The results offer potential improvements for both sustainable agricultural practice and bio-inspired materials design.

Door Prizes will be raffled off courtesy of our NJ ACS Chair, Luciano Mueller!

Program

6:00 pm   Dinner
7:00 pm  Seminar

Meeting Venue

CABM (Center for Advanced  Biotechnology and Medicine) Rutgers, 679 Hoes Lane West, Piscataway, NJ 08854-8021 [ directions ]

Dinner Cost:

$15 employed.
$5 for students postdoc, retired, unemployed.
No charge for seminar only

Questions:

Frank.Rinaldi@bms.com or Anuji.Abraham@bms.com

Register:

Please register online here or via e-mail to Frank Rinaldi   Frank.Rinaldi@bms.com   or  Anuji Abraham Anuji.Abraham@bms.com

2016-09-21

(Past Events)

June 15, 2016 – NMR Topical Group Meeting, Oxford Night

The North Jersey ACS NMR Topical Group proudly presents its June monthly meeting at Princeton University, Frick Chemistry Laboratory Atrium, Wednesday, June 15, 2016. [ register ]

OXFORD NIGHT!

oxford-instruments-logo

Featured Presentation

Marcel Lachenmann, Senior Applications Scientist,  Oxford Instruments

“Benchtop NMR Pot Luck: Case Studies and Tricks of the Tradees”

Abstract:

Over the past few years, benchtop NMR has elicited significant and rapidly-growing interest. While benchtop NMR instrumentation has been available for two decades, early incarnations were limited to low-resolution Time Domain (TD) applications. Recent advances have made possible the production of benchtop Fourier Transform (FT) NMR spectrometers with higher resolution and sensitivity, offering the potential to expand the reach of NMR beyond dedicated facilities into general laboratory and production settings.

Daniel Barabino  (Oxford Instruments) will discuss some new developments in the works at Oxford Instruments

ALSO – Please join us for a brief award presentation of the NJACS Salute to Excellence Award given to Galia Debelouchina

Door Prizes will be raffled off curtesy of our NJ ACS Chair, Luciano Mueller!

Program

6:00 pm   Dinner
7:00 pm  Seminar

Meeting Venue

A57, Frick Chemistry Laboratory Atrium, Princeton University [ directions | campus map ]

Dinner Cost:

Free — thanks to our sponsor, Oxford Instruments

Parking:

Parking will be available in Lot21 (see map link given above under Campus Map)

Public Transit:

It is possible to take NJ Transit all the way to Princeton campus (the symposium location is ~ 10 min walk from the train station). Take the Northeast Corridor NJ transit train to Princeton Junction, then transfer to the small “dinky” train that ends on campus (5 min train ride).

Questions:

Frank.Rinaldi@bms.com or Anuji.Abraham@bms.com

Register:

Please register online here or via e-mail to Frank Rinaldi   frank.rinaldi@bms.com    Anuji Abraham Anuji.Abraham@bms.com

2016-06-15

(Past Events)

May 26, 2016 – NMR Topical Group Meeting

The North Jersey ACS NMR Topical Group proudly presents its May monthly meeting at Rutgers University, Busch Campus,
CABM, Conf. Rm. (Center for Advanced Biotechnology and Medicine)
679 Hoes Lane West, Piscataway NJ 08854

Thursday, May 26, 2016. [ register ]

Abstract

NMR spectroscopy has been demonstrated as a powerful tool in drug discovery for structure determination and the detection of ligand binding events.  The flexibility of NMR can be harnessed to address challenging questions and systems by finding the proper balance of its applications.  Approaches will be described to accelerate data acquisition and analysis to enable NMR to remain an essential tool among biophysical technologies.

Times

6:00 pm   Dinner
7:00 pm  Seminar

Venue

Rutgers University, Busch Campus, CABM, Room 010 (Center for Advanced Biotechnology and Medicine) 679 Hoes Lane West, Piscataway NJ 08854

Dinner Cost:

Dinner cost: $15 employed / $5 students, postdoc, retired, unemployed — payable at the door
No charge for seminar only.

Directions to Rutgers University, Busch Campus

Questions: frank.rinaldi@bms.com or Anuji.Abraham@bms.com

Register:

Please register online here or via e-mail to frank.rinaldi@bms.com

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2016-05-26

(Past Events)

Mar 16, 2016 – NMR Topical Group Meeting

The North Jersey ACS NMR Topical Group proudly presents its March monthly meeting at Princeton University,
Frick Chemistry Atrium (dinner) and
Frick Chemistry room A81 (seminar),
Princeton University.
Wednesday, March 16, 2016. [ register ]

Abstract

MRI is a useful tool for studying electrochemical systems because it can be applied to functioning devices in situ and can resolve chemical and spatial informational about components in different phases of matter. I will present our recent work that exploits these advantages of MRI in order to study the growth of dendrites in functioning lithium metal batteries.

Dendrite growth is a serious problem that leads to performance degradation as well as severe safety concerns in rechargeable lithium-ion batteries, and understanding the working conditions under which they form and continue to grow is crucial. By performing 7Li MRI on both the electrolyte and lithium metal electrodes in a functioning lithium metal battery, we have been able to correlate the behavior of the electrolyte concentration gradient to the type and rate of dendrite growth on the surface of the Li electrode, confirming the existence of separate growth mechanisms in different charging regimes.

Due to the rf skin effect, the 7Li metal signal is particularly sensitive to changes at the surface of the electrode. However, the short T2 and low SNR prevent the collection of high-resolution, 3D 7Li images of the dendrites. Instead, we have developed methodology using 1H FLASH imaging to indirectly observe dendritic structures via their impact on the detected signal intensity of the organic electrolyte components. This approach is supported by robust calculation methods that reconstruct the susceptibility and rf field inhomogeneities around the metallic microstructures. The result is a real-time, 3D movie showing dendrites growing across the electrodes in the cell, shedding light on the growth rate and morphology of the structures formed.

Times

6:00 pm   Dinner
7:00 pm  Seminar

Venue

Frick Chemistry Atrium (dinner)
Frick Chemistry Room A81 (seminar),
Princeton University. [ Directions ]

Dinner Cost:

Dinner cost: $15 employed / $5 students, postdoc, retired, unemployed — payable at the door
No charge for seminar only.

Questions:

frank.rinaldi@bms.com or Anuji.Abraham@bms.com

Parking:

Parking will be available in Lot21 (see map link given above under Directions)

Public Transit:

It is possible to take NJ Transit all the way to Princeton campus (the symposium location is ~ 10 min walk from the train station). Take the Northeast Corridor NJ transit train to Princeton Junction, then transfer to the small “dinky” train that ends on campus (5 min train ride).

Register:

Please register online here or via e-mail to frank.rinaldi@bms.com

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2016-03-16

(Past Events)

Feb 17, 2016 – NMR Topical Group Meeting

The North Jersey ACS NMR Topical Group proudly presents its September monthly meeting at Rutgers University, Busch Campus,
CABM, Room 010 (Center for Advanced Biotechnology and Medicine)
679 Hoes Lane West, Piscataway NJ 08854
Wednesday, February 17, 2016. [ register ]

Abstract

Dissolved organic matter (DOM) plays important ecological and environmental roles in natural waters; these include acting as a short-term sink of atmospheric CO2, a bacterial food source, and as a reactant and absorbent of man-made pollutants. The relative importance of DOM’s various roles in an aquatic system depend mainly on its chemical composition. Unfortunately little is known about its chemical composition or even the manner in which it forms due mainly to its complex chemical nature.

Applying two dimensional correlation spectroscopy to 13C-NMR and FTIR spectra of the high molecular-weight dissolved organic matter (HMW-DOM) isolated along an Elizabeth River/Chesapeake Bay salinity transect shows that HMW-DOM consists of three major components that have different biogeochemical reactivities. Coupling these results with proton nuclear magnetic resonance (1H-NMR) by 2D- correlation analysis give us more insightful characterization of the chemical nature of each of these three major components and reveals that each of these components contains mixtures of compounds that share similar major functional groups but have significant differences in other minor functional groups.

Employing 2D correlation to Fourier transform ion cyclotron resonance (FT-ICR) mass spectra allows us to more closely examine changes that occur in the DOM at the molecular level and understand how these thousands of individual compounds are correlated with each other and how they respond to different external perturbations. The power of this technique is its ability to be used on either the presence/absence of the individual peaks or on their normalized magnitudes. The presence or absence of the peaks are utilized to identify the reactivity and correlation between peaks that plot in different regions of the van Krevelen diagram, whereas the normalized magnitudes are used to correlate the changes among individual peaks. One of the promising advantages of 2D correlation of FTICR-MS data is the ability to associate the variations of the individual peaks with the changes in the functional groups that are measured by other spectroscopic techniques. This approach takes us one step further, from identifying molecular formulas to proposing chemical structures.

Times

6:00 pm   Dinner
7:00 pm  Seminar

Venue

Rutgers University, Busch Campus, CABM, Room 010 (Center for Advanced Biotechnology and Medicine) 679 Hoes Lane West, Piscataway NJ 08854

Dinner Cost:

Dinner cost: $15 employed / $5 students, postdoc, retired, unemployed — payable at the door
No charge for seminar only.

Directions to Rutgers University, Busch Campus

Questions: frank.rinaldi@bms.com or Anuji.Abraham@bms.com

Register:

Please register online here or via e-mail to frank.rinaldi@bms.com

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2016-02-17

(Past Events)

Jan 20, 2016 – NMR Topical Group Meeting

The North Jersey ACS NMR Topical Group proudly presents its January monthly meeting at Princeton University, Frick Chemistry Laboratory Atrium, Wednesday, January 20, 2016. [ register ]

Featured Presentation

Prof. Rob Messinger

Department of Chemical Engineering, The City College of New York

“Measuring and Understanding Local (Dis)order: Crystallization of Zeolite Nanosheets & Defects in Li-ion Battery Electrodes”

Abstract:

Measuring and understanding how order develops in crystallizing materials is a challenging problem, especially during the syntheses of self-assembled materials that exhibit both crystalline and mesoscopic order. Surfactant-directed zeolite MFI nanosheets exhibit improved transport and catalytic properties compared to their bulk zeolite counterparts, particularly with respect to large molecules. During their hydrothermal syntheses, coupled framework crystallization and surfactant self-assembly processes occur that are poorly understood and difficult to control. Local compositions, atomic and mesoscale structures, and surfactant-framework interactions were monitored throughout their syntheses by multi-dimensional solid-state 1H and 29Si nuclear magnetic resonance (NMR) spectroscopy, X-ray diffraction (XRD), and electron microscopy measurements. The analyses establish how the atomic and mesoscale framework structures evolve during hydrothermal synthesis, revealing that the zeolite MFI nanosheets form via intermediate nano-layered frameworks with 2D crystal-like structures.

Similarly, identifying and characterizing atomic-scale disorder in crystalline solids can be challenging experimentally, particularly for lithium-ion intercalation electrodes that can exhibit multiple oxidation and spin states. LiVPO4F is one of the most energy-dense polyanionic electrode materials currently known for lithium-ion batteries, but recent solid-state NMR measurements have revealed unusual extents of local disorder. Highly crystalline LiVPO4F samples were synthesized, as determined by XRD and scanning transmission electron microscopy (STEM) measurements. Solid-state 7Li NMR spectra reveal unexpected paramagnetic lithium environments that can account for up to 20% of the total lithium content. Multi-dimensional and site-selective solid-state 7Li-7Li dipolar recoupling NMR experiments establish unambiguously that the unexpected lithium environments are defects within the LiVPO4F crystal structure, further revealing the sub-nanometer-scale proximities between them. The lithium defects are shown to exhibit altered electronic environments that result from changed oxidation states of nearby paramagnetic vanadium atoms. The results provide a general strategy for characterizing sub-nanometer-scale disorder in lithium-containing crystalline solids, including highly paramagnetic materials with short NMR relaxation times on the order of ms.

Program

6:00 pm   Dinner
7:00 pm  Seminar

Meeting Venue

A57, Frick Chemistry Laboratory Atrium, Princeton University [ directions ]

Dinner Cost:

$15 employed / $5 students, postdoc, retired, unemployed.
No charge for seminar only.

Questions:

Frank.Rinaldi@bms.com or Anuji.Abraham@bms.com

Register:

Please register online below or via e-mail to Frank Rinaldi   frank.rinaldi@bms.com    Anuji Abraham Anuji.Abraham@bms.com

2016-01-20

(Past Events)

Oct 21, 2015 – NMR Symposium

4th Annual NMR Symposium


The North Jersey ACS NMR Topical Group and Princeton ACS Section present the 4th Annual NMR Symposium.

Date:. Wednesday, October 21, 2015
Place: Princeton University

Note: Registration for the free admission events is encouraged to help with planning. Registration for dinner is required and closes on October 16th. Register online or by emailing galiadeb@gmail.com

[ registersponsors | directions | NMR homepage ]

Speakers

Mei Hong

Mei Hong

Robert Powers

Robert Powers

Hashim Al-Hashimi

Hashim Al-Hashimi

Mark McCoy

Mark McCoy

Kevin Gardner

Kevin Gardner

Peter Caravan

Peter Caravan

Program

Afternoon session – McDonnell Hall A01 – free admission

1:00 - 1:45 pm – Mei Hong

Massachusetts Institute of Technology

“Solid-State NMR Investigations of the Structure, Dynamics and Mechanisms of Viral Membrane Proteins”

1:45 - 2:30 pm – Robert Powers

University of Nebraska-Lincoln

“Metabolomics and Drug Discovery”

2:30 - 3:15 pm – Hashim Al-Hashimi

Duke University

“Hoogsteen Base Pairs in Duplex DNA: More Sleepless Nights for Watson”

3:15 - 3:45 pm – Coffee break

3:45 - 4:30 pm – Mark McCoy

Merck Research Labs

“BioNMR Applications in Cancer Drug Discovery and Development”

4:30 - 5:15 pm – Kevin Gardner

City University of New York

“Environmentally-Controlled Protein/Protein Interactions:  Nature’s Switches, Scientists’ Tools”

5:30 - 6:30 pm – Social mixer – Frick Chemistry Atrium, free admission

Evening session – Frick Taylor Auditorium – free admission – Sponsored by Princeton ACS

6:30 - 7:30 pm – Peter Caravan

MGH/Harvard, Boston

“Molecular Magnetic Resonance Imaging”

7:30 - 8:30 pm – Dinner – Frick Chemistry Atrium - $20 per person – pay at the door - register


Directions

The opening session of the Symposium is at

McDonnell Hall A01,
Princeton NJ 08540

on the campus of Princeton University. Parts of the event will be held in the adjacent Frick Chemistry Hall[ Campus Map | Google Map ]

Parking: Public parking is available in Lot 21.  (See Campus Map — Lot 21 is east of Frick and McDonnell Halls).

McDonnell Hall: Take the Jadwin entrance on Stadium Drive (see campus map). We will post signs to the location of the seminar room.

Public transportation: It is possible to take NJ Transit all the way to Princeton campus (the symposium location is ~ 10 min walk from the train station). Take the Northeast Corridor NJ transit train to Princeton Junction, then transfer to the small “dinky” train that ends on campus (5 min train ride). For assistance, email galiadeb@gmail.com.

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We are very grateful to our sponsors
Luciano Mueller BMS Bruker Biospin JEOL Cambridge Isotope Laboratories Sigma-Aldrich Wilmad-LabGlass New Era Nexomics Biosciences Suraj Manrao Science Fund MestreLab Research Magritek ACD Labs Icon Isotopes / Berry & Associates

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2015-10-21

(Past Events)

September 30, 2015 – NMR Topical Group Meeting

The North Jersey ACS NMR Topical Group proudly presents its September monthly meeting at Rutgers University, Busch Campus,
CABM, Room 010 (Center for Advanced Biotechnology and Medicine)
679 Hoes Lane West, Piscataway NJ 08854
Wednesday, September 30, 2015. [ register ]

Abstract

Recent developments in solid state probe technology have allowed for previously unrealized rotational rates up to 111 kHz. This fast spinning rate allows for a plethora of new types of experiments in solid-state NMR.  Under “fast mas” conditions, both increased 13C coherence lifetimes and proton detection experiments open new gateways to study the biological solids as well as materials and pharmaceutical sciences.  In combination with semi-automated acquisition software, SSNMR has never been more easily implemented.

Times

6:00 pm   Dinner
7:00 pm  Seminar

Venue

Rutgers University, Busch Campus, CABM, Room 010 (Center for Advanced Biotechnology and Medicine) 679 Hoes Lane West, Piscataway NJ 08854

Dinner Cost:

Free (sponsored by Bruker BioSpin)

Directions to Rutgers University, Busch Campus

Questions: galiad@princeton.edu

Door Prizes!

Register:

Please register online below or via e-mail to Galia Debelouchina at galiadeb@gmail.com.

 

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2015-09-30

(Past Events)

June 17, 2015 – NMR Topical Group Meeting

The North Jersey ACS NMR Topical Group proudly presents its June monthly meeting at Princeton University, Frick Chemistry Laboratory Atrium, Wednesday, June 17, 2015. [ register ]

Abstract:

The integral membrane protein DsbB in Escherichia coli is responsible for oxidizing the periplasmic protein DsbA, which forms disulfide bonds in substrate proteins. We have developed a high-resolution structural model by combining experimental X-ray and solid-state NMR with molecular dynamics (MD) simulations. We embedded the high-resolution DsbB structure, derived from the joint calculation with X-ray reflections and solid-state NMR restraints, into the lipid bilayer and performed MD simulations to provide a mechanistic view of DsbB function in the membrane. Further, we revealed the membrane topology of DsbB by selective proton spin diffusion experiments, which directly probe the correlations of DsbB with water and lipid acyl chains. NMR data also support the model of a flexible periplasmic loop and an interhelical hydrogen bond between Glu26 and Tyr153. Significant sensitivity enhancement of membrane protein was achieved using chelator lipids with paramagnetic metal ions, which can be readily incorporated into the existing preparation of membrane samples. These solid-state NMR techniques are transferrable to many membrane-associated protein systems.  

Program

6:00 pm   Dinner
7:00 pm  Seminar
DOOR PRIZES!

Meeting Venue

A57, Frick Chemistry Laboratory Atrium, Princeton University

Dinner Cost:

$15 employed / $5 students, postdoc, retired, unemployed.
No charge for seminar only.

Directions to Frick Chemistry Laboratory

Questions: galiad@princeton.edu

Register:

Please register online below or via e-mail to Galia Debelouchina at galiadeb@gmail.com.

 

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2015-06-17

(Past Events)

May 20, 2015 – NMR Topical Group Meeting

The North Jersey ACS NMR Topical Group proudly presents its May monthly meeting at Rutgers University Busch Campus on Wednesday, May 20, 2015. [ register ]

Abstract:

Nanoparticles have been used industrially for a variety of applications from drug delivery, coatings to electronic materials. The intricate morphologies built into these nanoparticles and their interactions to surfactants, polymers and other nanoparticles provide unique physical properties that are critical to a variety of industrial applications. In this talk we will discuss some of the selective excitation and detection techniques for solid state (dipolar filters) as well as solution state (diffusion filtered – PFGNMR) to probe these properties. We will also discuss the new mechanistic insight from these NMR techniques into shear thinning viscosity of coatings due to rheology modifier (polymer) interaction to polymeric nanoparticles.

Program

6:00 pm   Dinner
7:00 pm  Seminar
DOOR PRIZES!

Meeting Venue

CABM - Room 010 (Center for Advanced Biotechnology and Medicine)

Rutgers Busch Campus
    679 Hoes Lane West, Piscataway NJ 08854
    Directions: http://rumaps.rutgers.edu/?id=C71942

Dinner Cost:

$15 employed / $5 students, postdoc, retired, unemployed.
No charge for seminar only.

Questions: galiad@princeton.edu

Register:

Please register online below or via e-mail to Galia Debelouchina at galiadeb@gmail.com.

 

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2015-05-20

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