NMR Spectroscopy Topical Group Meetings

(Recent Event)

Nov 21, 2019 – NMR Topical Group Meeting

The North Jersey ACS NMR Topical Group is pleased to presents its March meeting at Rutgers, Thursday, November 21, 2019 [ register ]

Featured Presentation

Speaker: Dr. Christine Jorge, Bristol-Myers Squibb

Authors: Christine Jorge, Janet Caceres-Cortes, Luciano Mueller, Carrie Xu, John Mehl, Thomas Petrone, France Landry, Ying Ren, Michael Reil

Title: “Quantitative NMR of compounds dissolved in multi-component protonated solvents”

Abstract

Proton detected quantitative NMR (qHNMR) is a staple for the determination of analyte concentration in various stages of the drug discovery process. qHNMR remains unprecedented in its high precision, ease of use, non-destructive nature, and simultaneous detection of multiple analytes. Unfortunately, a major limitation results from the difficulty of suppressing protonated solvents thereby largely restricting qHNMR samples to those dissolved in favorable deuterated or biological aqueous solvents where more robust solvent suppression schemes exist. A method was developed that uses band selective optimized flip-angle short-transient (SOFAST) 1D experiments to measure analyte concentration of compounds dissolved in multi-component protonated solvents. When an external reference standard is used, selective excitation of the proton aromatic region (6-10) ppm is sufficient to measure analyte concentration while removing spectral contamination from a wide range of protonated solvents and excipients. Examples are provided which highlight key learnings from routine qHNMR investigations of solutions such as LC-MS/MS standards and animal dosing solutions. The findings presented illustrate how qHNMR can be used to improve the overall quality and reproducibility of experiments in the discovery setting.

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

CCB Building (Department of Chemistry and Chemical Biology)
Room 1023
Rutgers, 123 Bevier Rd
Piscataway, NJ 08854 [ Driving Directions to the new CCB Building ]
Parking: Parking will be available in LOT 54 (see Directions)

Questions:

Qi.Gao1@merck.com (Chair)
or Justyna.Sikorska@merck.com

Register:

Please register online [ here ] or via e-mail to
Qi.Gao1@merck.com or
Justyna.Sikorska@merck.com

✎ 2019-11-21

(Recent Event)

Oct 23, 2019 – NMR Symposium

North Jersey ACS NMR Topical Group

presents the

2019 NMR Symposium

October 23rd, 2019

Princeton University Princeton, NJ 08544 [ directions | register ]

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Afternoon session (1:00 – 5:15 pm), Frick Chemistry Laboratory

Aalim Weljie

University of Pennsylvania

John Marino

National Institute of Standards and Technology

Gregory Walker

Pfizer

Catherine Royer

Rensselaer Polytechnic Institute

Stephen Kadlecek

University of Pennsylvania

Evening Keynote session (5:30 – 6:45 pm)

Arthur Palmer

Columbia University

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Dinner (6:45 – 8:00 pm), Frick Laboratory Atrium

$20 employed • $15 postdoc/unemployed/retired

$10 students • No dinner - free

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Please register for the meeting and dinner here: [ register ]

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We acknowledge the generous support of our sponsors:

✎ 2019-10-23

(Past Events)

Jun 19, 2019 – NMR Topical Group Meeting

The North Jersey ACS NMR Topical Group is pleased to presents its June meeting at Princeton, Wednesday, June 19, 2019 [ register ]

Bruker Night – Dinner and speakers sponsored by Bruker

Featured Presentations

Anna Codina, PhD

Director, Pharmaceutical Business Unit, Bruker BioSpin

“Bruker News”

Abstract for Anna Codina’s talk

This talk will start by highlighting Bruker’s recent innovative products and solutions. We will then focus on those applications relevant for the pharmaceutical industry, with special emphasis on the study of biologics and biosimilars by magnetic resonance spectroscopy.

Donna Baldisseri, PhD

Senior Applications Scientist, Bruker BioSpin

“Validating Higher Order Structure of Biologics using NMR”

Abstract for Donna Baldisseri’s talk

High-resolution nuclear magnetic resonance (NMR) is a key technology that provides critical information on protein conformation, aggregation, stability, and modifications such as glycosylation. Effectiveness and ease of use in the study of the higher order structure of proteins make this technique a uniquely valuable tool. Recently, new developments in acquisition and data analysis have emerged to establish NMR as a powerful metric for validating the HOS Critical Quality Attribute of the intact molecule utilizing both 1D and 2D NMR methods.

Fast 1D fingerprinting methods will give a quick answer if the biologic is similar to the reference material. To identify changes at the amino acid level, 2D NMR methods are required. An interlaboratory comparison coordinated by NIST (26 labs involved, different magnetic fields, worldwide) demonstrated both high precision and high reproducibility of the 2D methyl fingerprint NMR method. We will show recently developed and optimized acquisition techniques, including excipient signal removal. We will also introduce a newly developed software that allows an optimal workflow for batch to batch analysis of mAb samples. It provides a robust platform for the repeated application of established, tested and, recently developed data evaluation methods, namely: Profile1D (developed by Amgen) and, BiologicsHOS software (developed through the Bruker and Mestrelab strategic collaboration) which includes CCSD (Combined Chemical Shift Deviation), ECHOS (Easy Comparability of Higher Order Structure) and, PCA (Principal Component Analysis) using either the entire spectrum or peaks. We will demonstrate the workflow, and show pros and cons of the different methods.