© 2019  PANIC

Posters

P1.  Interaction of Beta-2-Adrenoceptor Ligands with Dodecyl Phosphocholine Detergent Micelles

Charles Babu, Novartis,

B. Wang, A. Graboski

 

P2.  Bayesian Framework for Efficient Quantitative Analysis of Arrayed NMR Experiments

Daniel J. Holland, University of Canterbury,

Y. Matviychuk, E. Steimers, A. Friebel, E. von Harbou, K. Münnemann

 

P3.  NMR-based Metabolomics for Classification and Characterization of Tea Extracts

Congmei Cao, Herbalife,

H. Ma, S. Babajanian, Q. Gao, Y. Zhang, P. Chang, G. Swanson

P4.  Nicotine and Its Effect on Degradation in Electronic Cigarettes by 1H NMR 

Anna Duell, Portland State University,

D. Peyton

 

P5.  Analysis of a Coating Solution in a Manufacturing Environment Using Benchtop NMR

Paul Bowyer, Magritek Inc.,

T. Gregar

 

P6.  Integrating Benchtop NMR Into an Industrial Environment: Opportunities and Challenges

Paul Bowyer, Magritek Inc.,

H. Robert

P7. MR Microimaging and Spectroscopy in Consumer Products Research

Nicole Westrick, (Presented by: Jackie Thomas and Carrie Furnish), Procter and Gamble,

D. Maltbie, T. Dicolandrea

P8.  Determination of LDPE Content in LDPE/LLDPE Blends via 13C NMR Method

Masud Monwar, Chevron Phillips Chemical Company LP,

Y. Yu

P9.  A Computational Approach to Simulate NMR Data from Digital Porous Media

Everton Lucas de Oliveira, Instituto de Fisica de Sao Carlos,

T. Bonagamba, A. Araujo-Ferreira, W. Trevizan, V. de França Machado, B. Coutinho Camilo dos Santos

P10.  Benchtop NMR Spectroscopy Enables in-situ Studies of Phase Equilibria and Batch Distillation

Anne Friebel, Technical University of Kaiserslautern,

K. Münnemann, E. von Harbou, H. Hasse

P11.  Quantification of Fast Flow NMR Measurements by Modeling of Magnetization Build-Up

Anne Friebel, Technical University of Kaiserslautern,

E. von Harbou, K. Münnemann, H. Hasse

P12.  Chemometric Workflows for 2D NMR

Bryan Hanson, DePauw University

P13.  The Structure of Asphaltene Aggregates Investigated by Solution and Solid State NMR

Paul Hazendonk, University of Lethbridge,

Y. Ratna, M. Gerken

P14.  Can We Use TD-NMR for the Quality Characteristics of Soft Candies?

Mecit Oztop, Middle East Technical University,

E. Ates, E. Ozvural

P15.  Magnetic Field Effect on Electrochemical Reactions Monitored in-situ by High Field NMR Spectrometers
Carlos Lobo, Instituto de Quimica de Sao Carlos,

B. Gomes, P. da Silva, E. Danieli Magritek, M. Carmo, S. Benders, B. Blümich, L. Colnago

P16.  Use of Inductively Coupled Coils for Electrochemistry-NMR Coupling

Carlos Lobo, Instituto de Quimica de Sao Carlos,

B. Gomes, H. Bouzouma, E. Danieli, B. Blümich, L. Colnago

P17.  Getting Ahead of the Game: Complete Analysis of New Psychoactive Substances

Eduardo Nascimento, Bruker

P18.  Towards Accurate Uncertainty Estimation in Model-based Analysis of NMR Data

Yevgen Matviychuk, University of Canterbury,

E. Steimers, E. Kessler, E. von Harbou, K. Münnemann, D. Holland

P19.  NMR and the Materials Genome Initiative

Ryan Nieuwendaal, NIST,

E. Anderson, V. Witherspoon, C. Soles, D. DeLongchamp, D. Reid, J. de Pablo


P20.  Reaction Monitoring using Quantitative NMR (qNMR) and Process Analytical Technology (PAT)

Toru Miura, FUJIFILM Wako

P21.  Applications of Atomic Magnetometers in NMR and MRI

Igor Savukov, LANL,

Y. Kim

P22.  Facile Smart LF-NMR Relaxometer for Monitoring of Food Product's Oxidation

Zeev Wiesman, Ben Gurion University of the Negev

P23.  Site-Specific Natural Abundance Isotope Fractionation NMR 13C/12C Ratios (SNIF-NMR) as High Fidelity Chemical Attribution Signatures for Chemical Threat Agents

Robert Williams, LANL,

R. Michalczyk, M. Alvarez, Z. Li

P24.  Using Predicted 13C NMR Spectra with Open Resources for Structure Dereplication of Natural Products

Arvin Moser, ACD/Labs,

D. Argyropoulos, S. Golotvin, T. Chilczuk, T. Niedermeyer

P25.  A New Method for the Reliable Detection of 13C Multiplets of Fluorine Containing Compounds

Dimitris Argyropoulos, ACD/Labs,

S. Golotvin, R. Pol, V. Mikhailenko

P26. Application of NMR in the Surveillance of Drug Products: Two Recent Case Studies

Qin Shu, US Food and Drug Administration,

J. Yang, P. Chitranshi, D. Willett, M. Karfunkle, J. Rodriguez, and D. Keire


P27.  Use of High Resolution 2D NMR Methods to Characterize Physicochemical Liabilities of Monoclonal Antibodies

Subhabrata Majumder, Pfizer Inc.

A. Saati, S. Philip, L. Marzilli, J. Rouse, M. Jones, A. Alphonse Ignatius


P28.   WIFI-NMRS: Inductive Coupling and Flow for Increased NMR Sensitivity

Guillaume Carret, Cortecnet,

P. Berthault, T. Berthelot

P29.  qHNMR of Tetrahydrocannabinol (THC) in Edibles and Plant Materials

Charlotte Corbett, DEA,
E. Guest

P30.  Detection and Determination of Adulterants in Aloe vera Using NMR

Isaac Lee, Herbalife,

Q. Gao, J. Vo, H. Ma, P. Purohit, V. Zarraga, P. Chang, G. Swanson

P31.  Block-Copolymer Micelles for Tunable Cargo Delivery: Structure, Dynamics and Molecular Partitioning Investigated by NMR Diffusometry

Xiuli Li, Virginia Tech,

L. Madsen, B. Kidd, T. Cooksey, M. Robertson

P32.  Developing a Direct NMR Method to Measure Chemical Exchange in Aqueous Systems

Samantha Miller, Colorado State University,

N. Levinger, B. Wiebenga-Sanford

P33.  High-Accuracy Analysis of Gas-Phase Mixtures by 1H NMR: Application to Vapor-Liquid Equilibrium of Refrigerant Mixtures

Jason Widegreen, NIST,

C. Suiter, M. McLinden, T. Bruno

P34.  New Insights on Drug Location inside Crystalline g-Cyclodextrin MOFs by Solid-State NMR Spectroscopy and Molecular Modeling

Charlotte Martineau-Corcos, University of Versailles,

R. Gref, L. Xue, M. Porcino, A. Zenacker, M. Menendez, J. Zhang

P35.  Water Flow-NMR—A Prospective Contact-Free In-Line Analytical Tool for Continuous Biomanufacturing

Marc B. Taraban, University of Maryland,

K. Briggs, Y. Yu

P36.  Development of Certified Reference Materials (CRM) for Quantitative Nuclear Magnetic Resonance (qNMR) as Ampuled Solutions

Alexander Rueck, Sigma-Aldrich,

R. Rigger, C. Hellriegel, K. Breitruck, M. Obkircher

P37.  Use of CRAFT for Automatic 1D and 2D Quantification with Batch Analysis

Ronald Crouch, JEOL-USA,

M. Borchers, T. Komatsu, K. Krishnamurthy

P38.  Certification of Marine Toxins by Quantitative NMR at the Highest Metrological Level

Markus Obkircher, Millipore Sigma

P39.  Interlaboratory Comparison of Benchtop NMR Spectrometers – Purities at 200 and 10 mmol/L

Klas Meyer, Bundesanstalt für Materialforschung und -prüfung (BAM),

C. Peters, M. Maiwald

P40.  Quantification of Natural Products in Herbal Supplements by a Combined 1D and 2D qNMR Approach

Phuong Mai Le, National Research Council Canada,

C. Milande, E. Martineau, P. Giraudeau, J. Farjon

P41.  Tackling ‘Dark’ Uncertainty in SI Traceable qNMR Analysis of Peptides and Glycans

Cailean Clarkson, LGC

P42.  Flexible Automation with Compact NMR Instruments

Simon Kern, Bundesanstalt für Materialforschung und -prüfung (BAM),

L. Wander, K. Meyer, S. Guhl, A. Mukkula, M. Holtkamp, M. Salge, C. Fleischer, N. Weber, R. King, S. Engell, A. Paul, M. Remelhe, M. Maiwald

P43.  Toward an NMR-based Monitoring of Coffee Origin? An Industrial Case-Study

Raphael Recht, Aeriel,

L. Febvay, D. Aoudé-Werner, V. Viraswami, H. This, E. Hamon

P44.  Fast, Accurate and Precise Automated Gravimetric Sample Preparation Applied to NMR-based Authenticity Control of Honey and Olive Oil

Nutsima Schnell, Mettler Toledo,

P. Weinelt, G. Hofmann, B. Schuetz, A. Steck

P45.  Detection and Structural Characterization of Ultra-weak Biomolecular Interactions Using Lanthanides

Madeleine Strickland, National Institutes of Health,

A. Opina, L. Ehrlich, S. Watanabe, R. Swenson, O. Vasalatiy, C. Carter, N. Tjandra

P46.  The Automated Assignment of Carbohydrate Spectra via NMR Spectroscopy

Elaine K. Adair, University of Edinburgh,

D. Uhrin

P47.  A Versatile Expression and Purification Method for Isotopically Labeled β-Amyloid Family

Bharat Somireddy Venkata, The University of Chicago,

J. Zerweck, P. Moore, S. Meredith

P48.   Single Pulse NQR for Broad Resonance Lines

Thai Ly, CSIRO Mineral Resources,

R. Yong, J. Daniels, D. Miljak

P49.  Accelerating Chemical Process Development and Manufacturing – Design and Validation of an Integrated NMR Micro Mixer

Martin Bornemann, Bundesanstalt für Materialforschung und -prüfung (BAM),

S. Kern, N. Jurtz, M. Kraume, M. Maiwald

P50. Characterizing Dynamic Allosteric Changes in Antibody-Antigen Interactions
Gaohua Liu, Nexomics Biosciences, Inc.
A. Gibbs, R. Steele, J. Liang, T. Yang, G. Montelione, R. Xiao

P51.  See SIERRA and SMILE:  Removal of Excipient Peaks in 1H,13C Spectra of Protein Therapeutics at Natural Isotopic Abundance by Selective Suppression of Spin Pairs Augmented by Signal Modeling and Subtraction
Frank Delaglio, NIST,
J. Marino, L. Arbogast, J. Ying

P52. Method Development and qNMR Analysis of Medical Cannabis and CBD Products
Kristie M. Adams, Steelyard Analytics, Inc.,
E. Zailer, A. Formes, B. Diehl

P53.  Interrogation of Teflon® AF by 19F 2D PASS NMR

Michael C. Davis, Chemours,

P. Brothers

P54.  Reducing NMR Tube Volume Variation, a Source of Error in External qNMR, by Implementation of 2H Experiment

Jason Ewanicki, Pfizer Inc.,

W. Wang

P55. Innovative Capabilities at the EMSL User Facility to Support the Study of Materials and Biosystems with NMR Spectroscopy

John R. Cort, Pacific Northwest National Laboratory,

S. Burton, Y. Chen, E. Eder, M. Froehlke, K. Sung Han, D. Hoyt, W. Kew, A. Lipton, H. Mehta, T. Palazzo, J. Sears Jr., E. Walter, N. Washton, A. Wong, R. Young

 

P56.  Multi-exponential T2 Relaxometry Analysis Based on a New Denoising and Modified MDL/Matrix Pencil Algorithms

Santiago Ponte, Vadim Zorin, Carlos Cobas, Mestrelab Research

S. Sykora, E. Maria Vasini, M. Silva Elipe

 

P57. Mgears- Mnova General Enterprise Automation Rapid Solution

Santiago Dominguez, Irakusne Lopez, Agustín Barba, Esther Vaz, Pablo Monje, Mestrelab Research