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qNMR Summit

Schedule

…in progress
Conference

Schedule

  • DAY 3, FRIDAY, September 20
  • DAY 2: THURSDAY, September 19
  • DAY 1: WEDNESDAY, September 18
DAY 3, FRIDAY, September 20
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Session 8

Session 8 – Software

09:00 – 10:20 – Session Chair: Albert Farre
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Session 8 – Software

Automated NMR Fingerprinting of Poorly Specified Mixtures with Machine Learning

9:00 – Jens Wagner, RPTU Kaiserslautern, Germany
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OLYMPUS DIGITAL CAMERA
Session 8 – Software

ChemisTwin Portal for Automated Quantification of Small Molecules using dRM

9:20 – Roberto Chavez, UCLA + Merck
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Session 8 – Software

Efficient ways for targeted quantitative analysis of metabolomics and food samples

9:35 – Shahriar Jahanbakht, ACD Labs
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Session 8 – Software

Making complex spectra simple to analyze with USP-ID

9:50 – Haris Panagos, Mestrelab Research
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Session 8 – Software

www.NMRium.org: Direct Nmr Spectra Processing with a Web-Based Application

10:05 – Luc Patiny – Zakodium, route d’Echandens, Switzerland

Coffee / Posters / Exhibitors
Group photograph

10:20 – 10:50
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SESSION 9

Session 9 – Food

10:50 – 11:50 – Session Chair: Vito Gallo
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Session 9 – Food

Exploring beer diversity: a combined NMR and LC-MS profiling approach

10:50 – Dessilava Gerginova, Bulgarian Academy of Sciences, Bulgaria
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Session 9 – Food

NMR analysis of food processing wastes and agricultural by-products tailored for valorization and reuse

11:10 – Anatoly Sobolev, Italian National Research Council, Italy
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Session 9 – Food

Analysis and quality evaluation of Earl Grey Tea by similarity calculations, differential NMR and qNMR of its markers

11:30 – Jan Schripsema, UENF, Brazil
The Committee

Concluding remarks

11:50

End of meeting

12:00
DAY 2: THURSDAY, September 19
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Keynote Speaker

Quantitative NMR methods for complex mixture analysis
Patrick Giraudeau, University of Nantes, France

09:00 – 09:45 Keynote Speaker – Introduction: Mike Bernstein
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SESSION 4

Session 4 – Hyperpolarization and qNMR

09:45 – 10:45 – Session Chair: Klas Meyer
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Session 4 – Hyperpolarization and qNMR

NMR-quantification of dilute components in complex mixtures via non-hydrogenative Parahydrogen Induced Polarization

09:45 – Marco Tessari, Radbaud University, Netherlands
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Session 4 – Hyperpolarization and qNMR

Quantitative Online NMR Spectroscopy with Overhauser Dynamic Nuclear Polarization

10:05 – Kerstin Münnemann, RPTU Kaiserslautern, Germany
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Session 4

Presentation of qNMR Summit and Magnethon 2025 in Bari

10:25 – Vito Gallo, Polytechnic University of Bari – Italy

Coffee / Posters / Exhibitors

10:35 — 11:45
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Session 5

Session 5 – Molecular Interactions

11:45 — 12:45 – Session chair: Manuel Perez
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Session 5 — Molecular Interactions

Simple 1H-NMR signatures of intramolecular hydrogen bonding (IMHB) in Small Molecule Drug Discovery

11:45 – Sylvain Demanze, Astra Zeneca, United Kingdom
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Session 5 — Molecular Interactions

Perspectives for parahydrogen-enhanced benchtop NMR spectroscopy for analytical applications

12:05 – Ana Silva Terra (York University), United Kingdom
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Session 5 — Molecular Interactions

Rescaling drug discovery combining hyperpolarization and low field NMR

12:25 – Felix Torres, NexMR, Switzerland

Lunch

12:45 | Restaurant
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SESSION 6

Session 6 – Pharmaceuticals & Co

14:00 – 15:10 – Session chair: Ulrike Holzgrabe
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Session 6 – Pharmaceuticals & Co

NMR spectroscopic study of e-cigarettes: is determination of only nicotine and organic carrier solvents

14:00 – Yulia Monakhova, FH Aachen, Germany
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Session 6 – Pharmaceuticals & Co

Reference Measurement Procedures in Diagnostics

14:20 – Christian Geletneky, Roche Diagnostics, Germany
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Session 6 – Pharmaceuticals & Co

Molecular imaging of long-acting injectable formulations by NMR spectroscopy

14:40 – Todor Koev, Univ. of East Anglia, United Kingdom
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Session 6 – Pharmaceuticals & Co

Biopolymer Assays: The Role of Benchtop qNMR Spectroscopy in Quality Control Environments

14:50 – Alexander Maier, Nanalysis, Canada
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Session 6 – Pharmaceuticals & Co

NMR a valuable tool for quality control in the vaccine industry – Comparison of qNMR with ELISA immunoassay

15:00 – Camille Gouedard, Sanofi

Short Break

15:10 – 15:25
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SESSION 7

Session 7 – Reaction Monitoring

15:25 – 16:05 – Session chair: Klas Meyer
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Session 7 – Reaction Monitoring

Quantitative Analysis in Continuous Flow Benchtop 1H NMR with Paramagnetic Relaxation Enhancement

15:25 – Sarah Mross, RPTU Kaiserslautern, Germany
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Session 7 – Reaction Monitoring

Quantum Model Supported Online Monitoring of Heterogeneous Catalyzed Hydrogenation Reactions

15:45 – Patrick Sterner, RPTU Kaiserslautern, Germany
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Session 7 – Reaction Monitoring

Quantification of monomeric free formaldehyde in aqueous solutions by 1H-NMR spectroscopy

15:55 – Katharina Köhler, RPTU Kaiserslautern, Germany
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SESSION 3

Session 3 – Metrology and Standards (Part 2)

16:05 – 16:45 – Session chair: Markus Obkircher
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Session 3 – Metrology and Standards (Part 2)

Application of Life Cycle Approach to Method Validation of qNMR Analytical Procedure

16:05 – Toru Miura, FUJIFILM Wako, Japan
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Session 3 – Metrology and Standards (Part 2)

qNMR according DIN EN ISO/IEC 17025 and GMP – A comparison of requirements

16:25 – Marcus Maurer, Evonik, Germany
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Session 3 – Metrology and Standards (Part 2)

Development of Certified Reference Materials (CRM) under ISO17034 in Buchs

16:35 – Alexander Rück, Merck, Switzerland

End of Agenda – Day 2

16:45

Events
Merck factory tour
BBQ dinner and drinks (Merck)

17:00 | Merck factory tour
18:00 | BBQ dinner and drinks (Merck)
DAY 1: WEDNESDAY, September 18

Arrival and registration

12:00 | Venue
Coffee & finger food
The committee

Introductory remarks

13:00 | Main hall
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SESSION 1

Session 1 — Physical Behaviour of organic molecules

13:15 — 14:15 – Session chair: Mike Bernstein
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Session 1 — Physical Behaviour of organic molecules

Dissolving the Insoluble: Aqueous pka Determination of insoluble Analytes from Solvent Mixtures Using 1H Chemical Shift Imaging NMR

13:15 – Haider Hussein, Univ. East Anglia, United Kingdom
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Session 1 — Physical Behaviour of organic molecules

Simple method for crystal water determination by quantitative proton NMR spectroscopy in deuterium oxide

13:25 – Tuulia Tynkkynen, University of Eastern Finland, Finland
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Session 1 — Physical Behaviour of organic molecules

A multinuclear approach for pH determination with NMR spectroscopy

13:45 – Jakob Waldthausen, Spectral Service, Germany
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Session 1 — Physical Behaviour of organic molecules

Finding functionality in complex mixtures using pH gradients in organic solvents

13:55 – Matthew Wallace, Univ. of East Anglia, United Kingdom

Sponsor Presentations

14:05 – 15:15

Coffee / Posters / Exhibitors

15:15 – 16:00
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SESSION 2

Session 2 – Forensics & more

16:00 — 17:00 – Session chair: Ulrike Holzgrabe
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Session 2 – Forensics & more

Advancing Quality Control of Medicinal Cannabis: NMR Spectroscopy for Comprehensive Analysis

16:00 – Nadine Peez, Spectral Service, Germany
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Session 2 – Forensics & more

Application of NMR in the Analysis of Illicit Drugs

16:15 – Larissa See, Health Sciences Authority, Singapore
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Session 2 – Forensics & more

Quantitative Analysis of Isotopes from NMR-active and non-active nuclei

16:40 – Bernd Diehl, Spectral Service, Germany
Session 3 – Metrology and Standards

Small Break

17:00
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SESSION 3

Session 3 – Metrology and Standards (Part 1)

17:00 — 17:40 – Session chair: Markus Obkircher
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Session 3 – Metrology and Standards

qNMR as a ‘selective’ analytical balance – case study: freeze-dried oxytocin

17:00 – Matthias Weber, EDQM, France
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Session 3 – Metrology and Standards

Application of quantitative 19F- and 31P-NMR for absolute purity determination of pharmaceuticals and their method validation

17:20 Nahoko Uchiyama, NIHS, Japan
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Session 3 – Metrology and Standards

Simple, Fast and Quantitative 1D 1H NMR method for enantio-discrimination of Zeaxanthin

17:30 – Joep van Rijn, DSM-Firmenich, Netherlands
The Commitee

End of agenda

17:40 | Main hall

Gala event: Walensee lake cruise and dinner

17:45 | Pick up in front of the BZBS Mehrzweckhalle
18:30 | Arrival to Walensadt/Walensee
18:45 | Start of the lake cruise
21:45 | End of the lake cruise and pick up to come back to Buchs
22:30 | Drop at Buchserhof Hotel
Venue

BZBS Mehrzweckhalle

Hanflandstrasse 17, 9470 Buchs SG

Social Events

  • Walensee lake cruise and dinner
  • Merck factory tour & BBQ dinner
Walensee lake cruise and dinner
Day 1 – Gala event – 17:45 | Pick up in front of the BZBS Mehrzweckhalle – 18:30 | Arrival to Walensadt/Walensee – 18:45 | Start of the lake cruise – 21:45 | End of the lake cruise and pick up to come back to Buchs – 22:30 | Drop at Buchserhof Hotel
Merck factory tour & BBQ dinner
2nd Day – Event – 17:00 | Merck factory tour – 18:00 | BBQ dinner and drinks (Merck)
Abstract

Important notes

Quickly deploy strategic networks with compelling e-business. Credibly pontificate highly efficient manufactured products and enabled data.

Session guidelines

The conference will take place over 3 days, and comprise oral and poster presentations. The event will not be streamed.

Speaker Guidelines

The conference language is English

Audiovisual Policy

No audio or video registration of the session will be allowed

Conference venue

All talks will be held at the BZBS Mehrzweckhalle