qNMR Summit, March 16-17, 2017

Date: March, 16th–17th 2017

Location: Bundesanstalt für Materialforschung und -prüfung (BAM)
Branch Adlershof
Richard-Willstätter-Str. 11
12489 Berlin
Germany

Building 8.05 / Lecture Hall 201 + 202

 

Target:

  • Discussion of the current status of qNMR
  • Scientific exchange concerning, ISO17025, validation, ring tests, quantification capabilities, and statistical methods
  • Enhanced cooperation of all qNMR groups at international level
  • Public discussion platform to promote know-how transfer
  • Support of co-operation for harmonization

 

Participants from:

  • Mestrelab Research, UK
  • Bayer AG, Monheim, DE
  • Bayer AG, Berlin, DE
  • Bayer AG, Wuppertal, DE
  • Bruker BioSpin, DE
  • Lonza AG, CH
  • Roche Diagnostics GmbH, DE
  • European Directorate for the Quality of Medicine &Healthcare, BE
  • JEOL UK, Ltd., UK
  • JEOL Germany GmbH, DE
  • JEOL Resonance Inc., JP
  • Bundeskriminalamt (Federal Criminal Police Office), DE
  • Bundesanstalt für Materialforschung und -prüfung BAM, DE
  • Currenta GmbH & Co. KG, DE
  • Henkel AG & Co. KGaA, DE
  • Ruhr-University Bochum, DE
  • Simon Fraser University, CA
  • Spectral Service AG, DE
  • Technical University Kaiserslautern, DE

 

Schedule

 

March, 16th 2017

09:00 – 12:00  Workshop (optional)
Workshop welcome and coffee – 15 min
Guided tour BAM NMR labs – 45 min
…..400 + 600 MHz qNMR Labs (D. Pfeifer)
…..500 MHz Reaction Monitoring Labs (K. Meyer)
Workshop I: Automated Data Preparation and Spectral Modeling (S. Kern, K. Meyer, M. Maiwald) – 60 min
Workshop II: High-Precision qNMR Measurements by a Double Integration Procedure (T. Schönberger and M. Bernstein) – 60 min

12:00–14:00  Lunch/Finger food – Registration

14:00–15:20  Session 1 (Chair: M. Maiwald)
14:00–14:20  Dr. James Hook, The University of New South Wales Australia, Sydney, Australia
…..“17O qNMR for direct detection of Oxygenates”
14:20–14:40  Prof. Dr. Ulrike Holzgrabe, University of Würzburg, Germany
…..“Purity evolution of white waxes and Vaseline”
14:40–15:00  Dr. Birk Schütz, Bruker BioSpin GmbH, Rheinstetten, Germany
…..“Accredited targeted and non-targeted 1H-NMR based Methods for Authenticity and Quality Control of Food”
15:00–15:20  Michael A. Bernstein, Mestrelab Research, United Kingdom
…..“Making qNMR Analysis Robust”

15:20–16:00  coffee

16:00–18:15  Session 2 (Chair: U. Holzgrabe)
16:00–16:20  Dr. Klas Meyer, BAM, Berlin, Germany
…..“High-pressure qNMR in condensed- and gas-phase towards determination of impurities and compositions of gas mixtures”
16:20–16:40  David Möller, Ruhr-University Bochum, Germany
…..“NMR for the exact quantification of natural products from complex mixtures in fermentations”
16:40–17:00  Dr. Bernd Diehl, Spectral Service, Cologne, Germany
…..“Results and Duties of qNMR Summit, Oct 6th+7th, 2016, Rockville (MD), USA, organized by the United States Pharmacopoeia (USP) and the UIC Center for Natural Product Technologies (CENAPT)”

17:00–18:15  Open Space Discussion
Parallel moderated topics – participants discuss at three bulletin boards A to C while a “convener” guides the conversation and takes notes

(A)  Requirements to qNMR Software (Moderation: M. Maiwald)
Currently special needs to qNMR data preparation and data analysis methods are implemented into vendor software. Point out best practice, state-of-the-art, further needs, and special requirements.

(B)  qNMR interlaboratory comparisons (Moderation: E. Zailer)
Collect ongoing and scheduled qNMR interlaboratory comparison studies. Point out further needs and requirements. Offer studies as pilot labs.                                                      

(C)  qNMR Method Collection and their individual validation needs (Moderation: U. Holzgrabe)
In which applications should which parameters be validated? There are differences for, e.g.,1D 1H single pulse experiment in comparison to non-target analysis using chemometrics. Objective: e.g., creation of a clear sight picture

19:15  Social event

March, 17th 2017

08:30–09:50  Session 3 (Chair: T. Schönberger)
08:30–08:50  Dr. Dietmar Pfeifer, BAM, Berlin, Germany
…..“Accurate qNMR signal integration”
08:50–09:10  Patrick Jonas, Sectral Service, Cologne
…..“Quality Improvement in qNMR Spectroscopy”
09:10–09:30  Toru Miura, Wako Pure Chemical Industries, Ltd., Japan
…..“Current Status of Japan’s qNMR Technology Including Japanese Pharmacopoeia and Japanese Industrial Standard”
09:30–09:50  Dr. John Warren, LGC, United Kingdom
…..“Validation strategies for quantitative 2D NMR assays”

09:50–10:30  coffee

10:30–11:30  Session 4 (Chair: E. Zailer)
10:30–10.50  Prof. Dr. Vito Gallo, DICATECh – Technical University of Bari, Bari, Italy
…..“Interlaboratory comparison for NMR methods validation and for setup of new metrics in performance assessments”
10:50–11.10  Dr. Andrew Lewis, Verity Analytics, Canada
…..“Quantitative NMR Imaging: An Investigation of Rice Cooking”
11:10–11.30  Torsten Schönberger, Bundeskriminalamt, Wiesbaden, Germany
…..“Results and Duties of Third Annual Validation Workshop at PANIC, Feb 24th, 2017 Hilton Head Island (SC), USA”

11:30–13:00  Open Space Discussion
Parallel moderated topics – participants discuss at three bulletin boards D and E while a “convener” guides the conversation and takes notes

(D)  Duties and Responsibilities of qNMR validation (Moderation: B. Diehl)
Outgoing from the recent activities (PANIC Workshops and qNMR Summits in Cologne and Rockville) duties and responsibilities have to be addressed in order to get things done.

(E)  Setting up the qNMR WIKI (Moderation: T. Schönberger)
One of the outcomes from the PANIC validation workshop 2016 was the provision of a free online encyclopedia that aims to allow anyone to edit articles while observed by an editorial board. Such a qNMR WIKI is now available and has to be filled with contents.            

13:00–14:00  Lunch/Finger food

14:00  End of event