qNMR Summit 2017 in Berlin - program updated

Summit 2017

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March, 16th–17th 2017            Berlin, Germany


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

Building 8.05/Lecture Hall 201 + 202


  • 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

And further 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
  • Technical University Kaiserslautern, DE



Participants of qNMR Summit 2017 in Berlin, March 16th-17th, 2017



Schedule (As at February, 20th 2017 - may be due to changes)

March, 16th 2017       (Thursday)      

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

                                            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                          Dr. Michael A. Bernstein, Mestrelab Research, United Kingdom
  “Making qNMR Analysis Robust”

15:20–16:00                          coffee

                                            Session 2 (Chair: U. Holzgrabe)

16:00–16:20                          Dr. Klas Meyer, BAM, Berlin, Germany
                                            “High-pressure qNMR spectroscopy 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 (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 (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 (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                                      bus transfer from Adlershof to central Berli

20:00                                      Social Program (central Berlin near Hackescher Markt)
                                                  Brauhaus Lemke
                                                  DIRCKSENSTRASSE, S-BAHNBOGEN 143, 144
                                                  10178 BERLIN-MITTE
                                                  TEL +49 (30) 247 287 27

~23:00                                    bus transfer from central Berlin to Adlershof


March, 17th 2017  (Friday)

                                          Session 3 (Chair: T. Schönberger)

08:30–08:50                        Dr. Dietmar Pfeifer, BAM, Berlin, Germany
                                          “Accurate qNMR signal integration” (Working Title)

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

                                          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 (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 (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


Local Organizing Committee

Prof Ulrike Holzgrabe, University of Würzburg
Prof Nils Schlörer, University at Cologne
Michael Maiwald, BAM, Berlin
Torsten Schönberger, BKA, Wiesbaden
Frank Malz, Fraunhofer LBF, Darmstadt
Bernd Diehl, Spectral Service AG, Cologne
Elina Zailer, Spectral Service AG, Cologne


Contact and Organizer

Bundesanstalt für Materialforschung und -prüfung (BAM)
Dr. Michael Maiwald
Richard-Willstätter-Str. 11
12489 Berlin Germany
e-mail This email address is being protected from spambots. You need JavaScript enabled to view it.
phone +49 30 81 04 – 11 40

BAM Website


Conference Website

http://nmrvalidation.org --> Upcoming events



We thank our sponsors for supporting this event

Mixer and Drinks  

Dinner contribution


Nearby Hotels

DORINT Hotel Berlin Adlershof
Rudower Chaussee 15, 12489 Berlin (Adlershof), Germany
Phone +49 30 6 78 22 – 0
Fax +49 30 6 78 22 – 10 00
Reservations +49 30 6 78 22 – 5 10
e-mail This email address is being protected from spambots. You need JavaScript enabled to view it.
Internet http://www.dorint.com/berlin-adlershof

Airporthotel Berlin-Adlershof
Rudower Chaussee 14, 12489 Berlin (Adlershof), Germany
Phone +49 30 7 20 22 22 – 0 00
Fax +49 30 7 20 22 22 – 1 00
e-mail This email address is being protected from spambots. You need JavaScript enabled to view it.

pentahotel Berlin-Köpenick
Grünauer Straße 1, 12557 Berlin (Köpenick)
Phone +49 30 6 54 79 - 0
Fax +49 30 6 54 79 - 5 55
e-mail This email address is being protected from spambots. You need JavaScript enabled to view it.



Nearby Airports

Berlin Schönefeld Airport SXF (aka Flughafen Berlin Brandenburg BER) (15 min by train to BAM)

Berlin Tegel Airport TXL
(40-50 min by taxi or 60 min by train to BAM)


Public transport

from inner Berlin 40-60 min to S-Bahn station “Adlershof” plus 15 min walk to BAM



First Circular and preliminary registration form

Local area Map BAM Branch Adlershof, Berlin, Germany


Links to former qNMR meetings




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