S W E M S A  2019

Solutions and Workflows in (Environmental) Molecular Screening and Analysis

Non-Target Screening embedded in (Open Access) Platforms and Multi-Disciplinary Applications

Save the Date

October, 21st -23rd, 2019 in Erding / Munich


Preliminary Programme


Monday 21st October

11.00   

Registration and Vendor Exhibition Opening 

(booth visits 11.00 - 12.00)

12.00

Welcome and Introduction

12.15

What happened since SWEMSA 2016?

     PD. Dr. Thomas Letzel (TUM, Munich, DE)

12.45

Finding small molecules in big data

Assoc. Prof. Dr. Emma Schymanski (LCSB, Uni.Luxembourg, Belvaux, LU)

13.15 - 16.00

Subject Area: Computational Mass Spectrometry

Chair: Assoc. Prof. Dr. Emma Schymanski

13:15   

patRoon: Open source software platform for MS based NTS in the environment

Rick Helmus  (UvA-IBED, Amsterdam, NL)  

13:45

SIRIUS 4 and CSI:FingerID: Turning tandem mass spectra into metabolite structure information

Prof. Dr. Sebastian Böcker (Friedrich-Schiller-University, Jena, DE)

14:15

Monitoring chemical water quality through integration of non-target and ef-fect-based screening

Dr. Andrea Mizzi Brunner (KWR, Nieuwegein, NL)

14:45

The ENTACT story: Using US EPA re-sources to evaluate and enhance non-target workflows

Dr. Jon Sobus (NERL, US EPA, North Carolina, US)

15:15

Panel Discussion regarding:

Computational Mass Spectrometry

16.00 - 16.30

Coffee / Exhibition

16.30-18.30

Subject Area: Non-Target Screening in Forensics

Chair: Prof. Dr. Herbert Oberacher

16.30 

Drug use confirmation by non-target LC-MS/MS

Prof. Dr. Herbert Oberacher (Medical University of Innsbruck, AT)     

17.00

Data-driven analysis in forensic toxicology drug screening

Dr. Christian Brinch Mollerup (University of Copenhagen, DK)

17.30

Metabolite based LC-MSn drug screening for routine analysis - a non-targeted low resolution MS workflow

Dr. Dirk Wissenbach (Rechtsmedizin Jena, DE)

18.00

Panel Discussion regarding:

Non-Target Screening in Forensics

18.30

Evening Lecture 

 

Surprise Lecture 

                                                       Afterwards Bavarian Evening / Vendor Evening

 


Tuesday 22nd October

08.00 

Welcome Words /Conclusion first day

8.05-10.50 

Subject Area: Non-Target Screening in Food(omics)

Chair: Prof. Dr. Elke Richling   

08.05                   

Nutrimetabolomics - About the interac-tion of food with human metabolism

Prof. Dr. Sabine E. Kulling (Max-Rubner-Institut, Karlsruhe, DE)  

8.35

METAVISION: A NMR-based metabono-mics platform

Dr. Jean-Marie Colet (UMONS, Mons, BE)

9.05

Development, validation and accredita-tion of metabolomics approaches - A chemical risk management study in food

Dr. Gaud Dervilly-Pinel (LABERCA, Nantes, FR)

9.35

Metabolomics of plasma and urine as a tool: Nutrikinetics of plant polyphenols

Prof. Dr. Fulvio Mattivi (C3A, San Michele all’Adige, IT)

10.05

Panel Discussion regarding:

Non-Target Screening in Food(omics)

10.50 - 11.10

Coffee / Exhibition

11.10-13.10

Subject Area: Non-Target Screening in Metabolomics 

Chair: Dr. Michael Witting

11.10

Handling and processing of metabolomics data with Bioconductor's MSnbase and xcms packages

Dr. Johannes Rainer (Eurac Research, Bolzano, IT)   

11.40

Metabolome mining and annotation strategies to decipher complex mixtures

Dr. Justin van der Hooft (Wageningen University, Wageningen, NL)

12.10

Network based solutions to improve metabolic profile interpretation

Dr. Fabien Jourdan (INRA, Toulouse, FR)

12.40

Panel Discussion regarding: 

Non-Target Screening in Metabolomics

13.10 - 14.10 Lunch / Exhibition
14.10 - 16.40

Subject Area: Commercial NTS Solutions by LCMS(/MS) Vendors and Others

Chair: PD Dr. Thomas Letzel

14.10

NTS Workflow Presentations (Commercial LC(GC)-MS/MS Solutions) 

(e.g., Agilent, Bruker, Leco, Sciex, Thermo Fisher, Waters) 

15.40

Panel Discussion regarding:

NTS Vendor Solutions- Past, Presence and Future

16.40 - 17.10

Coffee / Exhibition

17.10 - 18.30

Subject Area: Commercial NTS Software Developer Workshop 

Chair: PD Dr. Thomas Letzel

17.10 

NTS Workflow Presentations (Vendor-independent Software Solutions)

(e.g., Lablicate, EnviMass, etc.)

17.40

Panel Discussion regarding:

NTS Software Solutions- Past, Presence and Future 

                                                  Afterwards Evening Event / local event in Erding (incl. sightseeing)

 


Wednesday 23rd October

08.00 

Welcome Words /Conclusion second day

8.05 - 10.20

Subject Area: NTS (Guideline) in Water Analysis

Chair: Prof. Dr. Torsten C. Schmidt

 

            

Organized by the ‘FA Non Target Screening’ (German Water Chemistry Society)

Suspect and non-target screening in water resources

Prof. Torsten Schmidt (Univ. Duisburg-Essen & IWW Water Centre, DE)

Assessment of water treatment processes by NTS

Dr. Tobias Bader (LW, Langenau, DE)

Data Platform for NTS analysis of Rhine water

Dr. Steffen Ruppe (ICPR, EG-SANA and AUE, Basel, CH)

A first guideline towards standardization of non-target screening

Dr. Wolfgang Schulz (LW, Langenau, DE)     

9.50

Panel Discussion regarding:

NTS in Water Analysis - Guideline

10.20 -10.45

Coffee / Exhibition

 10.45 - 13.00

Subject Area: NTS in Environmental Analysis 

Chair: Dr. Jaroslav Slobodnik

10.45 - 12.30

 

 

Organized by the ‘NORMAN network’

Overview on NTS activities in NORMAN

Prof. Dr. Julianne Hollender, (Eawag, CH)

Retention Time Index

Prof. Dr. Nikos Thomaidis, (Uni Athens, GR)

NORMAN MassBank

Dr. Tobias Schulze, (UFZ, DE)

NORMAN Digital Sample Freezing Platform

Dr. Nikiforos Alygizakis, (EI, SK)

NORMAN guideline for NTS

Dr. Martin Krauss, (UFZ, DE)  eria Dulio

12.30

Panel Discussion regarding:

 

Harmonization and application of NTS in Europe

13.00 - 13:15

Wrap Up and Conclusion

13:15 - 14.15

Optional:

Live Presentations of NTS software

SWEMSA 2019 is sponsored by: