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SETAC Special Session: Solutions for emerging pollutants – Towards a holistic chemical quality status assessment in European freshwater resources
Non-target Screening for Holistic Chemical Monitoring and Compound Discovery: Open Science, Real-time and Retrospective Approaches
Emma L. Schymanski [1*], Reza Aalizadeh , Nikiforos Alygizakis , Juliane Hollender , Martin Krauss , Tobias Schulze , Jaroslav Slobodnik , Nikolaos S. Thomaidis  and Antony J. Williams 
 Luxembourg Centre for Systems Biomedicine (LCSB), University of Luxembourg, Luxembourg
 National and Kapodistrian University of Athens, Department of Chemistry, Athens, Greece.
 Environmental Institute, Koš, Slovak Republic
 Eawag: Swiss Federal Institute for Aquatic Science and Technology, Dübendorf, Switzerland
 UFZ – Helmholtz Centre for Environmental Research, Leipzig, Germany
 National Centre for Computational Toxicity, US EPA, Research Triangle Park, Durham, NC, USA
*presenting author: firstname.lastname@example.org
Keywords: Non-target screening, Open Science, Mass Spectrometry, Monitoring
Non-target screening (NTS) with high resolution mass spectrometry (HR-MS) provides opportunities to discover chemicals, their dynamics and effects on the environment far beyond the current 45 “priority pollutants” or even “known” chemicals. Open science and the exchange of information (between for example scientists and regulatory authorities) has a critical role to play in the continuing evolution of NTS. Using a variety of case studies from Europe, this talk will highlight how open science activities such as MassBank.EU (https://massbank.eu), the NORMAN Suspect Exchange (http://www.norman-network.com/?q=node/236) and NORMAN Digital Sample Freezing Platform (http://norman-data.eu) as well as the US EPA CompTox Chemistry Dashboard (https://comptox.epa.gov/dashboard/) can support NTS. Further, it will show how initiatives such as near “real time” monitoring of the River Rhine and retrospective screening via so-called “digital freezing” platforms have opened up new potential for exploring the dynamics and distribution even of as-yet-unidentified chemicals. Collaborative European and international activities facilitate data exchange amongst analytical data scientists and enable quick, effective and reproducible provisional compound identification in digitally archived HR-MS data. This is leading to new ways of assessing and prioritizing the next generation of “emerging pollutants” in the environment, enabling a pro-active approach to environmental assessment unthinkable only a few years ago. Note: This abstract does not reflect US EPA policy.