You are here:
Non-target Screening for Holistic Chemical Monitoring and Compound Discovery: Open Science, Real-time and Retrospective Approaches
Citation:
Schymanski, E., R. Aalizadeh, N. Alygizakis, J. Hollender, M. Krauss, T. Schulze, J. Slobodnik, N. Thomaidis, AND A. Williams. Non-target Screening for Holistic Chemical Monitoring and Compound Discovery: Open Science, Real-time and Retrospective Approaches. Presented at Society of Environmental Toxicology and Chemistry Europe Annual Meeting, Rome, N/A, ITALY, May 13 - 17, 2018. https://doi.org/10.23645/epacomptox.6945635
Impact/Purpose:
Using a variety of case studies from Europe, this talk will highlight how open science activities such as MassBank.EU, the NORMAN Suspect Exchange and NORMAN Digital Sample Freezing Platform as well as the US EPA CompTox Chemistry Dashboard can support non-target screening. To be presented at the Society of Environmental Toxicology and Chemistry (SETAC) Europe Annual Meeting in May 2018.
Description:
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.
URLs/Downloads:
DOI: Non-target Screening for Holistic Chemical Monitoring and Compound Discovery: Open Science, Real-time and Retrospective Approaches
SETAC_ROME_NTSFORCHEMICALDISCOVERY_V2.PDF (PDF, NA pp, 4810.523 KB, about PDF)