Effect-Directed Analysis for Identification of RBSP

1. Effect-Directed Analysis for Identification of RBSP Werner Brack Department for Effect-Directed Analysis, Helmholtz Centre for Environmental Research UFZ, Leipzig, Germany

2. Objectives of EDA • Include effects into monitoring • Include unknown or unexpected toxicants in monitoring • Get information on the environmental relevance of classical target monitoring • Identify new toxicants that may have been overlooked • Derive candidate compounds for prioritisation and monitoring

3. Field based: Effect-Directed Analysis First Step: Effect Monitoring Example: Detection of in vitro and in vivo Effects in three River Basins low pollution Elbe Llobregat Scheldt hot spots of mutagenicity, estrogenicity and dioxin-like toxicity

4. Field based: Effect-Directed Analysis Often observed: Predicted effects based on target monitoring  measured effects  Effect-Directed Analysis (EDA) • Site selection: Effect monitoring + expert knowledge on sources and sinks • No a priori knowledge on or selection of compounds required • Applicable to any matrix (water, sediments, biota, …)

5. EDA of Sediments Conventional sediment assessment: Focus on non-polar priority pollutants PAHs, chlorinated pesticides (DDT, HCH, HCB, aldrin, dieldrin…) and PCBs and PCDD/Fs

6. EDA of Sediments EDA in sediments 50 mutagenicity 40 30 tumor promotion (inhibition of GJIC) number of positive wells TA98 20 TA98 with metabolic activation 10 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 thyroid hormone disturbing potency estrogenicity Conclusions on priority fractions may be drawn: Focus on polar fractions/compounds rather than PCBs, PAHs, HCB ……. PCBs, PCDD/Fs, halogenated pesticides PAHs polar compounds typically monitored in sediments most problematic compounds

7. EDA of Sediments: Identified Compounds Non-regulated compounds identified by EDA studies in sediments (algal toxicity, androgenicity, mutagenicity) nandrolone 2-methylanthra-quinone benzanthrone dinitropyrenes tonalide N-phenyl-2-naphthylamine galoxolide traseolide tris(2-chloroisopropyl) phosphate triclosan prometryn

8. Challenge: Identification of Water Contaminants • We need a good and common strategy • We need European collaboration for a common database

9. Strategy: Identification of Water Contaminants water sample TIER 1 TIER 2 on-site pre-concentration (SPE) GC/MS and accurate mass LC-MS/MS bioassays non-target screening multi-target screening bioscreening target compounds new compounds measured effects predicted effects agreement? TIER 3 toxicants yes no fractionation measured effects

10. Conclusions • TIER 1 EDA provides quality control: What are major hazards? Which percentage do we explain with target analysis? What data are missing? • TIER 2/3 EDA helps to fill the gap. • Isolation and structure elucidation of unknowns is a challenge requiring European and worldwide collaboration: • common databases and computer tools, sharing of data and standards  WG on Effect-directed analysis for hazardous pollutant identification http://www.norman-network.net/index_php.php?module=public/about_us/home

11. Thank you for your attention!