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

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

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

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, …)  Effect-Directed Analysis (EDA) Often observed: Predicted effects based on target monitoring  measured effects Field based: Effect-Directed Analysis

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

thyroid hormone disturbing potency estrogenicity tumor promotion (inhibition of GJIC) number of positive wells TA98 TA98 with metabolic activation mutagenicity PCBs, PCDD/Fs, halogenated pesticides PAHs polar compounds EDA in sediments typically monitored in sediments most problematic compounds EDA of Sediments Conclusions on priority fractions may be drawn: Focus on polar fractions/compounds rather than PCBs, PAHs, HCB …….

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

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

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

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

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