Work package

Deliverables

WP1

Wide-scope Targeted Screening Methods

Targeted and non-targeted liquid chromatography - mass spectrometric workflows for identification of transformation products of emerging pollutants in the aquatic environment

Trends in Analytical Chemistry 66 (2015) 32–44.

http://dx.doi.org/10.1016/j.trac.2014.11.009

IDENTIFICATION OF BIOTRANSFORMATION PRODUCTS OF CITALOPRAM FORMED IN ACTIVATED SLUDGE

Water Research, 2016, 103, 205–214.

http://dx.doi.org/10.1016/j.watres.2016.07.029

WP2

Wide-scope Non-Targeted Screening Methods

Extended Suspect and Non-Target Strategies to Characterize Emerging Polar Organic Contaminants in Raw Wastewater with LC-HRMS/MS 

Environmental Science & Technology, 2015, 49, 12333−12341.

http://pubs.acs.org/doi/10.1021/acs.est.5b03454

Quantitative structure-retention relationships models to support non-target high resolution mass spectrometric screening of emerging contaminants in environmental samples

Journal of Chemical Information and Modeling, 2016, 57, 1384–1398.

http://pubs.acs.org/doi/abs/10.1021/acs.jcim.5b00752

Non-target analysis of environmental samples based on liquid chromatography coupled to high resolution mass spectrometry (LC-HRMS)

Comprehensive Analytical Chemistry, 2016, 71, 381-403

http://dx.doi.org/10.1016/bs.coac.2016.01.012

WP3

Biodegradation and ozonation experiments

Ozonation of ranitidine: effect of experimental parameters and identification of transformation products

Science of the Total Environment, 2016 557-558, 170-182.

http://dx.doi.org/10.1016/j.scitotenv.2016.03.026

Chlorination of benzothiazoles and benzotriazoles  and transformation products identification by LC-HR-MS/MS

Journal of Hazardous Materials, 2016, in press

http://dx.doi.org/10.1016/j.jhazmat.2016.03.035

WP4

New designer drugs

Highly sensitive determination of 68 psychoactive pharmaceuticals, illicit drugs, and related human metabolites in wastewater by liquid chromatography–tandem mass spectrometry

Anal Bioanal Chem (2014) 406:4273–4285 

http://link.springer.com/article/10.1007%2Fs00216-014-7819-3

Simultaneous determination of 148 pharmaceuticals and illicit drugs in sewage sludge based on ultrasound-assisted extraction and liquid chromatography–tandem mass spectrometry

Anal Bioanal Chem (2015) 407:4287–4297

http://link.springer.com/article/10.1007%2Fs00216-015-8540-6

Multi-residue determination of 10 selected new psychoactive substances in wastewater samples by liquid chromatography – tandem mass spectrometry

Talanta (2015) 144:592–603

http://www.sciencedirect.com/science/article/pii/S003991401530120X

Occurrence and spatial distribution of 158 pharmaceuticals, drugs of abuse and related metabolites in offshore seawater

Science of the Total Environment 541 (2016) 1097–1105

http://dx.doi.org/10.1016/j.scitotenv.2015.09.145

Reflection of socio-economic changes in wastewater: licit and illicit drug use patterns

Environmental Science & Technology, 2016, in press

http://pubs.acs.org/doi/abs/10.1021/acs.est.6b02417