Suspect and Non-target Screening Methodologies for the Evaluation of the Behaviour of Polar Organic Micropollutants and
The evaluation of water treatment systems in terms of presence, fate and removal of organic micropollutants is of paramount importance for the optimal protection of both the environment and human health. In this regard, there are significant gaps in the e
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Contents 1 Introduction 2 LC-HRMS-Based Analytical Methodologies 2.1 Sampling Strategy and Sample Pretreatment 2.2 Sample Extraction and Instrumental Analysis 3 Strategies for the Evaluation of the Behaviour of Organic Micropollutants During Wastewater Treatment 3.1 Data Preprocessing 3.2 Prioritisation Strategies 3.3 Suspect/Non-target: Identification Approaches of Polar Organic Contaminants 3.4 Novel Non-target Strategies to Assess Changes in the Molecular Fingerprints Without Structural Elucidation References
Abstract The evaluation of water treatment systems in terms of presence, fate and removal of organic micropollutants is of paramount importance for the optimal protection of both the environment and human health. In this regard, there are significant gaps in the existing data for compounds present in treated water that remain uncharacterised but are still hazardous from both a toxicological and ecological point of view. This work aims to critically summarise the existing
P. Gago-Ferrero (*) Catalan Institute for Water Research (ICRA), Girona, Spain University of Girona, Girona, Spain e-mail: [email protected] Sara Rodriguez-Mozaz, Paqui Blánquez Cano, and Montserrat Sarrà Adroguer (eds.), Removal and Degradation of Pharmaceutically Active Compounds in Wastewater Treatment, Hdb Env Chem, DOI 10.1007/698_2020_662, © Springer Nature Switzerland AG 2020
P. Gago-Ferrero
information about the application of suspect and non-target screening approaches based on liquid chromatography coupled to high-resolution mass spectrometry (LC-HRMS) to understand the behaviour of polar organic micropollutants and their corresponding transformation products during water treatment processes, focusing particularly on wastewater. Also, it includes a discussion about the novel non-target workflows whose objective is not the further structure elucidation of particular compounds but assessing changes in the molecular elemental compositions of the dissolved organic matter (DOM) during water treatment (without structural characterisation). These strategies can provide additional information and become a common step for a better understanding of treatment performance and transformation product formation. Keywords Anthropogenic, Cheminformatics, Electrokinetic, Hydrophiliclipophilic balance, Spectrometry
1 Introduction Discharges from wastewater treatment plants (WWTPs) are one of the major sources of aquatic pollution. Commonly used WWTPs, primarily operating through biological processes, were developed and designed to protect natural aquatic systems and water resources mainly by removing loads of carbon, nitrogen and phosphorous present in the influent in the mg L1 range. The increased detection of a wide range of emerging, not-regulated anthropogenic organic micropollutants (MPs) in the aquatic environment shows the limitations of conventional WWTPs in removing these compounds. Their continuous introduction into the environment, pseudopersistence and intrinsic ability to interfere with organisms concern the scientific and public communi
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