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Hazard screening of photo-transformation products from pharmaceuticals: Application to selective β1-blockers atenolol and metoprolol

The identification of toxic components in cocktail mixtures of pollutants, their metabolites and transformation products (TPs) generated from environmental and treatment processes remains an arduous task. This study expanded in this area by applying a combination of chemical analytics, a battery of...

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Bibliographic Details
Published in:The Science of the total environment 2017-02, Vol.579, p.1769-1780
Main Authors: Toolaram, Anju Priya, Menz, Jakob, Rastogi, Tushar, Leder, Christoph, Kümmerer, Klaus, Schneider, Mandy
Format: Article
Language:English
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Summary:The identification of toxic components in cocktail mixtures of pollutants, their metabolites and transformation products (TPs) generated from environmental and treatment processes remains an arduous task. This study expanded in this area by applying a combination of chemical analytics, a battery of in vitro bioassays and an in silico “testing battery” to UV photolysis mixtures of active pharmaceutical ingredients. The objectives were to understand the toxic nature of the mixtures and to prioritize photo-TPs for risk analysis. The selective β1-blockers Atenolol (ATL) and Metoprolol (MTL) that are ubiquitous in the aquatic environment were used as an example. The photolysis mixtures were cytotoxic to Vibrio fischeri and mammalian cells but not mutagenic in the Ames test or genotoxic in the in vitro micronucleus and umu tests. Potentially hazardous TPs were proposed by relating the observed effects to the kinetics of TP occurrence and applying in silico toxicity predictions for individual photo-TPs. This model study was done to identify principal mechanisms rather than accurately simulating environmental transformation processes. Several photo-TPs were proposed to present a greater hazard than the selected β-blockers and therefore fate and toxicity assessments may be required to determine their environmental relevance. [Display omitted] •Photolysis led to incomplete mineralization of parent compounds•Bioassays, chemical analytics together with in-silico methods identified hazards•Photolysis mixtures were more toxic than the β-blockers.•QSAR analysis of transformation products identified diverse mechanisms of toxicity•Several photo-TPs predicted to present greater hazards than parent compound
ISSN:0048-9697
1879-1026
DOI:10.1016/j.scitotenv.2016.10.242