2026-04-17T03:00:18Zhttps://recercat.cat/oai/request

oai:recercat.cat:10256/268472025-05-31T03:28:11Zcom_2072_452955com_2072_2054col_2072_453077

00925njm 22002777a 4500 dc Lunde Hermansson, Anna author Gustavsson, Mikael B. author Hassellöv, Ida-Maja author Svedberg, Patrik author García-Gómez, Elisa author Gros Calvo, Meritxell author Petrović, Mira author Ytreberg, Erik author 2025-02-01 Marine organisms are constantly exposed to complex chemical mixtures from natural and anthropogenic sources. One source that has raised concerns is the discharge water from ships equipped with exhaust gas cleaning systems, commonly known as scrubbers. During operation, ships with scrubbers discharge large volumes of scrubber water, known to adversely affect marine organisms, into the environment. Scrubber water is highly acidic and contains a complex mixture of contaminants, including metals and polycyclic aromatic hydrocarbons (PAHs), at high concentrations. To assess the effect from these mixtures, critical values for individual mixture components can be determined from ecotoxicological studies and then compared to measured exposure concentrations. However, for several substances identified in scrubber water, for instance many alkylated PAHs, ecotoxicological studies are unavailable, preventing the determination of critical values. In this study, Quantitative Structure-Activity Relationship (QSAR) models have been used to amend and complement experimental data to estimate the mixture toxicity of scrubber water. Our results show that the combined predicted ecotoxicological response of an amended list of 50 substances measured in scrubber water from the substance groups metals (n = 10), PAHs (n = 16) and their alkylated derivatives (n = 24), still underestimates the response observed in whole effluent toxicity tests. This suggests that there are additional substances and/or synergistic effects in the scrubber water mixtures that contribute to the overall toxicity. Thus, to accurately describe the toxicity of scrubber water, measurements and toxicity assessments must extend far beyond the usual suspects of 16 PAHs and a limited selection of metals. Here, QSAR models and advanced chemical screening-based methods are valuable tools for identifying substances of concern This work was funded by the European Union’s Horizon 2020 research and innovation programme Evaluation, control and Mitigation of the EnviRonmental impacts of shippinG Emissions (EMERGE) [grant agreement No 874990]. This work reflects only the authors' view and CINEA is not responsible for any use that may be made of the information it contains. This work was also supported by the FRAM Centre for Future Chemical Risk Assessment and Management at the University of Gothenburg http://hdl.handle.net/10256/26847 Hidrocarburs aromàtics policíclics Polycyclic aromatic hydrocarbons Vaixells -- Aspectes ambientals Ships -- Environmental aspects Mar -- Contaminació Marine pollution Mar -- Contaminació per hidrocarburs Oil pollution of the sea Applying quantitative structure-activity relationship (QSAR) models to extend the mixture toxicity prediction of scrubber water