It is fundamental to investigate the biodegradability of chemicals and their potential (eco)toxicological effects under near-environmental conditions in order to identify and thereby avoid potential risks to humans, animals and the environment in the event of their release. Established as a policy object at the European level, the risks, which are posed by anthropogenic pollution, ideally need to be reduced to a minimum, if not eliminated completely, in the near future. To achieve this goal, an assessment of chemicals, based on international consensus, is required, which builds on the results of standardized experiments and is constantly supplemented by computer-based approaches. Establishing structure-property relationships is one way to immediately classify organic trace substances as ‘degradable’, or ‘potentially persistent’, as well as as hormonally ‘active’ or ‘inactive’. The extent to which these relationships are applicable to the substance group of benzophenone-type UV filters was investigated in this work. Some derivatives, which only differ in the type and position of their substituents on the aromatic rings, are suspected of acting as endocrine disruptors. Despite the high probability of them being released into the environment, and the toxicologically relevant properties, there are no mechanistic degradation studies so far that take enough derivatives into consideration to discuss the substitution pattern as a possible influential factor. To close the identified gaps, experiments on primary as well as ultimate degradation were carried out with up to ten different benzophenones, changing various parameters and adapting the experimental setup. Studies on the complete mineralizability, compliant with the standardized OECD Guideline No. 301F, showed that the respective substitution pattern is a decisive factor, while the mere presence of certain functional groups plays a minor role. To yield additional information on the time-dependent formation of primary degradation products, an LC-MS/MS method was ...
Structure-property Relationships of Benzophenone-type UV Filters
2023-03-13
Theses
Electronic Resource
English
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