Dioxins and furans (PCDD/Fs) in the electro-oxidation of drugs used in the COVID-19 pandemicexperimental and theoretical analysis

Abstract

The current situation of water resources, within the framework of the global pandemic COVID-19, centers the starting point of this doctoral thesis. The treatments applied in the fight against the SARS-CoV-2 virus, have led to intensive consumption of the drugs dexamethasone (DEX), amoxicillin (AMX), paracetamol (PAR) and sertraline (STR), which finally end in the aquatic medium as part of the group of emerging contaminants (ECs). In this context, advanced oxidation processes (AOPs) are an attractive option for their removal, standing out electrochemical oxidation (EOX) because its high effectiveness. Nevertheless, previous studies have demonstrated that under the application of some AOPs, it may be possible that intermediate and derivative compounds can be generated, possibly more toxic than the initial ones, like polychlorinated dibenzo-p-dioxin and furans (PCDD/Fs). To corroborate this hypothesis, this doctoral thesis has assessed, in an experimental and theoretical way (computational chemistry) the formation of PCDD/Fs and the final toxicity of the samples, after applying EOX to matrices containing the COVID-19 drugs, dexamethasone (DEX), amoxicillin (AMX), paracetamol (PAR) and sertraline (STR).