AOP-Based Transformation of Abacavir in Different Environments: Evolution Profile of Descyclopropyl-Abacavir and In Silico Toxicity Assessment of the Main Transformation Products

Abstract

This study explores the photocatalytic transformation of the antiviral drug abacavir employing different advanced oxidation processes (AOPs) such as UV/TiO2, UV/MOF/H2O2, UV/MOF/S2O82−, UV/Fe2+/H2O2, and UV/Fe2+/S2O82−. All processes appear to be effective in eliminating abacavir within a few minutes, while the evolution profile of the basic transformation product, descyclopropyl-abacavir (TP-247) was also monitored. Moreover, the implementation of the most efficient technologies towards the removal of abacavir in different matrices such as wastewater effluent and leachate was also assessed, revealing that the organic matter present or the inorganic constituents can retard the whole process. Four major transformation products were detected, and their time-evolution profiles were recorded in all studied matrices, revealing that different transformation pathways dominate in each matrix. Finally, the prediction of the toxicity of the major TPs employing ECOSAR software was conducted and showed that only hydroxylation can play a detoxification role in the treated solution.

Keywords

• abacavir
• antiviral drug
• AOPs
• transformation products
• ECOSAR
• evolution profiles