Sulfite-Synergized Vuv Photolytic Decomposition of Metformin: A Combined Experimental and Theoretical Study

Abstract

Metformin (MET), widely used in the treatment of type П diabetes, may pose a threat to environmental security when extensively used and improperly disposed of. This study aimed to provide a comprehensive and deeper understanding of MET decomposition under UV185 (vacuum ultraviolet, VUV) photolytic treatment in the presence of sulfite (SO32−). A noticeable MET decomposition efficiency of 98.3% was observed at pH 9, accompanied by a fast pseudo-first-order rate constant of 0.0338 min−1 in the VUV/SO32− treatment system. Radical scavenging experiments and electron paramagnetic resonance analysis confirmed that MET decomposition was primarily initiated by the attack of hydrated electron (eaq-) generated from SO32− under VUV irradiation. Time-of-flight mass spectrometry results, supported by density functional theory and wave function analysis, indicated four parallel pathways for the reductive decomposition of MET in the VUV/SO32− treatment system. Demethylation and scission of C-N bonds within the guanidine moiety were identified as the primary mechanisms underlying MET decomposition in this system. A substantial reduction in MET biotoxicity was observed following treatment using the VUV/SO32− reduction system. The effects of treatment parameters and common water matrix components were meticulously investigated.

Keywords: Metformin, VUV/SO32-, hydrated electron, DFT, toxicity