Comet-like Co-MOF with TiO2 nanoparticles decorated used to efficiently activate peroxymonosulfate for larotrectinib degradation through radical and non-radical pathways

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Removal of emerging contaminants has drawn great concern due to their potential high risk to eco-environment system and human health. In this study, an emerging and broad-spectrum anticancer pharmaceutical, larotrectinib (LOXO), was focused on to achieve its degradation in water. A heterogenous peroxymonosulfate (PMS) activation system was constructed by using a comet-like Co-based metal–organic framework (Co-MOF) with TiO2 nanoparticles decorated. The optimized material (TiO2/Co-MOF1) showed high PMS activation efficiency, and thus 90.1 % of LOXO could be quickly degraded within 10 min. Scavenger quenching tests and electron paramagnetic resonance (EPR) analysis indicated that both radicals (OH and SO4-) and non-radical species (1O2) contributed to LOXO degradation. The two main components of Co-MOF and TiO2 nanoparticles in the composite showed a synergetic effect on PMS activation: Co-MOF offered coordination cobalt for PMS activation, while TiO2 provided abundant –OH groups for interface complexation to promote the electron transfer. In addition, 1O2 originates from directional conversion of O2– after PMS activation at the material’s surface. Moreover, density functional theory (DFT) calculation suggests that the atoms in LOXO with high Fukui index (f-) representing electrophilic attack are the reactive sites. Toxicity analysis based on quantitative structure–activity relationship (QSAR) verifies the reduced toxicity of degraded intermediates/products. This work proposed an available technology to efficiently activate PMS for anticancer drugs degradation through both radical and non-radical pathways in wastewater.