Ultra-fast detoxification pathways of anti-cancer drug (Gefitinib) via high-entropy engineering driving catalysis

Gefitinib (GEF), a commonly detected anticancer drug in medical wastewater, also serves as a persistent organic pollutant in aquatic ecosystems. The complex chemical structure of GEF renders it resistant to microbial and enzymatic degradation. A high-entropy oxide catalyst (FeCoNiMnCu)Ox/13X (FCNMC/13X) was synthesized to generate reactive oxygen species (ROS) for GEF degradation. At 120 °C, FCNMC/13X achieved a 99.48 % GEF degradation rate within 120 s. At ambient temperature (35 °C), it reached 94 % degradation within 30 min. The catalytic degradation activity is primarily driven by ROS, with ·OH as the dominant species. The degradation pathway of GEF and the biotoxicity of its intermediate products were proposed. Finally, density functional theory (DFT) calculations revealed the presence of free electrons in the high-entropy catalyst, demonstrating exceptional electron transfer properties that enhance adsorption and dissociation on the catalyst surface. The catalyst exhibits high efficiency in environmental remediation at elevated temperatures and effective drug detoxification at ambient temperature, underscoring its broad applicability in both environmental and biomedical applications.