Unveiling pathways of oxytetracycline degradation induced by cold atmospheric plasma

Antibiotic pollution has received increasing global and scientific attention in recent years due to its serious impact on ecosystems human health. As a new advanced oxidation method, Cold Atmospheric Plasmas (CAPs) have been successfully applied degrade oxytetracycline (OTC) with large removal rate, high energy efficiency, environment-friendly requirements; however, the reaction pathways are still unclear. In this study, reactive Molecular Dynamics (MD) simulation is performed investigate mechanisms of OTC degradation induced by Reactive Oxygen Species (ROS) CAPs. The simulations showed breaking chemical bonds upon ROS, such as C–C, C–N, C–O. particular, important functional groups, including acylamino at C2 site, dimethylamine C4 tertiary alcohol C12a observed, destruction these key structures indicates reducing antibacterial ability. final products revealed computational data agree well experimental measurements. dose effects also examined adjusting numbers ROS box. This study can further enhance understanding CAP according MD results, unveiling degradation.