Molecular Dynamics Simulations of pH-Dependent Ciprofloxacin Adsorption to Na-montmorillonite

Key Points

• This research aims to understand how pH affects the adsorption of ciprofloxacin to Na-montmorillonite, a type of clay.
• Utilized molecular dynamics simulations to model adsorption processes
• Varied pH levels to assess their impact on ciprofloxacin interactions
• Analyzed adsorption efficacy using computational models
• Demonstrated significant pH dependence in ciprofloxacin adsorption
• Found optimal pH range for maximum adsorption efficiency
• Highlighted potential environmental risks tied to antibiotic persistence in soils