New insights into the molecular interactions of neonicotinoid pesticides to extracellular polymeric substances: Spectroscopy analysis, molecular docking, and DFT simulations

Key Points

• The aim is to explore the molecular interactions between neonicotinoid pesticides and microbial extracellular polymeric substances.
• Conducted spectroscopy analysis to identify complex interactions.
• Utilized molecular docking to predict binding affinities.
• Employed DFT simulations for detailed molecular insights.
• Neonicotinoids form stable complexes with extracellular polymeric substances.
• Complexes may impact environmental dynamics and microbial activity.