Computer-Aided Elucidation of Acetamiprid Adsorption by a Sodium-Alginate/Saccharomyces cerevisiae Composite Adsorbent and Its Protective Effects on Bumblebees

Neonicotinoid insecticides such as acetamiprid pose persistent risks to pollinators, motivating deployable exposure-mitigation strategies. Here we study a sodium-alginate/Saccharomyces cerevisiae composite adsorbent designed to sequester acetamiprid and reduce internal exposure in bumblebees. We integrate in vitro adsorption assays, in vivo feeding experiments, and computer-aided analyses spanning Python-based preprocessing and statistics, molecular docking, and molecular dynamics simulation. In vitro HPLC quantification at a nominal 10 ppm acetamiprid level showed that the composite produced the largest concentration decrease over 4 h, achieving 4.75% removal, whereas single-component materials remained near the blank control. In vivo, the composite improved 7-day survival under acetamiprid stress at both 10 ppm (93.2% vs. 81.7%) and 50 ppm (56.7% vs. 37.5%) relative to pesticide-only groups, and reduced intestinal pesticide residues with a ∼69.6% lower mean HPLC peak area. Behavioral tracking further indicated partial restoration of social-contact frequency compared with pesticide exposure alone. Collectively, these results support composite adsorption as a practical exposure-mitigation approach and provide a reusable computer-aided template linking adsorption performance, phenotyping, and mechanistic modeling for pollinator protection.