Study of the interaction of sorbed silver, gold and copper ions with functional groups on hydrolyzed fibroin using Charmm22 force field calculations

We studied the sorption of silver, gold, and copper ions into powdered hydrolyzed fibroin derived from silk fibroin fibers. Metal ions sorbed into hydrolyzed fibroin have been found to interact with active functional groups over time. It was hypothesized that the silver and gold ions sorbed into hydrolyzed fibroin would form nanoparticles as a result of the reduction reaction, while the copper ions would form a coordination bond. Charmm22 force field calculations were performed on this basis. The IR spectral results obtained by calculations were compared with the IR spectral results obtained in practice, and it was proved that silver and gold nanoparticles were formed and that copper ions formed coordination bonds with fibroin