Abstract

The acute toxicity of silver nanoparticles (AgNPs) in Artemia salina is primarily attributed to the interaction between silver ions (Ag+) and chitin, which constitutes the main structural component of the organism's cuticle. To investigate this interaction and gain a deeper understanding of its nature, geometric optimization calculations and symmetry-adapted perturbation theory (SAPT0) analysis were performed. These calculations aimed to determine the most favorable conformation based on the binding energies of silver ions with chitin and to elucidate the underlying mechanisms of their interaction. The results indicate an ionic effect dependent on the ion state, with simulations revealing that Ag3+ ions have the potential to cause significant deformation of the chitin structure. Furthermore, this study evaluated the behavior of AgNPs using nauplii of A. salina instar I, assessing both mortality rates and cell damage. Toxicity of AgNPs was observed in A. salina at concentrations of 50 and 100 ppm within a timeframe of 24–48 h. The toxicity of AgNPs can be attributed to their interaction with the cuticle and subsequent modification of the chitin structure through the binding of ionic silver. Light microscopy (LM) analysis confirmed the presence of AgNPs in the cuticle, while confocal laser scanning microscopy (CLSM) revealed cellular damage. In addition, this research offers new perspectives on the toxicity mechanism of AgNPs by introducing a novel model that explores the interaction of silver ions with the cuticle of A. salina. These insights are derived from a combination of atomistic models and ecotoxicology assays.

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