Introduction: Since aflatoxin can lead to cirrhosis, hepatitis, and liver cancer, its removal from and adsorption in the foodstuff is very important. The aim of this study was to design and synthesize nanocellulose improved by vitamin A and to evaluate its capability for aflatoxin adsorption.Methods: First, nanocellulose was synthesized by acid hydrolysis and was improved by vitamin A through cross-linker. Then, to study the structure and to confirm improvement, scanning electron microscopy and furrier transform infra-red spectroscopy were used respectively. In the next step, the quantity of aflatoxin adsorption was evaluated at different temperatures, times, pHs, and concentrations. Also, to study the molecular aspect of aflatoxin adsorption, the molecular simulation software was used.Results: The characterization results showed that improved nanocellulose was nanowire with the height of 100 and weight of 5 nm, and the improvement was confirmed by spectroscopy. This study demonstrated that increase in temperature and time leads to increase in adsorption, however, increase of pH leads to the decrease of adsorption. Computer simulation showed aflatoxin and improved nanocellulose adsorption and stabilization after 1 ns.Conclusions: This research revealed that aflatoxin can be adsorbed by nanocellulose improved by vitamin A. The adsorption proved to be temperatures, times, pH, and concentration dependent.