From waste to wealth: Plant-Derived cellulose nanocrystal hydrogel for anticancer, antibacterial, and anticorrosion studies

The current study explores the development of plant-derived cellulose nanocrystal hydrogel (CNC), focusing on its multifunctional application for anticancer, antimicrobial, and anticorrosion activities. The cellulose nanocrystal hydrogel was synthesized from renewable sources ensuring sustainability which aligned with the mandate of green chemistry. The analytical characterization techniques confirm the structural integrity and functional properties of CNC hydrogel. The in vitro assays demonstrated its efficacy in inhibiting cancer cells (IC50 inhibitory dose 34.714 μg/mL) and antibacterial growth, thus highlighting its dual role in biomedicine. Additionally, the CNC hydrogel significantly acted as a good corrosion inhibitor for Cu facet in chloride system with more cathodic effect. Maximum inhibition efficiency was 80–85 % based on the electrochemical studies at 20 ppm dose. The adsorption and bonding effect of the CNC hydrogel on the Cu surface was explored using detailed computational studies based on Density functional theory (DFT) and molecular dynamics simulation (MD). Computational studies unraveled the inhibition mechanism and the active sites of the CNC hydrogel. The CNC hydrogel exhibited a flat adsorption surface coverage on the Cu facet, which impedes further Cu dissolution processes. This study underscores the versatility of plant-based cellulose nanocrystal hydrogel as multifunctional materials in biomedicine and material science.