In this work, the facile preparation of coffee residue (CR)-derived multifunctional cellulose nanocrystals (CNCs) via hydrothermal technique has been successfully attempted. The morphological structure, functionality, crystalline pattern, surface chemistry, elemental content and surface charge were evaluated. The adsorptive property was assessed using both anionic and cationic aqueous pollutants, chlorpyrifos and methylene blue (MB), and simulated by the non-linear isotherm models and kinetic equations. Its unique antibacterial and antifungal functions were tested against both gram-negative/positive bacterial and fungal species. The particle length and diameter, aspect ratio, crystallinity index, sulfate group content and zeta potential of this newly prepared rod-shaped CNCs were identified to be 432.39 nm, 23.57 nm, 18.34, 75.0 %, 0.21 mmol/g and −32.7 mV, respectively. CR-CNCs recorded an outstanding adsorptive feature for both MB and chlorpyrifos, with the monolayer adsorption capacities of 403.02 mg/g and 159.75 mg/g, respectively. The adsorptive uptakes could be effectively preserved via solvent regeneration technique, even after 5 adsorption-desorption runs. Excellent inhibition efficiencies against both gram-negative/gram-positive bacteria, and fungal species have been detected, with the growth-inhibition zones ranging from 10.9 to 26.7 mm. The novel protective roles of the newly prepared CR-CNCs against both biological and water contaminants have been well-elucidated.
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