Self‐Assembly‐Driven Esterase Mimetic Behavior of a Naphthalenediimide Amphiphile in Aqueous Media

Abstract In nature, enzymes efficiently catalyze various biochemical reactions with remarkable efficiency in water, where self‐assembly plays a crucial role in functional organization. Mimicking natural enzymes, artificial catalytic systems have been developed, though the majority of them operate in nonaqueous media. In this work, we report the spontaneous self‐assembly of an imidazole‐functionalized naphthalenediimide (NDI)‐based non‐ionic amphiphile in water by using noncovalent interactions. The resulting supramolecular structure displays layered morphology, providing hydrophobic pockets and an ordered arrangement of the catalytic residues. This demonstrates efficient catalytic hydrolysis for a series of nitrophenyl esters and aspirin in aqueous buffer solution, underscoring esterase‑mimetic activity and its environmental remediation potential. This work highlights the potential of self‐assembled amphiphilic systems as effective enzyme mimics.