Unveiling POM–peptide complexes: molecular insights into metal oxide nanoparticle–protein interactions

Abstract

Mineral nanoparticles (NPs) play a crucial role in biological systems, exhibiting enzyme-like “nanozyme” activity in protein oxidation and hydrolysis. To study NP interactions at the molecular level, we characterized complexes of peptides with poly-oxo-metalate (POM) species, the smallest known NPs. Our findings highlight the importance of factors such as metal–oxygen bond polarity, peptide hydrophilicity, medium conditions, and structure-directing amino acids. Using single-crystal models and 2D NMR, we also explored interactions between larger NPs as nanozymes and proteins relevant for specific oxidation of amino acids and proteins.