Nanoenabled Phytochemical Mining: Gold Nanoparticle‐Mediated Recovery of Low‐Polar Secondary Metabolites From Plant Extract

The sustainable separation of complex natural products remains a key challenge at the interface of nanomaterials and biotechnology. Despite their remarkable bioactivity, low‐polarity secondary metabolites are notoriously difficult to recover using conventional extraction methods. Here, we report a nanoadsorption strategy using green‐synthesized, surface‐purified gold nanoparticles (Au NPs) as tunable adsorbents for the selective enrichment of metabolites from extracts of Hypericum perforatum . Systematic optimization of solvent composition, incubation time, and NP dosage enabled parameter driven selectivity, with phloroglucinols and xanthones showing the highest enrichment, while biflavonoids and naphthodianthrones showed selective retention under optimized conditions. Kinetic modeling confirmed a pseudo‐second‐order mechanism dominated by π – π stacking, hydrogen bonding, hydrophobic, and charge transfer interactions. Structural features such as prenylation, hydroxylation, and molecular planarity were identified as key determinants of adsorption. This work positions Au NP‐based nanoadsorption as a scalable, material‐driven, and sustainable platform for the isolation of natural products and provides a rational framework for the development of nanoparticle–metabolite interfaces for bioactive compound discovery and environmentally friendly separations with potential applications in nutraceuticals, pharmaceuticals, and analytical chemistry.