ArticleRSC advances2025
Effects of doping and functionalization on black phosphorus nanosheets for enhanced quercetin delivery.
Article in RSC advances, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
Various nanoparticle-based drug delivery platforms have been developed to address the challenges of rapid degradation and immune clearance in cancer treatment while improving tumor-targeting efficiency. Among these, black phosphorus (BPH) has emerged as a promising multifunctional nanodrug platform. This study investigates the behavior of black phosphorus nanosheets doped with nickel, copper, and zinc atoms in the delivery of quercetin through molecular dynamics simulations. Moreover, the combined effects of doping and functionalization on drug adsorption and delivery processes were examined. The results suggested that the tendency for drug adsorption on the nanosheet surface primarily arises from π-π interactions. On the other hand, functionalization of the doped nanosheets significantly improves the adsorption of quercetin molecules. Specifically, we found that the average adsorption energy for pristine black phosphorus nanosheets is -203 kJ mol
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