ArticleNanoscale2025
Influence of branched ligand architectures on nanoparticle interactions with lipid bilayers.
Article in Nanoscale, 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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2 authors.
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Abstract
Gold nanoparticles functionalized with organic cationic ligands have shown promise as biomedical agents, but their interactions with cellular membranes are not yet well-understood and design rules for ligands that promote desired cellular interactions are lacking. Past experimental studies have demonstrated that ligand lipophilicity, quantified by the ligand end group partition coefficient, can be used as a descriptor for predicting nano-bio interactions, but such a descriptor is incapable accounting for ligand architecture, such as chain branching. To probe the effects of ligand end group architecture on ligand-lipid interactions, we perform molecular dynamics simulations to investigate how ligand alkyl chain branching modulates the thermodynamics and mechanisms of nanoparticle adsorption to lipid membranes. We designed four pairs of 2 nm diameter gold nanoparticles where each pair had ligand end groups with similar lipophilicity but varying alkyl chain architecture (
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