Work

The Core Matters: Aggregation of Neutral Ligand-Coated Nanoparticles in Membranes

Year: 2026

Type: article

Abstract: The aggregation of gold nanoparticles (AuNPs) influences their optical properties, including localized surface plasmon resonance, through plasmonic coupling between adjacent particles. For hydrophobic AuNPs embedded in lipid membranes, however, the mechanisms governing aggregation remain poorly understood. Although coarse-grained molecular dynamics simulations are well suited to study these processes, commonly used ligand-nanoparticle (NP) models neglect explicit core interactions. Here, we test whether core properties regulate NP aggregation by simulating multiple Martini NP models in a membrane environment. In contrast to the assumption that surface ligands effectively shield the core, we find that interactions with the environment remain sensitive to core parameters even at maximum ligand coverage. Furthermore, core-solvent interactions are consistent with a mechanism that directly drives nanoparticle aggregation. These results suggest that core interactions can contribute to the aggregation of functionalized nanoparticles.

Source: The Journal of Physical Chemistry B

DOI: 10.1021/acs.jpcb.6c03349

Authors: Jahmal J. Ennis, Julianne C. Griepenburg, Grace Brannigan

Institution: Rutgers, The State University of New Jersey

Language: English

Topic: Gold and Silver Nanoparticles Synthesis and Applications

Subfield: Electronic, Optical and Magnetic Materials

Field: Materials Science

Domain: Physical Sciences

Open Access status: hybrid

Funder: National Science Foundation