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Updated: Aug 19, 2025

Using Polystyrene-block-polyacrylic acid-coated Metal Nanoparticles as Monomers for Their Homo- and Co-polymerization

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Assembling Biocompatible Polymers on Gold Nanoparticles: Toward a Rational Design of Particle Shape by Molecular

Roberta Cappabianca¹, Paolo De Angelis¹, Annalisa Cardellini¹

¹Department of Energy "Galileo Ferraris", Politecnico di Torino, Corso Duca Degli Abruzzi 24, 10129Torino, Italy.

|November 28, 2022

Summary

This study explores how poly(lactic-co-glycolic acid) (PLGA) coats gold nanoparticles (AuNPs). Computational models reveal that nanoparticle shape influences PLGA adsorption, guiding better drug delivery system design.

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Area of Science:

Nanotechnology
Materials Science
Computational Chemistry

Background:

Gold nanoparticles (AuNPs) are vital in biomedical applications but suffer from rapid clearance.
Poly(lactic-co-glycolic acid) (PLGA) encapsulation improves AuNP stability and lifetime in vivo.
Optimizing PLGA coating requires understanding its adsorption behavior on AuNP surfaces.

Purpose of the Study:

To investigate the adsorption mechanisms of PLGA oligomers on gold crystalline nanoparticles (AuNPs).
To rationalize the PLGA coating process for efficient AuNP design.
To explore the influence of nanoparticle shape on PLGA adsorption.

Main Methods:

Atomistic simulations combined with unsupervised machine learning to model PLGA clusterization.
Tuning oligomer concentration in aqueous solutions to observe temporal evolution.
Surface coverage analysis and free energy landscape calculations to determine adsorption anisotropy.

Main Results:

PLGA clusterization dynamics were observed by varying oligomer concentration.
Adsorption of PLGA onto AuNPs was found to be anisotropic.
Nanoparticle shape and topology were shown to influence and privilege specific adsorption sites, like Au {1 1 1} planes.

Conclusions:

Computational modeling provides insights into PLGA adsorption on AuNPs.
Nanoparticle geometry is a key factor in controlling PLGA coating.
This study offers a platform for designing improved coated nanoparticles for biomedical applications.