ArticleJournal of chemical theory and computation2021
A Martini Coarse Grained Model of Citrate-Capped Gold Nanoparticles Interacting with Lipid Bilayers.
Article in Journal of chemical theory and computation, 2021. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
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Who cites it
13 citing papers in PubMed.
- Lipid Composition Determines Hybrid Nanoparticle Selectivity: Beyond Membrane Mimicry in Cancer Targeting.Nano letters · 2026Article
- Trivalent ions kinetic-gating for producing high-concentration and shelf-stable plasmid DNA/PEI particles.Nature communications · 2026Article
- Buffer Valency Engineering Enables High-concentration and Shelf-stable DNA Transfection Particles for Viral Vector Production.Research square · 2025Article
- Investigation of Akt1 behavior on gold surface from molecular dynamics insight.Scientific reports · 2025Article
- Emergence of Polymer-Networked Nanoparticle Structures as Primitive Neuromorphic Computing States.The journal of physical chemistry. A · 2025Article
- Cytochrome c Facilitates Binding between Lipid Bilayers and Citrate-Coated Gold Nanoparticles in Coarse-Grained Simulations.Journal of chemical theory and computation · 2025Article
- Gold Nanoparticle Adsorption and Uptake are Directed by Particle Capping Agent.Small science · 2025Article
- Plant polysaccharide-capped nanoparticles: A sustainable approach to modulate gut microbiota and advance functional food applications.Comprehensive reviews in food science and food safety · 2025Review
- Hybrid lipid-AuNP clusters as highly efficient SERS substrates for biomedical applications.Nature communications · 2024Article
- Assembling Biocompatible Polymers on Gold Nanoparticles: Toward a Rational Design of Particle Shape by Molecular Dynamics.ACS omega · 2022Article
- Membrane Phase Drives the Assembly of Gold Nanoparticles on Biomimetic Lipid Bilayers.The journal of physical chemistry. C, Nanomaterials and interfaces · 2022Article
- Towards design of drugs and delivery systems with the Martini coarse-grained model.QRB discovery · 2022Review
- Interaction of Metallic Nanoparticles With Biomimetic Lipid Liquid Crystalline Cubic Interfaces.Frontiers in bioengineering and biotechnology · 2022Article
Corrections and comments
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Authors and funding
7 authors.
Funding
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Abstract
Citrate capping is one of the most common strategies to achieve the colloidal stability of Au nanoparticles (NPs) with diameters ranging from a few to hundreds of nanometers. Citrate-capped Au nanoparticles (CNPs) represent a step of the synthesis of Au NPs with specific functionalities, as CNPs can be further functionalized via ligand-exchange reactions, leading to the replacement of citrate with other organic ligands. In vitro, CNPs are also used to address the fundamental aspects of NP-membrane interactions, as they can directly interact with cells or model cell membranes. Their affinity for the bilayer is again mediated by the exchange of citrate with lipid molecules. Here, we propose a new computational model of CNPs compatible with the coarse grained Martini force field. The model, which we develop and validate through an extensive comparison with new all-atom molecular dynamics (MD) simulations and UV-vis and Fourier transform infrared spectroscopy data, is aimed at the MD simulation of the interaction between citrate-capped NPs and model phosphatidylcholine lipid membranes. As a test application we show that, during the interaction between a single CNP and a flat planar 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine bilayer, the citrate coating is spontaneously replaced by lipids on the surface of Au NPs, while the NP size and shape determine the final structural configuration of the NP-bilayer complex.
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Registered trials
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