The Open UniversitySkip to content

Modeling of nanoparticle coatings for medical applications

Haume, Kaspar; Mason, Nigel J. and Solov’yov, Andrey V. (2016). Modeling of nanoparticle coatings for medical applications. The European Physical Journal D, 70(9) p. 181.

Full text available as:
PDF (Version of Record) - Requires a PDF viewer such as GSview, Xpdf or Adobe Acrobat Reader
Download (602kB) | Preview
DOI (Digital Object Identifier) Link:
Google Scholar: Look up in Google Scholar


Abstract Gold nanoparticles (AuNPs) have been shown to possess properties beneficial for the treatment of cancerous tumors by acting as radiosensitizers for both photon and ion radiation. Blood circulation time is usually increased by coating the AuNPs with poly(ethylene glycol) (PEG) ligands. The effectiveness of the PEG coating, however, depends on both the ligand surface density and length of the PEG molecules, making it important to understand the structure of the coating. In this paper the thickness, ligand surface density, and density of the PEG coating is studied with classical molecular dynamics using the software package MBN Explorer. AuNPs consisting of 135 atoms (approximately 1.4 nm diameter) in a water medium have been studied with the number of PEG ligands varying between 32 and 60. We find that the thickness of the coating is only weakly dependent on the surface ligand density and that the degree of water penetration is increased when there is a smaller number of attached ligands.

Item Type: Journal Item
Copyright Holders: 2016 The Author(s)
ISSN: 1434-6079
Project Funding Details:
Funded Project NameProject IDFunding Body
PEOPLE-2013-ITN-ARGENT608163European Union Seventh Framework Programme
Keywords: Regular Article
Academic Unit/School: Faculty of Science, Technology, Engineering and Mathematics (STEM) > Physical Sciences
Faculty of Science, Technology, Engineering and Mathematics (STEM)
Item ID: 52030
SWORD Depositor: Jisc Publications-Router
Depositing User: Jisc Publications-Router
Date Deposited: 08 Mar 2018 09:46
Last Modified: 01 May 2019 19:21
Share this page:


Altmetrics from Altmetric

Citations from Dimensions

Download history for this item

These details should be considered as only a guide to the number of downloads performed manually. Algorithmic methods have been applied in an attempt to remove automated downloads from the displayed statistics but no guarantee can be made as to the accuracy of the figures.

Actions (login may be required)

Policies | Disclaimer

© The Open University   contact the OU