Volume 136, 2007
From the journal:

Faraday Discussions

The formation of nanoscale structures in soluble phosphosilicate glasses for biomedical applications: MD simulations†

Antonio Tilocca,*a   Alastair N. Cormackb  and  Nora H. de Leeuwa  

* Corresponding authors

a Department of Chemistry, University College London, London, UK

b New York State College of Ceramics, Alfred University, Alfred NY, USA

Abstract

The occurrence of chain-like fragments and rings in phosphosilicate glasses of known bioactivity was examined using classical molecular dynamics simulations, in order to reveal the possible effect of such nanostructures on the bioactive behaviour. Highly bioactive compositions display a large fraction of non-crosslinked, nonlinear chains of tetrahedra, which are not present in bio-inactive compositions. The low(er) energetic cost associated with the direct release of these silicate fragments into solution can assist the fast partial dissolution observed for bioactive glass compositions. Loss of bioactivity when the silicate content increases is accompanied by the transformation of these chains into small closed rings (3- to 8-membered), which appear to protect the silicate network from fast dissolution.

About
Cited by
Related
Download options Please wait...

Article information

DOI
https://doi.org/10.1039/B617540F
Article type
Paper
Submitted
05 Dec 2006
Accepted
24 Jan 2007
First published
10 Apr 2007

Faraday Discuss., 2007,136, 45-55

Permissions

Request permissions

The formation of nanoscale structures in soluble phosphosilicate glasses for biomedical applications: MD simulations

A. Tilocca, A. N. Cormack and N. H. de Leeuw, Faraday Discuss., 2007, 136, 45 DOI: 10.1039/B617540F

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements