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Structures and properties of phosphate-based bioactive glasses from computer simulation: a review

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journal contribution
posted on 2017-06-28, 09:00 authored by Jamieson ChristieJamieson Christie, Richard I. Ainsworth, Sergio E. Ruiz Hernandez, Nora H. de Leeuw
Phosphate-based bioactive glasses (PBGs) dissolve harmlessly in the body with a dissolution rate which depends sensitively on composition. This makes them proposed vectors for e.g. drug delivery, or other applications where an active component needs to be delivered at a therapeutically appropriate rate. Molecular dynamics (MD) simulations provide atomic-level structural information about PBG compositions. We review recent work to show that MD is an excellent tool to unravel the connections between the PBG glass composition, its atomic structure, and its dissolution rate, which can help to optimise PBGs for specific medical applications.

History

School

  • Aeronautical, Automotive, Chemical and Materials Engineering

Department

  • Materials

Published in

Journal of Materials Chemistry B

Citation

CHRISTIE, J.K. ... et al, 2017. Structures and properties of phosphate-based bioactive glasses from computer simulation: a review. Journal of Materials Chemistry B, 5(27), pp.5297-5306.

Publisher

© Royal Society of Chemistry

Version

  • AM (Accepted Manuscript)

Publisher statement

This work is made available according to the conditions of the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0) licence. Full details of this licence are available at: https://creativecommons.org/licenses/by-nc-nd/4.0/

Acceptance date

2017-06-15

Publication date

2017

Notes

This paper was accepted for publication in the journal Journal of Materials Chemistry B and the definitive published version is available at http://dx.doi.org/10.1039/C7TB01236E

ISSN

2050-7518

Language

  • en

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