Integrating biological activity into radioisotope vectors: molecular dynamics models of yttrium-doped bioactive glasses
Integrating biological activity into radioisotope vectors: molecular dynamics models of yttrium-doped bioactive glasses
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DOI：
10.1039/c2jm31561k
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发表时间：
2012-01-01
影响因子：
--
通讯作者：
Tilocca, Antonio
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文献类型：
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作者：
Christie, Jamieson K.;Tilocca, Antonio
含钇生物活性玻璃（YBG）具有扩展惰性玻璃载体用于原位放射治疗的功能的潜力，将其与生物降解性和刺激新组织生长的能力相结合。将这些特性与所需的低放射性同位素溶解速率相结合，需要详细了解钇对这些材料结构的影响。一系列的YBG组合物与有利的网络连接的分子动力学模拟，使我们能够提取相关的结构描述符，影响这些眼镜在放射治疗中的性能。我们特别关注的密度和强度的网络的非共价交联建立的Na，Ca和Y阳离子和离子簇的行为，我们表明，它应该是可以采用YBG含有较高量的钇作为放射性同位素载体，由于越来越强的玻璃网络，这将限制整体离子溶解速率，而不抑制玻璃的生物活性。
Yttrium-containing bioactive glasses (YBGs) have the potential to extend the function of inert glass vectors for in situ radiotherapy, integrating it with the biodegradability and the ability to stimulate growth of new tissues. Combining these properties with the required low radioisotope dissolution rates requires a detailed understanding of the effect of yttrium on the structure of these materials. Molecular dynamics simulations of a range of YBG compositions with favourable network connectivity allowed us to extract relevant structural descriptors which affect the performances of these glasses in radiotherapy. We focus in particular on the density and strength of the network of non-covalent crosslinks built by Na, Ca and Y cations and on the ion clustering behaviour; we show that it should be possible to employ YBGs containing higher amounts of yttrium as radioisotope vectors, due to the increasingly stronger glass network which will limit the overall ion dissolution rates, without inhibiting the glass bioactivity.