Aluminosilicate glasses as yttrium vectors for in situ radiotherapy: Understanding composition-durability effects through molecular dynamics simulations

Chemistry of Materials

Volumn 22, Issue 12, 2010, Pages 3725-3734

  Christie, Jamieson K ^a   Tilocca, Antonio ^a  

^a UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

[AL-O-AL]; ALUMINOSILICATE GLASS; ALUMINUM ATOMS; ALUMINUM IONS; ATOMIC ENVIRONMENT; ATOMIC SPECIES; ATOMISTIC LEVELS; CLASSICAL MOLECULAR DYNAMICS; COMBINED EFFECT; COORDINATION NUMBER; GLASS COMPOSITIONS; GLASS DURABILITY; GLASS NETWORK; IN-SITU; MODIFIER IONS; MOLECULAR DYNAMICS SIMULATIONS; NETWORK CONNECTIVITY; PHYSIOLOGICAL MEDIUM; SELF-AGGREGATES;

ALUMINOSILICATES; ALUMINUM; ATOMS; BIOACTIVE GLASS; DURABILITY; MOLECULAR DYNAMICS; RADIOTHERAPY; YTTRIUM;

YTTRIUM ALLOYS;

EID: 77953639939     PISSN: 08974756     EISSN: 15205002     Source Type: Journal    
DOI: 10.1021/cm100847p     Document Type: Article

References (49)

1. Jander, P.; Brocklesby, W. S. IEEE J. Quantum Electron. 2004, 40, 509
2. Marchi, J.; Morais, D. S.; Schneider, J.; Bressiani, J. C.; Bressiani, A. H. A. J. Non-Cryst. Solids 2005, 351, 863-868
3. Chen, S.-D.; Hsueh, J.-F.; Tsai, S.-C.; Lin, W.-Y.; Cheng, K.-Y.; Wang, S.-J. Nucl. Med. Commun. 2001, 22, 121-125
4. Erbe, E. M.; Day, D. E. J. Biomed. Mater. Res. 1993, 27, 1301-1308
5. Tilocca, A.; Cormack, A. N.; de Leeuw, N. H. Chem. Mater. 2007, 19, 95-103
6. Frenkel, D.; Smit, B. Understanding Molecular Simulations: From Algorithms to Applications, 2 nd ed.; Academic Press: New York, 1996.
7. Car, R.; Parrinello, M. Phys. Rev. Lett. 1985, 55, 2471-2474
8. Ispas, S.; Benoit, M.; Jund, P.; Jullien, R. Phys. Rev. B 2001, 64, 214206
9. Donadio, D.; Bernasconi, M.; Tassone, F. Phys. Rev. B 2004, 70, 214205
10. Massobrio, C.; Celino, M.; Pasquarello, A. Phys. Rev. B 2004, 70, 174202
11. Tilocca, A.; de Leeuw, N. H. J. Phys. Chem. B 2006, 110, 25810
12. Tilocca, A. Phys. Rev. B 2007, 76, 224202
13. Tilocca, A.; Cormack, A. N. J. Phys. Chem. B 2007, 111, 14256
14. Tilocca, A.; Cormack, A. N. J. Phys. Chem. C 2008, 112, 11936
15. Du, J. J. Am. Ceram. Soc. 2009, 92, 87-95
16. Pozdnyakova, I.; Sadiki, N.; Hennet, L.; Cristiglio, V.; Bytchkov, A.; Cuello, G. J.; Coutures, J. P.; Price, D. L. J. Non-Cryst. Solids 2008, 354, 2038-2044
17. Florian, P.; Sadiki, N.; Massiot, D.; Coutures, J. P. J. Phys. Chem. B 2007, 111, 9747-9757
18. Schaller, T.; Stebbins, J. F. J. Phys. Chem. B 1998, 102, 10690-10697
19. Du, J.; Cormack, A. N. J. Non-Cryst. Solids 2004, 349, 66-79
20. Erratum: Du, J.; Cormack, A. N. J. Non-Cryst. Solids 2005, 351, 956
21. Tilocca, A.; de Leeuw, N. H.; Cormack, A. N. Phys. Rev. B 2006, 73, 104209
22. Thomas, B. W. M.; Mead, R. N.; Mountjoy, G. J. Phys.: Condens. Mat. 2006, 18, 4697-4708
23. Ishibashi, H.; Shimomoto, K.; Nakahigashi, K. J. Phys. Chem. Solids 1994, 5, 809-814
24. Palko, J. W.; Kriven, W. M.; Sinogeikin, S. V.; Bass, J. D.; Sayir, A. J. Appl. Phys. 2001, 89, 7791
25. Bakaev, V. A.; Steele, W. A. J. Chem. Phys. 1999, 111, 9803
26. Smith, W.; Forester, T. R.; Todorov, I. T. DL-POLY is a molecular dynamics simulation package written by W. Smith, T. R. Forester, and I. T. Todorov and has been obtained from STFCs Daresbury Laboratory via the website http://www.ccp5.ac.uk/DL-POLY.
27. Day, D. E.; Day, T. E. Radiotherapy glasses. In An Introduction to Bioceramics; Hench, L. L.; Wilson, J., Eds.; World Scientific: River Edge, NJ, 1993; Chapter 17.
28. Cormack, A. N.; Du, J.; Zeitler, T. R. Phys. Chem. Chem. Phys. 2002, 4, 3193-3197
29. Pedone, A.; Malavasi, G.; Cormack, A. N.; Segre, U.; Menziani, M. C. Theo. Chem. Acc. 2008, 120, 557-564
30. Lusvardi, G.; Malavasi, G.; Tarsitano, F.; Menabure, L.; Menziani, M. C.; Pedone, A. J. Phys. Chem. B 2009, 113, 10331-10338
31. Linati, L.; Lusvardi, G.; Malavasi, G.; Menabure, L.; Menziani, M. C.; Mustarelli, P.; Pedone, A. J. Non-Cryst. Solids 2008, 354, 84-89
32. Liang, Y. F.; Miranda, C. R.; Scandolo, S. Phys. Rev. B 2007, 75, 024205
33. Du, J.; Benmore, C. J.; Corrales, R.; Hart, R. T.; Weber, J. K. R. J. Phys.: Condens. Matter 2009, 21, 205102
34. Mountjoy, G. J. Non-Cryst. Solids 2007, 353, 1849-1853
35. Sen, S.; Youngman, R. E. J. Phys. Chem. B 2004, 108, 7557-7564
36. Wilding, M. C.; Benmore, C. J.; McMillan, P. F. J. Non-Cryst. Solids 2002, 297, 143-155
37. Fundamentals of Inorganic Glasses; Varshneya, A. K., Ed.; Academic Press: New York, 1994.
38. Tilocca, A. Proc. R. Soc. A 2009, 465, 1003-1027
39. Wilding, M. C.; Navrotsky, A. J. Non-Cryst. Solids 2000, 265, 238-251
40. Corrales, L. R. J. Non-Cryst. Solids 2005, 351, 401-408
41. Schmücker, M.; Schneider, H. J. Non-Cryst. Solids 2002, 311, 211-215
42. Dupree, R.; Holland, D.; Mortuza, M. G. J. Non-Cryst. Solids 1990, 116, 148-160
43. Lin, C.-C.; Huang, L.-C.; Shen, P. J. Non-Cryst. Solids 2005, 351, 3195-3203
44. Maekawa, H.; Maekawa, T.; Kawamura, K.; Yokokawa, T. J. Non-Cryst. Solids 1991, 127, 53-64
45. Tilocca, A.; Cormack, A. N. Nuovo Cimento B 2008, 123, 1415
46. Lammert, H.; Heuer, A. Phys. Rev. B 2005, 72, 214202
47. Mead, R. N.; Mountjoy, G. J. Phys. Chem. B 2006, 110, 14273-78
48. Pfleiderer, P.; Horbach, J.; Binder, K. Chem. Geol. 2006, 229, 186-197
49. Winkler, A.; Horbach, J.; Kob, W.; Binder, K. J. Chem. Phys. 2004, 120, 384-393