Hydration, swelling, interlayer structure, and hydrogen bonding in organolayered double hydroxides: Insights from molecular dynamics simulation of citrate-intercalated hydrotalcite

Journal of Physical Chemistry B

Volumn 110, Issue 9, 2006, Pages 3841-3844

  Kumar, P Padma ^a   Kalinichev, Audrey G ^a   Kirkpatrick, R James ^a  

^a UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMATERIALS; DELAMINATION; HYDRATION; HYDROGEN BONDS; INTERCALATION COMPOUNDS; MOLECULAR DYNAMICS; NEGATIVE IONS;

CHARGE BALANCING INTERLAYER ANIONS; CITRATE MOLECULES; HYDROTALCITE; HYDROXYL GROUPS; METAL HYDROXIDES;

METALLIC COMPOUNDS;

EID: 33645692160     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp057069j     Document Type: Article

References (23)

1. Layered Double Hydroxides: Present and Future; Rives, V., Ed.; Nova Science Publishers Inc.: New York, 2001; p 115.
2. Braterman, P. S.; Xu, Z. P.; Yarberry, F. Chemistry of layered double hydroxides. In Handbook of Layered Materials; Auerbach, S. A., Carrado, K. A., Dutta, P. K., Eds.; Marcel Dekker: New York, 2004; p 373.
3. Newman, S. P.; Jones, W. New J. Chem. 1998, 105.
4. Khan, A. I.; O'Hare, D. J. Mater. Chem. 2002, 12, 3191.
5. Khan, A. I.; Lei, L.; Norquist, A. J.; O'Hare, D. Chem. Commun. 2001, 2342.
6. Ambrogi, V.; Fardella, G.; Grandolini, G.; Perioli, L. Int. J. Pharm. 2001, 220, 23.
7. Kwak, S.-Y.; Kriven, W. M.; Wallig, M. A.; Choy, J.-H. Biomaterials 2004, 25, 5995.
8. Hibino, T.; Jones, W. J. Mater. Chem. 2001, 11, 1321.
9. Hibino, T.; Kobayashi, W. J. Mater. Chem. 2005, 15, 653.
10. Adachi-Pagano, M.; Forano, C.; Besse, J.-P. Chem. Commun. 2000, 91.
11. Bellotto, M.; Rebours, B.; Clause, O.; Lynch, J.; Bazin, D.; Elkaïm, E. J. Phys. Chem. B 1996, 100, 8535.
12. Bates, R. G.; Pinching, G. D. J. Am. Chem. Soc. 1949, 71, 1274.
13. Glusker, J. P. Acc. Chem. Res. 1989, 13, 345.
14. Cygan, R. T.; Liang, J.-J.; Kalinichev, A. G. J. Phys. Chem. B 2004, 108, 1255.
15. Berendsen, H. J. C.; Postma, J. P. M.; van Gunsteren, W. F.; Hermans, J. Interaction models for water in relation to protein hydration. In Intermolecular Forces; Pullman, B., Ed.; Riedel: Dordrecht, 1981; p 331.
16. Kitson, D. H.; Hagler, A. T. Biochemistry 1988, 27, 5246.
17. Wang, J.; Kalinichev, A. G.; Kirkpatrick, R. J.; Hou, X. Chem. Mater. 2001, 13, 145.
18. Hou, X.; Bish, D. L.; Wang, S.-L.; Johnston, C. T.; Kirkpatrick, R. J. Am. Miner. 2003, 88, 167.
19. Desiraju, G. R.; Steiner, T. The Weak Hydrogen Bond in Structural Chemistry and Biology; Oxford University Press: New York, 1999.
20. Luzar, A.; Chandler, D. Phys. Rev. Lett. 1996, 76, 928.
21. Kalinichev, A. G.; Kirkpatrick, R. J. Chem. Mater. 2002, 14, 3539.
22. Li, Q.; Kirkpatrick, R. J. Am. Miner, manuscript submitted.
23. Reinholdt, M.; Kirkpatrick, R. J. Chem. Mater., manuscript submitted.