Coordination chemistry of Ca sites at the surface of nanosized hydroxyapatite: Interaction with H2O and CO

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

Volumn 370, Issue 1963, 2012, Pages 1313-1336

  Bolis, Vera ^a,b   Busco, Claudia ^a,b   Martra, Gianmario ^b   Bertinetti, Luca ^b   Sakhno, Yuriy ^b   Ugliengo, Piero ^b   Chiatti, Fabio ^b   Corno, Marta ^b   Roveri, Norberto ^c  

^a UNIVERSITY OF EASTERN PIEDMONT   (Italy)

^b UNIVERSITY OF TURIN   (Italy)

^c UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

CO adsorption; IR spectroscopy; Microcalorimetry; Molecular modelling (ab initio calculations); Nanosized hydroxyapatite

Indexed keywords

APATITE; CALCIUM; CALCULATIONS; COORDINATION REACTIONS; GAS ADSORPTION; HYDRATION; HYDROPHILICITY; HYDROXYAPATITE; INFRARED SPECTROSCOPY; MOLECULAR MODELING; POSITIVE IONS;

AB INITIO CALCULATIONS; ADSORPTION MICROCALORIMETRY; CO ADSORPTION; CO-ORDINATIVELY UNSATURATED; COORDINATION CHEMISTRY; HYDRATED LAYER; INTERACTION ENERGIES; LEWIS ACIDIC; LOWER DENSITY; MICRO-CALORIMETRY; NANO-SIZED HYDROXYAPATITE; NANOSTRUCTURED HYDROXYAPATITE; SPECIFIC EFFECTS; SPECIMEN PREPARATION METHOD; SPECTROSCOPIC DATA; SPECTROSCOPIC MEASUREMENTS; SURFACE FEATURE; SURFACE SITES;

SURFACES;

CALCIUM; CARBON MONOXIDE; HYDROGEN; HYDROXYAPATITE; NANOMATERIAL; OXYGEN;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; MATERIALS TESTING; PARTICLE SIZE; SURFACE PROPERTY; ULTRASTRUCTURE;

CALCIUM; CARBON MONOXIDE; DURAPATITE; HYDROGEN; MATERIALS TESTING; MODELS, CHEMICAL; NANOSTRUCTURES; OXYGEN; PARTICLE SIZE; SURFACE PROPERTIES;

EID: 84857717657     PISSN: 1364503X     EISSN: None     Source Type: Journal    
DOI: 10.1098/rsta.2011.0273     Document Type: Article

References (56)

1. Dorozhkin, S. V. 2009 Calcium orthophosphates in nature, biology and medicine. Materials 2, 399-498. (doi:10.3390/ma2020399)
2. Roveri, N. & Palazzo, B. 2006 Hydroxyapatite nanocrystals as bone tissue substitute. In Nanotechnologies for the life sciences. Tissue, cell and organ engineering, vol. 9 (ed. C. S. S. R. Kumar), pp. 283-307. Weinheim, Germany: Wiley-VCH Verlag GmbH & Co. KGaA.
3. Jones, F. H. 2001 Teeth and bones: applications of surface science to dental materials and related biomaterials. Surf. Sci. Rep. 42, 75-205. (doi:10.1016/S0167-5729(00)00011-X)
4. Lowenstam, H. A. & Weiner, S. 1989 On biomineralization. New York, NY: Oxford University Press.
5. Glimcher, M. J., Bonar, L. C., Grynpas, M. D., Landis, W. J. & Roufosse, A. H. 1981 Recent studies of bone mineral: is the amorphous calcium phosphate theory valid? J. Cryst. Growth. 53, 100-119. (doi:10.1016/0022- 0248(81)90058-0)
6. Mann, S. 2001 Biomineralization: principles and concepts in bioinorganic materials chemistry. New York, NY: Oxford University Press.
7. Hench, L. L. 2006 The story of bioglass. J. Mater. Sci. Mater. Med. 17, 967-978. (doi:10.1007/s10856-006-0432-z)
8. Kokubo, T. 1996 Formation of biologically active bone-like apatite on metals and polymers by a biomimetic process. Thermochim. Acta 280-281, 479-490. (doi:10.1016/0040-6031(95)02784-X)
9. Hench, L. L. & Wilson, J. 1993 Introduction to bioceramics. Singapore: World Scientific.
10. Iafisco, M. et al. 2009 Smart delivery of antitumoral platinum complexes from biomimetic hydroxyapatite nanocrystals. J. Mater. Chem. 19, 8385-8392. (doi:10.1039/b914379c)
11. Iafisco, M., Palazzo, B., Falini, G., Di Foggia, M., Bonora, S., Nicolis, S., Casella, L. & Roveri, N. 2008 Adsorption and conformational change of myoglobin on biomimetic hydroxyapatite nanocrystals functionalized with alendronate. Langmuir 24, 4924-4930. (doi:10.1021/la703381h)
12. Kandori, K., Miyagawa, K. & Ishikawa, T. 2004 Adsorption of immunogamma globulin onto various synthetic calcium hydroxyapatite particles. J. Colloid Interface Sci. 273, 406-413. (doi:10.1016/j.jcis.2004.01.069)
13. Kandori, K., Fudo, A. & Ishikawa, T. 2000 Adsorption of myoglobin onto various synthetic hydroxyapatite particles. Phys. Chem. Chem. Phys. 2, 2015-2020. (doi:10.1039/a909396f)
14. Peroos, S., Du, Z. & de Leeuw, N. H. 2006 A computer modelling study of the uptake, structure and distribution of carbonate defects in hydroxy apatite. Biomaterials 27, 2150-2161. (doi:10.1016/j.biomaterials.2005.09.025)
15. Almora-Barrios, N., Austen, K. F. & de Leeuw, N. H. 2009 Density functional theory study of the binding of glycine, proline, and hydroxyproline to the hydroxyapatite (0001) and (011#0) surfaces. Langmuir 25, 5018-5025. (doi:10.1021/la803842g)
16. de Leeuw, N. H. 2010 Computer simulations of structures and properties of the biomaterial hydroxyapatite. J. Mater. Chem. 20, 5376-5389. (doi:10.1039/b921400c)
17. Castner, D. G. & Ratner, B. D. 2002 Biomedical surface science: foundations to frontiers. Surf. Sci. 500, 28-60. (doi:10.1016/S0039-6028(01) 01587-4)
18. Kasemo, B. 2002 Biological surface science. Surf. Sci. 500, 656-677. (doi:10.1016/S0039-6028(01)01809-X)
19. Tirrell, M., Kokkoli, E. & Biesalski, M. 2002 The role of surface science in bioengineered materials. Surf. Sci. 500, 61-83. (doi:10.1016/S0039- 6028(01)01548-5)
20. Tampieri, A., Sandri, M., Landi, E., Celotti, G., Roveri, N., Mattioli-Belmonte, M., Virgili, L., Gabbanelli, F. & Biagini, G. 2005 HA/arginate hybrid composites prepared trough bioinspired nucleation. Acta Biomater. 1, 343-351. (doi:10.1016/j.actbio.2005.01.001)
21. Tampieri, A., Celotti, G. & Landi, E. 2005 From biomimetic apatites to biologically inspired composites. Anal. Bioanal. Chem. 381, 568-576. (doi:10.1007/s00216-004-2943-0)
22. Landi, E., Tampieri, A., Celotti, G., Langenati, R., Sandri, M. & Sprio, S. 2005 Nucleation of biomimetic apatite in synthetic body fluids: dense and porous scaffold development. Biomaterials 26, 2835-2845. (doi:10.1016/j.biomaterials.2004.08.010)
23. Palazzo, B., Walsh, D., Iafisco, M., Foresti, E., Bertinetti, L., Martra, G., Bianchi, C. L., Cappelletti, G. & Roveri, N. 2009 Amino acid synergetic effect on structure, morphology and surface properties of biomimetic apatite nanocrystals. Acta Biomater. 5, 1241-1252. (doi:10.1016/j.actbio.2008.10.024)
24. Kasemo, B. 1998 Biological surface science. Curr. Opin. Solid State Mater. Sci. 3, 451-459. (doi:10.1016/S1359-0286(98)80006-5)
25. Bertinetti, L., Tampieri, A., Landi, E., Ducati, C., Midgley, P. A., Coluccia, S. & Martra, G. 2007 Surface structure, hydration, and cationic sites of nanohydroxyapatite: UHR-TEM, IR, and microgravimetric studies. J. Phys. Chem. C 111, 4027-4035. (doi:10.1021/jp066040s)
26. Sakhno, Y., Bertinetti, L., Iafisco, M., Tampieri, A., Roveri, N. & Martra, G. 2010 Surface hydration and cationic sites of nanohydroxyapatites with amorphous or crystalline surfaces: a comparative study. J. Phys. Chem. C 114, 16 640-16 648. (doi:10.1021/jp105971s)
27. Sakhno, Y., Iafisco, M., Roveri, N., Coluccia, S. & Martra, G. In preparation. Effect of the preparation conditions on the surface and interface features of nanohydroxyapatites.
28. Corno, M., Orlando, R., Civalleri, B. & Ugliengo, P. 2007 Periodic B3LYP study of hydro-xyapatite (001) surface modelled by thin layer slab. Eur. J. Mineral. 19, 757-767. (doi:10. 1127/0935-1221/2007/0019-1764)
29. Corno, M., Busco, C., Bolis, V., Tosoni, S. & Ugliengo, P. 2009 Water adsorption on the stoichiometric (001) and (010) surfaces of hydroxyapatite: a periodic B3LYP study. Langmuir 25, 2188-2198. (doi:10.1021/la803253k)
30. Corno, M., Rimola, A., Bolis, V. & Ugliengo, P. 2010 Hydroxyapatite as a key biomaterial: quantum-mechanical simulation of its surfaces in interaction with biomolecules. Phys. Chem. Chem. Phys. 12, 6309-6329. (doi:10.1039/c002146f)
31. Rimola, A., Corno, M., Zicovich-Wilson, C. M. & Ugliengo, P. 2008 Ab initio modeling of protein/biomaterial interactions: glycine adsorption at hydroxyapatite surfaces. J. Am. Chem. Soc. 130, 16 181-16 183. (doi:10.1021/ja806520d)
32. Jena, K. C. & Hore, D. K. 2010 Water structure at solid surfaces and its implications for biomolecule adsorption. Phys. Chem. Chem. Phys. 12, 14 383-14 404. (doi:10.1039/C0CP00260G)
33. Zahn, D. & Hochrein, O. 2003 Computational study of interfaces between hydroxyapatite and water. Phys. Chem. Chem. Phys. 5, 4004-4007. (doi:10.1039/b306358e)
34. Capriotti, L. A., Beebe Jr, T. P., & Schneider, J. P. 2007 Hydroxyapatite surface-induced peptide folding. J. Am. Chem. Soc. 129, 5281-5287. (doi:10.1021/ja070356b)
35. Cerruti, M., Magnacca, G., Bolis, V. & Morterra, C. 2003 Characterization of sol-gel bioglasses with the use of simple model systems: a surface-chemistry approach. J. Mater. Chem. 13, 1279-1286. (doi:10.1039/ b300961k)
36. Brunauer, S., Emmett, P. H. & Teller, E. J. 1938 Adsorption of gases in multimolecular layers. J. Am. Chem. Soc. 60, 309-319. (doi:10.1021/ ja01269a023)
37. Bolis, V., Busco, C. & Ugliengo, P. 2006 Thermodynamic study of water adsorption in high-silica zeolites. J. Phys. Chem. B 110, 14 849-14 859. (doi:10.1021/jp061078q)
38. Fubini, B., Bolis, V., Bailes, M. & Stone, F. S. 1989 The reactivity of oxides with water vapor. Solid State Ionics 32-33, 258-272. (doi:10.1016/0167-2738(89)90230-0)
39. Bolis, V., Busco, C., Aina, V., Morterra, C. & Ugliengo, P. 2008 Surface properties of silica-based biomaterials: Ca species at the surface of amorphous silica as model sites. J. Phys. Chem. C 112, 16 879-16 892. (doi:10.1021/jp805206z)
40. Bolis, V., Maggiorini, S., Meda, L., D'Acapito, F., Turnes Palomino, G., Bordiga, S. & Lamberti, C. 2000 X-ray photoelectron spectroscopy and X-ray absorption near edge structure study of copper sites hosted at the internal surface of ZSM-5 zeolite: a comparison with quantitative and energetic data on the CO and NH3 adsorption. J. Chem. Phys. 113, 9248-9261. (doi:10.1063/1. 1319318)
41. Dovesi, R. et al. 2009 CRYSTAL09 (CRYSTAL09 user's manual). University of Torino, Torino, Italy.
42. Grimme, S. 2006 Semiempirical GGA-type density functional constructed with a long-range dispersion correction. J. Comput. Chem. 27, 1787-1799. (doi:10.1002/jcc.20495)
43. Nancollas, G. H. 1982 Biological mineralization and demineralization. Berlin, Germany: Springer.
44. Le Geros, R. Z. & Le Geros, J. P. 1984 Phosphate minerals. New York, NY: Springer.
45. Kukura, M., Bell, L. C., Posner, A. M. & Quirk, J. P. 1972 Radioisotope determination of the surface concentrations of calcium and phosphorus on hydroxyapatite in aqueous solution. J. Phys. Chem. B 76, 900-904. (doi:10.1021/j100650a019)
46. Bolis, V., Busco, C., Martra, G., Bertinetti, L., Ugliengo, P., Chiatti, F., Corno, M. & Roveri, N. In preparation.
47. Bertinetti, L., Tampieri, A., Landi, E., Bolis, V., Busco, C. & Martra, G. 2008 Surface structure, hydration and cationic sites of nanohydroxyapatite. Key Eng. Mater. 361-363, 87-90. (doi:10.4028/www.scientific. net/KEM.361-363.87)
48. Aina, V., Bonino, F., Morterra, C., Miola, M., Bianchi, C. L., Malavasi, G., Marchetti, M. & Bolis, V. 2011 Influence of the chemical composition on nature and activity of the surface layer of Zn-substituted sol-gel (bioactive) glasses. J. Phys. Chem. C 115, 2196-2210. (doi:10.1021/jp 1101708)
49. Eisenberg, D. & Kauzmann, W. 1969 The structure and properties of water. London, UK: Oxford University Press.
50. Hadjiivanov, K. I. & Vayssilov, G. N. 2002 Characterization of oxide surfaces and zeolites by carbon monoxide as IR probe molecule. Adv. Catal. 47, 307-511. (doi:10.1016/S0360-0564(02) 47008-3)
51. Bolis, V., Barbaglia, A., Bordiga, S., Lamberti, C. & Zecchina, A. 2004 Heterogeneous nonclassical carbonyls stabilized in Cu(I)- and Ag(I)-ZSM-5 zeolites: thermodynamic and spectroscopic features. J. Phys. Chem. B 108, 9970-9983. (doi:10.1021/jp049613e)
52. Bolis, V., Magnacca, G. & Morterra, C. 1999 Surface properties of catalytic aluminas modified by alkaline-earth metal cations: a microcalorimetric and IR-spectroscopic study. Res. Chem. Interm. 25, 25-56. (doi:10.1163/ 156856799X00374)
53. Bolis, V., Cerrato, G., Magnacca, G. & Morterra, C. 1998 Surface acidity of metal oxides. Combined microcalorimetric and IR-spectroscopic studies of variously dehydrated systems. Thermochim. Acta 312, 63-77. (doi:10.1016/S0040-6031(97)00440-1)
54. Bolis, V., Fubini, B., Garrone, E., Giamello, E. & Morterra, C. 1989 A comparison between the Lewis acidity of non-d metal cations in Y-zeolites and on ionic surfaces. In Studies in surface science and catalysis: structure and reactivity of surfaces, vol. 48 (eds C. Morterra, A. Zecchina & G. Costa), pp. 159-166. Amsterdam, The Netherlands: Elsevier.
55. Vogler, E. A. 2001 Biological properties of water. In Water in biomaterials surface science (ed. M. Morra). Chichester, UK: John Wiley & Sons Ltd.
56. Vogler, E. A. 2004 Role of water in biomaterials. In Biomaterial science: an introduction to materials in medicine (eds B. D. Ratner, F. J. Schoen & J. E. Lemons). San Diego, CA: Elsevier Inc.