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Bioinorganic Chemistry and Applications
Volume 2015, Article ID 267985, 12 pages
http://dx.doi.org/10.1155/2015/267985
Research Article

SALMO and S3M: A Saliva Model and a Single Saliva Salt Model for Equilibrium Studies

1Dipartimento di Scienze Chimiche, Università di Messina, Viale F. Stagno d’Alcontres 31, 98166 Messina, Italy
2Dipartimento di Fisica e Chimica, Università di Palermo, Viale delle Scienze, Ed. 17, 90128 Palermo, Italy

Received 19 December 2014; Accepted 14 January 2015

Academic Editor: Guillermo Mendoza-Diaz

Copyright © 2015 Francesco Crea et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Linked References

  1. J. Buffle, Complexation Reactions in Aquatic Systems: An Analytical Approach, Ellis Horwood, Chichester, UK, 1988.
  2. F. M. M. Morel and J. G. Hering, Principles and Applications of Aquatic Chemistry, John Wiley & Sons, New York, NY, USA, 2nd edition, 1993.
  3. W. Stumm and J. J. Morgan, Aquatic Chemistry. Chemical Equilibria and Rates in Natural Waters, John Wiley & Sons, New York, NY, USA, 3rd edition, 1996.
  4. I. Grenthe and I. Puigdomenech, Modelling in Aquatic Chemistry, OECD Publications, Paris, France, 1997.
  5. F. J. Millero, Physical Chemistry of Natural Waters, John Wiley & Sons, New York, NY, USA, 2001.
  6. A. M. Ure and C. M. Davidson, Chemical Speciation in the Environment, Blackwell, 2nd edition, 2001.
  7. R. Cornelis, H. Crews, J. Caruso, and K. G. Heumann, Handbook of Elemental Speciation II: Species in the Environment, Food, Medicine and Occupational Health, John Wiley & Sons, Chichester, UK, 2005.
  8. C. Lentner, Geigy Scientific Tables, CIBA-Geigy, Basel, Switzerland, 8th edition, 1983.
  9. M. R. C. Marques, R. Loebenberg, and M. Almukainzi, “Simulated biological fluids with possible application in dissolution testing,” Dissolution Technologies, vol. 18, no. 3, pp. 15–28, 2011. View at Google Scholar · View at Scopus
  10. T. Riley, D. Christopher, J. Arp et al., “Challenges with developing in vitro dissolution tests for orally inhaled products (OIPs),” AAPS PharmSciTech, vol. 13, no. 3, pp. 978–989, 2012. View at Publisher · View at Google Scholar · View at Scopus
  11. D. Elder and R. Holm, “Aqueous solubility: simple predictive methods (in silico, in vitro and bio-relevant approaches),” International Journal of Pharmaceutics, vol. 453, no. 1, pp. 3–11, 2013. View at Publisher · View at Google Scholar · View at Scopus
  12. H. K. Batchelor, N. Fotaki, and S. Klein, “Paediatric oral biopharmaceutics: key considerations and current challenges,” Advanced Drug Delivery Reviews, vol. 73, pp. 102–126, 2014. View at Publisher · View at Google Scholar · View at Scopus
  13. W. A. Birru, D. B. Warren, A. Ibrahim et al., “Digestion of phospholipids after secretion of bile into the duodenum changes the phase behavior of bile components,” Molecular Pharmaceutics, vol. 11, no. 8, pp. 2825–2834, 2014. View at Publisher · View at Google Scholar
  14. C. de Stefano, C. Foti, S. Sammartano, A. Gianguzza, and C. Rigano, “Equilibrium studies in natural fluids. Use of synthetic seawater and other media as background salts,” Annali di Chimica, vol. 84, pp. 159–175, 1994. View at Google Scholar
  15. A. De Robertis, C. De Stefano, S. Sammartano, and A. Gianguzza, “Equilibrium studies in natural fluids. A chemical speciation model for the major constituents of seawater,” Chemical Speciation & Bioavailability, vol. 6, pp. 65–84, 1994. View at Google Scholar
  16. D. M. Templeton, F. Ariese, R. Cornelis et al., “Guidelines for terms related to chemical speciation and fractionation of elements. Definitions, structural aspects, and methodological approaches,” Pure and Applied Chemistry, vol. 72, no. 8, pp. 1453–1470, 2000. View at Google Scholar · View at Scopus
  17. P. G. Daniele, C. De Stefano, M. Marangella, C. Rigano, and S. Sammartano, “URSUS: a computer program for urine speciation,” Clinical Biochemistry, vol. 13, pp. 507–510, 1989. View at Google Scholar
  18. M. C. Gennaro, S. Aime, E. Santucci, M. Causà, and C. de Stefano, “Complexes of diethylenetriaminepentaacetic acid as contrast agents in NMR imaging. Computer simulation of equilibria in human blood plasma,” Analytica Chimica Acta, vol. 233, no. 1, pp. 85–100, 1990. View at Publisher · View at Google Scholar · View at Scopus
  19. C. De Stefano, C. Foti, A. Gianguzza, and S. Sammartano, “The single salt approximation for the major components of seawater: association and acid-base properties,” Chemical Speciation and Bioavailability, vol. 10, no. 1, pp. 27–29, 1998. View at Publisher · View at Google Scholar · View at Scopus
  20. J.-Y. Gal, Y. Fovet, and M. Adib-Yadzi, “About a synthetic saliva for in vitro studies,” Talanta, vol. 53, no. 6, pp. 1103–1115, 2001. View at Publisher · View at Google Scholar · View at Scopus
  21. M. Björklund, A. C. Ouwehand, and S. D. Forssten, “Improved artificial saliva for studying the cariogenic effect of carbohydrates,” Current Microbiology, vol. 63, no. 1, pp. 46–49, 2011. View at Publisher · View at Google Scholar · View at Scopus
  22. J. Mystkowska, M. Jałbrzykowski, and J. R. Dabrowski, “Tribological properties of selected self-made solutions of synthetic saliva,” Solid State Phenomena, vol. 199, pp. 567–572, 2013. View at Publisher · View at Google Scholar · View at Scopus
  23. C. de Stefano, C. Foti, A. Gianguzza, D. Piazzes, and S. Sammartano, “Binding ability of inorganic major components of sea water towards some classes of ligands, metal and organometallic cations,” in Chemistry of Marine Water and Sediments, A. Gianguzza, E. Pelizzetti, and S. Sammartano, Eds., Environmental Science, pp. 221–261, Springer, Berlin, Germany, 2002. View at Publisher · View at Google Scholar
  24. F. Crea, C. De Stefano, A. Gianguzza, D. Piazzese, and S. Sammartano, “Speciation of poly-amino carboxylic compounds in seawater,” Chemical Speciation and Bioavailability, vol. 15, no. 3, pp. 75–86, 2003. View at Publisher · View at Google Scholar · View at Scopus
  25. C. Foti, A. Gianguzza, D. Milea, F. J. Millero, and S. Sammartano, “Speciation of trialkyltin(IV) cations in natural fluids,” Marine Chemistry, vol. 85, no. 3-4, pp. 157–167, 2004. View at Publisher · View at Google Scholar · View at Scopus
  26. A. Gianguzza, D. Milea, F. J. Millero, and S. Sammartano, “Hydrolysis and chemical speciation of dioxouranium(VI) ion in aqueous media simulating the major ion composition of seawater,” Marine Chemistry, vol. 85, no. 3-4, pp. 103–124, 2004. View at Publisher · View at Google Scholar · View at Scopus
  27. C. de Stefano, A. Gianguzza, D. Piazzese, and S. Sammartano, “Speciation of organic matter in natural waters—interaction of polyacrylates and polymethacrylates with major cation components of seawater,” Marine Chemistry, vol. 86, no. 1-2, pp. 33–44, 2004. View at Publisher · View at Google Scholar · View at Scopus
  28. F. Crea, A. Giacalone, A. Gianguzza, D. Piazzese, and S. Sammartano, “Modelling of natural and synthetic polyelectrolyte interactions in natural waters by using SIT, Pitzer and Ion Pairing approaches,” Marine Chemistry, vol. 99, no. 1–4, pp. 93–105, 2006. View at Publisher · View at Google Scholar · View at Scopus
  29. C. Foti, G. Lando, F. J. Millero, and S. Sammartano, “Experimental study and modelling of inorganic Cd2+ speciation in natural waters,” Environmental Chemistry, vol. 8, no. 3, pp. 320–331, 2011. View at Publisher · View at Google Scholar · View at Scopus
  30. R. M. Cigala, F. Crea, C. de Stefano, G. Lando, D. Milea, and S. Sammartano, “The inorganic speciation of tin(II) in aqueous solution,” Geochimica et Cosmochimica Acta, vol. 87, pp. 1–20, 2012. View at Publisher · View at Google Scholar · View at Scopus
  31. G. N. Jenkins, The Physiology and Biochemistry of the Mouth, Blackwell Scientific Publications, Oxford, UK, 4th edition, 1978.
  32. P. D. V. De Almeida, A. M. T. Grégio, M. Â. N. Machado, A. A. S. De Lima, and L. R. Azevedo, “Saliva composition and functions: a comprehensive review,” Journal of Contemporary Dental Practice, vol. 9, no. 3, pp. 72–80, 2008. View at Google Scholar · View at Scopus
  33. M. Edgar, C. Dawes, and D. O'Mullane, Saliva and Oral Health, London, UK, Stephen Hancocks Ltd, 4th edition, 2012.
  34. G. S. Duffó and E. Q. Castillo, “Development of an artificial saliva solution for studying the corrosion behavior of dental alloys,” Corrosion, vol. 60, no. 6, pp. 594–602, 2004. View at Publisher · View at Google Scholar · View at Scopus
  35. M. T. Beck and I. Nagypàl, Chemistry of Complex Equilibria, Ellis Horwood, New York, NY, USA, 1990.
  36. L. G. Sillén and A. E. Martell, Stability Constants of Metal Ion Complexes, Special Publication no. 17, The Chemical Society, John Wiley & Sons, London, UK, 1964.
  37. L. G. Sillén and A. E. Martell, Stability Constants of Metal Ion Complexes, Supplement Special Publication no. 25, Wiley, London, UK, 1964.
  38. E. Hogfeldt, Stability Constants of Metal-Ion Complexes. Part: A: Inorganic Ligands, IUPAC Chemical Data Series, Pergamon Press, Oxford, UK, 1982.
  39. A. E. Martell, R. M. Smith, and R. J. Motekaitis, NIST Standard Reference Database 46, Version 8.0, National Institute of Standards and Technology, Gaithersburg, Md, USA, 2004.
  40. D. Pettit and K. Powell, IUPAC Stability Constants Database, Academic Software, Otley, UK, 2004.
  41. P. M. May, D. Rowland, E. Königsberger, and G. Hefter, “JESS, a Joint Expert Speciation System—IV: a large database of aqueous solution physicochemical properties with an automatic means of achieving thermodynamic consistency,” Talanta, vol. 81, no. 1-2, pp. 142–148, 2010. View at Publisher · View at Google Scholar · View at Scopus
  42. A. Casale, A. de Robertis, C. de Stefano et al., “Thermodynamic parameters for the formation of glycine complexes with magnesium(II), calcium(II), lead(II), manganese(II), cobalt(II), nickel(II), zinc(II) and cadmium(II) at different temperatures and ionic strengths, with particular reference to natural fluid conditions,” Thermochimica Acta, vol. 255, pp. 109–141, 1995. View at Publisher · View at Google Scholar · View at Scopus
  43. P. Amico, P. G. Daniele, C. Rigano, and S. Sammartano, “Formation and stability of ammonium-sulphate, phosphate, oxalate and citrate complexes in aqueous solution,” Annali di Chimica (Rome), vol. 71, pp. 659–667, 1981. View at Google Scholar
  44. P. G. Daniele, C. Rigano, and S. Sammartano, “Formation and stability of calcium- and magnesium-phosphate complexes in aqueous solution at 37°C. A potentiometric investigation by glass and calcium ion-selective electrodes in the ionic strength range 0.03 < I < 0.5,” Annali di Chimica, vol. 72, p. 341, 1982. View at Google Scholar
  45. P. G. Daniele, M. Grasso, C. Rigano, and S. Sammartano, “The formation of proton- and alkali metal complexes with ligands of biological interest in aqueous solution. Formation constants of H+, Li+, Na+, K+-phosphate complexes and their dependence on ionic strength,” Annali di Chimica, vol. 73, p. 495, 1983. View at Google Scholar
  46. P. G. Daniele, A. de Robertis, C. de Stefano, A. Gianguzza, and S. Sammartano, “Salt effects on the protonation of ortho-phosphate between 10 and 50°C in aqueous solution. A complex formation model,” Journal of Solution Chemistry, vol. 20, no. 5, pp. 495–515, 1991. View at Publisher · View at Google Scholar · View at Scopus
  47. A. Bahta, G. A. Parker, and D. G. Tuck, “Critical survey of stability constants of complexes of thiocyanate ion,” Pure and Applied Chemistry, vol. 69, no. 7, pp. 1489–1548, 1997. View at Publisher · View at Google Scholar
  48. A. M. Bond and G. T. Hefter, Critical Survey of Stability Constants and Related Thermodynamic Data of Fluoride Complexes in Aqueous Solution, vol. 27 of Chemistry Data Series, 1980.
  49. G. Hefter, “Simple electrostatic correlations of fluoride complexes in aqueous solution,” Coordination Chemistry Reviews, vol. 12, no. 3, pp. 221–239, 1974. View at Publisher · View at Google Scholar · View at Scopus
  50. F. Crea, C. De Stefano, A. Gianguzza, D. Piazzese, and S. Sammartano, “Protonation of carbonate in aqueous tetraalkylammonium salts at 25°C,” Talanta, vol. 68, no. 4, pp. 1102–1112, 2006. View at Publisher · View at Google Scholar · View at Scopus
  51. C. de Stefano, A. Famá, and G. Salvo, “Thermodynamic parameters for the protonation of urea at different temperatures and ionic strengths,” Journal of Solution Chemistry, vol. 21, no. 4, pp. 397–404, 1992. View at Publisher · View at Google Scholar · View at Scopus
  52. P. G. Daniele, A. de Robertis, and S. Sammartano, “The effect of urea on the protonation of acetate, oxalate, malonate, citrate and sulfate in aqueous sodium, potassium, calcium chloride and tetraethylammonium iodide,” Annali di Chimica, vol. 82, pp. 503–516, 1992. View at Google Scholar
  53. P. G. Daniele, C. Rigano, and S. Sammartano, “Studies on sulphate complexes. Part I. Potentiometric investigation of Li+, Na+, K+, Rb+ and Cs+ complexes at 37°C and 0.03 < I < 0.5,” Inorganica Chimica Acta, vol. 63, pp. 267–272, 1982. View at Publisher · View at Google Scholar · View at Scopus
  54. C. De Stefano, C. Rigano, S. Sammartano, and R. Scarcella, “Studies on sulphate complexes. Literature data analysis of the stability of HSO4- and NaSO4- species in aqueous perchlorate solution at various temperatures and ionic strengths,” Journal of Chemical Research, no. 11, pp. 372–373, 1988. View at Google Scholar
  55. R. M. Cigala, M. Cordaro, F. Crea et al., “Acid-base properties and alkali and alkaline earth metal complex formation in aqueous solution of diethylenetriamine-N,N,N′,N′′,N′′-pentakis(methylenephosphonic acid) obtained by an efficient synthetic procedure,” Industrial & Engineering Chemistry Research, vol. 53, no. 23, pp. 9544–9553, 2014. View at Publisher · View at Google Scholar
  56. F. Crea, D. Milea, and S. Sammartano, “Enhancement of hydrolysis through the formation of mixed hetero-metal species,” Talanta, vol. 65, no. 1, pp. 229–238, 2005. View at Publisher · View at Google Scholar · View at Scopus
  57. F. Crea, D. Milea, and S. Sammartano, “Enhancement of hydrolysis through the formation of mixed hetero-metal species: dioxouranium(VI)—cadmium(II) mixtures,” Annali di Chimica, vol. 95, no. 11-12, pp. 767–778, 2005. View at Publisher · View at Google Scholar · View at Scopus
  58. P. Crea, C. de Stefano, D. Milea, and S. Sammartano, “Formation and stability of mixed Mg2+/Ca2+/phytate species in synthetic seawater media. Consequences on ligand speciation,” Marine Chemistry, vol. 112, no. 3-4, pp. 142–148, 2008. View at Publisher · View at Google Scholar · View at Scopus
  59. R. M. Cigala, C. de Stefano, A. Giacalone, A. Gianguzza, and S. Sammartano, “Enhancement of hydrolysis through the formation of mixed heterometal species: Al3+/CH3Sn3+ mixtures,” Journal of Chemical & Engineering Data, vol. 58, no. 3, pp. 821–826, 2013. View at Publisher · View at Google Scholar
  60. R. M. Cigala, F. Crea, C. de Stefano, G. Lando, D. Milea, and S. Sammartano, “Thermodynamics of binary and ternary interactions in the tin(II)/phytate system in aqueous solutions, in the presence of Cl or F,” Journal of Chemical Thermodynamics, vol. 51, pp. 88–96, 2012. View at Publisher · View at Google Scholar
  61. R. M. Cigala, F. Crea, C. de Stefano, D. Milea, S. Sammartano, and M. Scopelliti, “Speciation of tin(II) in aqueous solution: thermodynamic and spectroscopic study of simple and mixed hydroxocarboxylate complexes,” Monatshefte für Chemie, vol. 144, no. 6, pp. 761–772, 2013. View at Publisher · View at Google Scholar · View at Scopus
  62. R. M. Cigala, F. Crea, C. de Stefano, C. Foti, D. Milea, and S. Sammartano, “Zinc(II) complexes with hydroxocarboxylates and mixed metal species with tin(II) in different salts aqueous solutions at different ionic strengths: formation, stability, and weak interactions with supporting electrolytes,” Monatshefte für Chemie—Chemical Monthly, 2015. View at Publisher · View at Google Scholar
  63. C. de Stefano, P. Princi, C. Rigano, and S. Sammartano, “The calculation of equilibrium concentrations. ES4EC1: a FORTRAN program for computing distribution diagrams and titration curves,” Computers & Chemistry, vol. 13, no. 4, pp. 343–359, 1989. View at Google Scholar · View at Scopus
  64. L. Alderighi, P. Gans, A. Ienco, D. Peters, A. Sabatini, and A. Vacca, “Hyperquad simulation and speciation (HySS): a utility program for the investigation of equilibria involving soluble and partially soluble species,” Coordination Chemistry Reviews, vol. 184, no. 1, pp. 311–318, 1999. View at Publisher · View at Google Scholar · View at Scopus
  65. P. G. Daniele, A. De Robertis, C. De Stefano, S. Sammartano, and C. Rigano, “On the possibility of determining the thermodynamic parameters for the formation of weak complexes using a simple model for the dependence on ionic strength of activity coefficients: Na+, K+, and Ca2+ complexes of low molecular weight ligands in aqueous solution,” Journal of the Chemical Society, Dalton Transactions, no. 11, pp. 2353–2361, 1985. View at Publisher · View at Google Scholar · View at Scopus
  66. P. G. Daniele, C. de Stefano, C. Foti, and S. Sammartano, “The effect of ionic strength and ionic medium on the thermodynamic parameters of protonation and complex formation,” Current Topics in Solution Chemistry, vol. 2, pp. 253–274, 1997. View at Google Scholar
  67. F. Crea, C. Foti, D. Milea, and S. Sammartano, “Speciation of cadmium in the environment,” in Cadmium: From Toxicity to Essentiality, A. Sigel, H. Sigel, and R. K. O. Sigel, Eds., pp. 63–83, Springer Science+Business Media B.V., Dordrecht, Netherlands, 2013. View at Google Scholar
  68. F. Crea, C. de Stefano, C. Foti, D. Milea, and S. Sammartano, “Chelating agents for the sequestration of mercury(II) and monomethyl mercury(II),” Current Medicinal Chemistry, vol. 21, no. 33, pp. 3819–3836, 2014. View at Publisher · View at Google Scholar
  69. D. Cucinotta, C. de Stefano, O. Giuffrè, G. Lando, D. Milea, and S. Sammartano, “Formation, stability and empirical relationships for the binding of Sn2+ by O-, N- and S-donor ligands,” Journal of Molecular Liquids, vol. 200, part B, pp. 329–339, 2014. View at Publisher · View at Google Scholar
  70. P. G. Daniele, C. Foti, A. Gianguzza, E. Prenesti, and S. Sammartano, “Weak alkali and alkaline earth metal complexes of low molecular weight ligands in aqueous solution,” Coordination Chemistry Reviews, vol. 252, no. 10-11, pp. 1093–1107, 2008. View at Publisher · View at Google Scholar · View at Scopus