Metal flux and dynamic speciation at (Bio)interfaces. Part I: Critical evaluation and compilation of physicochemical parameters for complexes with simple ligands and fulvic/humic substances

Environmental Science and Technology

Volumn 41, Issue 22, 2007, Pages 7609-7620

  Buffle, Jacques ^a   Zhang, Zeshi ^a   Startchev, Konstantin ^a  

^a UNIVERSITY OF GENEVA   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

DYNAMIC SPECIATION; PHYSICOCHEMICAL PARAMETERS;

COMPLEXATION; COMPUTATION THEORY; LIGANDS; MATHEMATICAL MODELS; POLYELECTROLYTES;

INTERFACES (MATERIALS);

FULVIC ACID; LIGAND; METAL COMPLEX; METAL ION; POLYELECTROLYTE;

COMPLEXATION; COMPUTATION THEORY; INTERFACES (MATERIALS); LIGANDS; MATHEMATICAL MODELS; POLYELECTROLYTES;

FULVIC ACID; HUMIC SUBSTANCE; LIGAND; METAL; PHYSICOCHEMICAL PROPERTY; SIZE DISTRIBUTION; SPECIATION (CHEMISTRY); THERMODYNAMICS;

AQUATIC ENVIRONMENT; CHEMICAL INTERACTION; COLLOID; COMPUTER INTERFACE; DIFFUSION; DIFFUSION COEFFICIENT; HUMIC SUBSTANCE; KINETICS; MACROMOLECULE; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; MATHEMATICAL PARAMETERS; MEDICAL LITERATURE; PARTICLE SIZE; PHYSICAL CHEMISTRY; REVIEW; THERMODYNAMICS;

DIFFUSION; ENVIRONMENTAL MONITORING; HUMIC SUBSTANCES; HYDROGEN-ION CONCENTRATION; KINETICS; LIGANDS; MACROMOLECULAR SUBSTANCES; METALS; METALS, HEAVY; SOIL POLLUTANTS; WATER; WATER POLLUTANTS;

EID: 36249014881     PISSN: 0013936X     EISSN: None     Source Type: Journal    
DOI: 10.1021/es070702p     Document Type: Review

References (76)

1. Thibodeaux, L. J. Chemo Dynamics; Wiley-Interscience, New York, 1979.
2. van Leeuwen, H. P.; Town, R. M.; Buffle, J.; eleven, R.; Davison, W.; Puy, J.; van Riemsdijk, W. H.; Sigg, L. Dynamic speciation analysis and bioavailability of metals in aquatic systems. Environ. Sci. Technol. 2005, 39, 8545-8585.
3. Tessier, A., Turner, D., Eds. Metal Speciation and Bioavailability in Aquatic Systems; IUPAC Series on Analytical and Physical Chemistry of Environmental Systems; Buffle, J., van Leeuwen, H. P., Eds.; Wiley, Chichester, U.K., 1995; Vol. 3.
4. van Leeuwen, H. P.; Galceran, J. In Physicochemical Kinetics and Transport at Chemical-Biological Surfaces; IUPAC Series on Analytical and Physical Chemistry of Environmental Systems; van Leeuwen, H. P., Koester, W., Eds.; John Wiley: Chichester, U.K., 2004; Vol. 9, Chapter 3.
5. Wilkinson, K. J.; Buffle, J. In Physicochemical Kinetics and Transport at Chemical-Biological Surfaces; IUPAC Series on Analytical and Physical Chemistry of Environmental Systems; van Leeuwen, H. P., Koester, W., Eds.; John Wiley: Chichester, U.K., 2004; Vol. 9, Chapter 10.
6. Playle, R. C. Modelling Metal Interactions at Fish Gills. Sci. Tot. Environ. 1998, 219, 147-163.
7. Morel, F. M. M.; Hering, J. G. Principle and Applications of Aquatic Chemistry, Wiley-Interscience: New York, 1983.
8. Allison, J. D.; Brown, D. S.; Novo-Gradac, K. J. MINTEQA2/PRODEFA2, A Geochemical Assessment Model for Environmental Systems, version 3.0; U.S. Environmental Protection Agency, Office of Research and Development: Washington, DC, 1991; EPA 600/3-91/021.
9. Tipping, E. WHAM - A chemical equilibrium model and computer code for waters, sediments, and soils incorporating a discrete site/electrostatic model of ion-binding by humic substances. Comput. Geosci. 1994, 20, 973-1023.
10. PHREEQC: A Computer Program for Speciation, Batch Reaction, One-Dimensional Transport, and Inverse Geochemical Calculations, Windows version 2.13.3-1802; U.S. Geological Survey: Reston, VA, 2007; http://wwwbrr.cr.usgs.gov/projects/GWC_coupled/phreeqc/index.html.
11. Campbell, P. G. C. Interactions between trace metals and aquatic organisms: A critique of the free-ion activity model. In Metal Speciation and Bioavailability in Aquatic Systems; IUPAC Series on Analytical and Physical Chemistry Environmental Systems; Tessier, A., Turner, D., Eds ; Wiley: Chichester, U.K., 1995; Vol. 3, Chapter 3.
12. Sunda, W. G.; Huntsman, S. A. Effect of Zn, Mn and Fe on Cd accumulation in phytoplancton; implication for oceanic Cd cycling. Limnol. Oceanogr. 2000, 45, 1501-1516.
13. Fortin, C.; Campbell, P. G. C. Silver uptake by the green alga Chlamydomonas reinhardtii in relation to chemical speciation: Influence of chloride. Environ. Toxicol. Chem. 2000, 19, 2769-2778.
14. Sunda, W. G.; Huntsman, S. A. Co and Zn interreplacement in marine phytoplankton: Biological and geochemical implications. Limnol. Oceanog. 1995, 40, 1404-1417.
15. Sunda, W. G.; Huntsman, S. Regulation of cellular manganese and manganese transport rates in the unicellular alga Chlamydomonas, Limnol. Oceanogr. 1985, 30, 71-80.
16. Unsworth, E. R.; Warnken, K. W.; Zhang, H.; Davison, W.; Black, F.; Buffle, J.; Cao, J.; eleven, R.; Galceran, J.; Gunkel, P.; Kalis, E.; Kistler, D.; van Leeuwen, H. P.; Martin, M.; Noël, S.; Nur, Y.; Odzak, N.; Puy, J.; van Riemsdijk, W.; Sigg, L.; Temminghoff, E.; Tercier-Waeber, M. L.; Toepperwien, S.; Town, R. M.; Weng, L.; Xue, H. Model predictions of metal speciation in freshwaters compared to measurements by in situ techniques. Environ. Sci. Technol. 2006, 40, 1942-1949.
17. Slaveykova, V.; Wilkinson, K. J. Physico-chemical aspects of Pb accumulation by Chlorella Vulgaris. Environ. Sci. Technol. 2002, 36, 969-975.
18. Heyrovsky, J.; Kuta, J. Principles of Polarography; Academic Press: New York, 1966.
19. van Leeuwen, H. P. Metal speciation dynamics and bioavailability. Environ. Sci. Technol. 1999, 33, 3743-3748.
20. Galceran, J.; Puy, J.; Salvador, J.; Cecilia, J.; van Leeuwen, H. P. Voltammetric lability of metal complexes at spherical microelectrodes with various radii. J. Electroanal. Chem. 2001, 505, 85-94.
21. Turner, D. R.; Whitfield, M. The reversible electrodeposition of trace metal ions from multi-ligand systems. Part I. Theory. J. Electroanal. Chem. 1979, 103, 43-60.
22. Whitfield, M.; Turner, D. R. Critical assessment of the relationship between biological, thermodynamic and electrochemical availability. In Chemical Modeling in Aqueous Systems; Jenne, E. A., Ed.; American Chemical Society: Washington, DC, 1979; pp. 657-680.
23. Galceran, J.; Puy, J.; Salvador, J.; Cecilia, J.; Mas, F.; Garces, J. L. Lability and mobility effects on multicomponent steady-state diffusion. Mixtures of complexing ligands with a finite number of affinities. Phys. Chem. Chem. Phys. 2003, 5, 5091-5100.
24. Xue, H. B.; Sigg, L. Zn speciation in lake waters and its determination by ligand exchange with EDTA and differential pulse anodic stripping voltammetry. Anal. Chim. Acta 1994, 284, 505-515.
25. Bruland, K. W.; Complexation of zinc by natural organic ligands in the central North Pacific. Limnol. Oceanogr. 1989, 34, 269-285.
26. Buffle, J.; Startchev, K.; Galceran, J. Computing steady-state metal flux at microorganism and bioanalogical sensor interfaces in multiligand systems. A reaction layer approximation and its comparison with the rigorous solution. Phys. Chem. Chem. Phys. 2007, 9, 2844-2855.
27. Alemani, D.; Buffle, J.; Zhang, Z.; Galceran, J.; Chopard, B. Metal flux and dynamic speciation at (bio) interfaces: Part III. MHEDYN, a general code for metal flux computation in the presence of simple fulvic and particulate complexants and their mixtures. Submitted for publication.
28. Buffle, J. Complexation Reactions in Aquatic Systems; Ellis Horwood: Chichester, U.K., 1988.
29. Buffle, J.; Tercier-Waeber, M. L. Voltammetric environmental trace metal analysis and speciation. From laboratory to in situ measurements. Trends Anal. Chem. 2005, 24, 172-191.
30. Levich, V. G. Physicochemical Hydrodynamics, 2nd ed.; Prentice Hall: Englewood Cliffs, N.J., 1962.
31. McLaughlin, E. Viscosity and self-diffusion in liquids. Trans. Farad. Soc. 1959, 55, 28-38.
32. Tanford, C. Physical Chemistry of Macromolecules; J. Wiley and Sons: New York, 1961.
33. Meunier, F.; Wilkinson, K. J. Nonperturbing fluorescent labeling of polysaccharides. Biomacromolecules 2002, 3, 857-864.
34. Smith, R. M.; Martell, A. E. Critical Stability Constants, Plenum Press: New York, 1975-76; Vol. I-IV.
35. Perrin, D. D. Stability Constants of Metal Ion Complexes; Pergamon Press: Oxford, U.K., 1979, 1982; Parts A and B.
36. Critically Selected Stability Constants of Metal Complexes Database, version 7.0 for Windows; NIST Standard Reference Database 46; U.S. Department of Commerce, NIST: Gaithersburg, MD, 2003.
37. Stumm, W.; Morgan, J. J. Aquatic Chemistry, Wiley: New York, 1996.
38. Burgess, J. Metal Ions in Solution; Ellis Horwood: Chichester, U.K., 1978.
39. Wilkins, R. C. Kinetics and Mechanism of Reactions of Transition Metal Complexes, 2nd ed.; VCH: New York, 1991.
40. Basolo, F.; Pearson, R. G. Mechanisms of Inorganic Reactions. A Study of Metal Complexes in Solution; J. Wiley and Sons: New York, 1967.
41. Fuoss, R. M. Ion association. III The equilibrium between ion pairs and free ions. J. Am. Chem. Soc. 1958, 80, 5059-5061.
42. Zhou, G. Q.; Zhong, W. Z. Diffusion-controlled reactions of enzymes. A comparison between Chou's model and Alberty-Hammes-Eigen's model. Eur. J. Biochem. 1982, 128, 383-387.
43. van Leeuwen, H. P.; Town, R. M.; Buffle, J. Impact of ligand protonation on Eigen-type metal complexation kinetics in aqueous systems. J. Phys. Chem. 2007, 111, 2115-2121.
44. Lead, J. R.; Wilkinson, K. W.; Balnois, E.; Cutak, B. J.; Larive, C. R.; Assemi, S.; Beckett, R. Diffusion coefficients and polydispersities of Suwanee River fulvic acids: comparison of fluorescence correlation spectroscopy, pulse-field gradient nuclear magnetic resonance, and flow-field flow fractionation. Environ. Sci. Technol. 2000, 34, 3508-3513.
45. Buffle, J.; Wilkinson, K. W.; Stoll, S.; Filella, M.; Zhang, J. A generalized description of aquatic colloidal interactions: the three colloid component approach. Environ. Sci. Technol. 1998, 32, 2887-2899.
46. Varney, V. S.; Mantoura, R. F. C.; Whitfield, M.; Turner, D. M.; Riley, J. P. Potentiometric and conformational studies of the acid-base properties of fulvic acids from natural waters. In Trace Metals in Sea Waters; Wong, C. S., Boyle, E., Bruland, K. W., Burton, J. D., Goldberg, E. D., Eds.; Plenum Press: New York, 1983; p. 751.
47. Buffle, J.; Altmann, R. S.;, Filella, M.; Tessier, A. Complexation by natural heterogeneous compounds: Site occupation distribution function, a normalized description of mefal complexation. Geochim. Cosmochim. Acta 1990, 54, 1535-1553.
48. Buffle, J.; Altmann, R. S. Interpretation of metal complexation by heterogeneous complexants. In Aquatic Surface Chemistry, Stumm, W., Ed.; Wiley-Interscience: New York, 1987; Chapter 13.
49. Thurmann, E. M. Organic Geochemistry of Natural Waters; Kluwer: Dordrecht, The Netherlands, 1985.
50. Duval, J. F. L.; Wilkinson, K.; van Leeuwen, H. P.; Buffle, J. Humic substances are not hard spheres: permeability determinations from electrophoretic mobility measurements. Environ. Sci. Technol. 2005, 39, 6435-6445.
51. Cameron, R. S.; Thornton, B. K.; Swift, R. S.; Posner, A. M. Molecular weight and shape of humic acid from sedimentation and diffusion measurements on fractionated extracts. J. Soil Sci. 1972, 23, 394-408.
52. Leppard, G. G.; Buffle, J.; Baudat, R. A description of the aggregation properties of aquatic pedogenic fulvic acids. Combining physico-chemical data and microscopical observations. Water Res. 1986, 20, 185-196.
53. Senesi, N.; Chen, Y.; Schnitzer, M. In Soil Organic Matter Studies; IAEA: Vienna, Austria, 1977; Vol. 2, pp 143-155.
54. Pinheiro, J. P.; Mota, A. M.; Simoes Gonçalves, M. L. S.; van Leeuwen, H. P. The pH effect in the diffusion coefficient of humic matter: influence in speciation studies using voltammetric techniques. Colloids Surf. A 1998, 137, 165-170.
55. Lead, J. R.; Wilkinson, K. J.; Startchev, K.; Canonica, S.; Buffle, J. Determination of diffusion coefficients of humic substances by fluorescence correlation spectroscopy: role of solution conditions. Environ. Sci. Technol. 2000, 34, 1365-1369.
56. Lead, J. R.; Balnois, E.; Hosse, M.; Menghetti, R.; Wilkinson, K. W. Characterization of norvegian natural organic matter: size, diffusion coefficient and electrophoretic mobility. Environ. Int. 1999, 25, 245-258.
57. Buffle, J.; Greter, F.-L. Voltammetric study of humic and fulvic substances. II: Mechanism of reaction of the Pb-fulvic complexes on the mercury electrode. J. Electroanal. Chem. 1979, 101, 231-251.
58. Buffle, J.; Tessier, A.; Haerdi, W. Interpretation of trace metal complexation by aquatic organic matter. In Complexation of Trace Metals in Natural Waters; Kramer, C. J. M., Duinker, J. C., Eds.; Martinus Nijhoff/Dr. Junk W. Pubs.: The Hague, 1984; pp 301-316.
59. Pinheiro, J. P.; Mota, A. M.; Simoes-Gonçalves, M.-L. Complexation study of humic acids with cadmium(II) and lead(II). Anal. Chim. Acta 1994, 284, 525-537.
60. Kinniburgh, D. G.; van Riemsdijk, W. H.; Koopal, L. K.; Borkovec, M.; Benedetti, M. F.; Avena, M. J. Ion binding to natural organic matter: Competition, heterogeneity, stoichiometry and thermodynamic consistency. Colloids Surf. A. 1999, 151, 147-166.
61. Filella, M.; Town, R. M. Heterogeneity and lability of Pb(II)-complexation by humic substances: Practical interpretation tools. Fresenius J. Anal. Chem. 2001, 370, 413-418.
62. Buffle, J.; Altmann, R. S.; Filella, M. The effect of physico-chemical heterogeneity of natural complexants. Part II: The buffering action and role of their background sites. Anal. Chim.Acta 1990, 232, 225-237.
63. Marinsky, J. A.; Gupta, S.; Schindler, P. A unified physicochemical description of the equilibriums encountered in humic acid gels. J. Colloid Interface Sci. 1982, 89, 412-426.
64. Tipping, E. Humic ion binding model VI. An improved description of the interactions of protons and metal ions with humic substances. Aquat. Geochem. 1998, 4, 3-48.
65. Kinniburgh, D. G.; Milne, C. J.; Benedetti, M. F.; Pinheiro, J. P.; Filius, J.; Koopal, L. K.; Van Riemsdijk, W. H. Metal ion binding by humic acid: Application of the NICA-Donnan model. Envir. Sci. Technol. 1996, 30, 1687-1698.
66. Gamble, D. S.; Underdown, A. W.; Langford, C. H. Copper(II) titration of fulvic acid ligand sites with theoretical, Potentiometrie, and spectrophotometric analysis. Anal. Chem. 1980, 52, 1901-1908.
67. Altmann, R. S.; Buffle, J. The use of differential equilibrium functions for interpretation of metal binding in complex ligand systems: Its relation to site occupation and site affinity distribution. Geochim. Cosmochim. Acta 1988, 52, 1505-1519.
68. Buffle, J.; Filella, M.; Altmann, R. S. Polyfunctional description of metal complexation by natural organic matter: theory and practice. In Binding Models Concerning Natural Organic Substances in Performance Assessment, OECD Document S.301-12, Proceedings of a NEA workshop, Bad-Zurzach, CH, 14-16 Sept. 1994; OECD: Paris, 1995.
69. Buffle, J. Natural organic matter and metal-organic interactions in aquatic systems. In Metal Ions in Biological Systems: Circulation of Metals in the Environment; Sigel, H., Ed.; M. Dekker Inc.: New York, 1984; Chapter 6, Vol. 18, pp 165-221.
70. Town, R. M.; Filella, M. Crucial role of the detection window in metal ion speciation analysis in aquatic systems: The interpretation of thermodynamic and kinetic factors as exemplified by nickel and cobalt. Anal. Chim. Acta 2002, 466, 285-293.
71. Murray, K.; Linder, P. W. Fulvic acids: Structure and metal binding. II. Predominant metal binding sites. J. Soil Sci. 1984, 35, 217-222.
72. Sips, R. The structure of a catalyst surface. II. J. Chem. Phys. 1950, 18, 1024-1026.
73. Cleven, R. F. M. J.; van Leeuwen, H. P. Electrochemical analysis of the heavy metal/humic acid interaction. Int. J. Environ. Anal. Chem. 1986, 27, 11-28.
74. Hartley, F. R.; Burgess, C.; Alcock, R. Solution Equilibria; Ellis Horwood: Chichester, U.K., 1980.
75. Cassat, J. C.; Wilkins, R. G. The kinetics of reactions of Ni(II) ion with a variety of amino acids and pyridine-carboxylates. J. Am. Chem. Soc 1968, 90, 6045-6050.
76. Town, R. M.; Filella, M. Implications of natural organic matter binding heterogeneity on understanding Pb(II) complexation in aquatic systems. Sci. Tot. Environ. 2002, 300, 143-154.