Abstract
Binding of ions to various materials, such as small molecules, proteins, polymers, colloid particles, and membranes, represents a central theme in basic and applied chemistry. Particularly, the case of proton binding to these substances (i.e., their acid-base behavior) has been a focus of research in many branches of chemistry since the turn of the century. One important topic in physical, analytical, and inorganic chemistry is the measurement, compilation, and prediction of acid-base properties of simple molecules or solvated metal ions.(1–8) These topics remain of much relevance for the development of new analytical techniques and tailoring of buffering or complexing agents.(7,9) Accurately known ionization constants also represent a rather stringent testing ground of our ab initio simulation capabilities of simple molecules in water.(10) Acid-base properties of proteins have been also investigated from early on.(11–14) This field has now matured into an active area of modern biochemistry with implications to the current view of protein folding, enzyme action, and photosynthesis.(15–17) Similar studies of weak polyelectrolytes were initiated in polymer science almost simultaneously(18–21) These systems represent an ongoing challenge to our understanding of acid-base equilibria.(22–25) The substantial interest in polyelectrolytes is due to their use as complexing, flocculating, or stabilizing agents, and their importance in various applications in catalysis, material engineering, biochemistry, and water purification.(26–28)
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References
J. N. Brønsted, Z. Phys. Chem. 169A, 52 (1934).
N. Bjerrum, Z. Phys. Chem. 106, 219 (1923).
J. G. Kirkwood and F. H. Westheimer, J. Chem. Phys. 6, 506 (1938).
E. J. King, Acid-Base Equilibria, Pergamon Press, Oxford, 1965.
C. F. Baes and R. E. Mesmer, The Hydrolysis of Cations,John Wiley, New York, 1976.
D. D. Perrin, B. Dempsey, and E. P. Serjeant, pK a Prediction for Organic Acids and Bases, Chapman & Hall, London, 1981.
A. E. Martell and R. J. Motekaitis, The Determination and Use of Stability Constants, VCH Publishers, New York, 1988.
P. E. Smith and B. M. Pettitt, J. Phys. Chem. 98, 9700 (1994).
J. Aragó, A. Bencini, A. Bianchi, E. Garcia-Espaňa, M. Micheloni, P. Paoletti, J. A. Ramirez, and P. Paoli, Inorg. Chem. 30, 1843 (1991).
W. L. Jorgensen and J. M. Briggs, J. Am. Chem. Soc. 111, 4190 (1989).
J. G. Kirkwood, J. Chem. Phys. 7, 351 (1934).
K. Linderstrøm-Lang, C. R. Trav. Lab. Carlsberg 15, 1 (1924).
A. V. Hill, J. Physiol. (London) 40, iv (1910).
C. Tanford, Physical Chemistry of Macromolecules, John Wiley, New York, 1960.
S. J. Shire, G. I. H. Hanania, and F. R. N. Gurd, Biochemistry 13, 2967 (1974).
D. Bashford and M. Karplus, Biochemistry 29, 10219 (1990).
A. S. Yang, M. R. Gunner, R. Sampogna, K. Sharp, and B. Honig, Proteins 15, 252 (1993).
F. E. Harris and S. A. Rice, J. Phys. Chem. 58, 725 (1954).
R. A. Marcus, J. Phys. Chem. 58, 621 (1954).
S. Lifson, J. Chem. Phys. 26, 727 (1957).
A. Katchalsky, J. Mazur, and P. Spitnik, J. Polym. Sci. 23, 513 (1957).
D. Horn, in Polymeric Amines and Ammonium Salts, E. J. Goethals (ed.), Pergamon Press, Oxford, 1980.
T. Nishio, Biophys. Chem. 40, 19 (1991).
C. E. Reed and W. F. Reed, J. Chem. Phys. 96, 1609 (1992).
R. G. Smits, G. J. M. Koper, and M. Mandel, J. Phys. Chem. 97, 5745 (1993).
A. von Zelewsky, L. Barbosa, and C. W Schläpfer, Coord. Chem. Rev. 123, 229 (1993).
H. Dautzenberg, W. Jaeger, J. Kötz, B. Philipp, C. Seidel, and D. Stscherbina, Polyelectrolytes, Hanser Publishers, München, 1994.
J. M. Fréchet, Science 263, 1710 (1994).
W. Stumm, H. Hohl, and F. Dalang, Croat. Chem. Acta 48, 491 (1976).
W. Stumm and J. J. Morgan, Aquatic Chemistry, John Wiley, New York, 1981.
E. S. Daniels, E. D. Sudol, and M. S. El-Aasser, Polymer Latices: Preparation, Characterization and Applications, American Chemical Society, Washington, DC, 1992.
O. A. El Seoud, in Reverse Micelles, P. L. Luisi and B. E. Straub (eds.), Plenum Press, New York, 1984.
B. Lovelock, F. Grieser, and T. W. Healy, Langmuir 2, 443 (1986).
B. S. Murray, J. S. Gogfrey, F. Grieser, T. W. Healy, B. Lovelock, and P. J. Scales, Langmuir 7, 3057 (1991).
R. Andreu and W. R. Fawcett, J. Phys. Chem. 98 12753 (1994).
C. J. Drummond, F. Grieser, and T. W. Healy, Discuss. Faraday Soc. 81, 95 (1986).
C. J. Drummond, F. Grieser, and T. W. Healy, J. Phys. Chem. 92, 2604 (1988).
R. P. Bell, The Proton in Chemistry, Cornell University Press, Ithaca, New York, 1959.
D. A. Tomalia, H. Baker, J. Dewald, M. Hall, G. Kallos, S. Martin, J. Roeck, J. Ryder, and P. Smith, Polym.J. 17,117(1985).
T. Hiemstra, W. H. Riemsdijk, and G. H. Bolt, J. Colloid Interface Sci. 133, 91 (1989).
T. Hiemstra, J. C. M. de Wit, and W. H. Riemsdijk, J. Colloid Interface Sci. 133, 105 (1989).
H. R. Schulten and M. Schnitzer, Naturwissenschaften 80, 29 (1993).
L. Pauling, D. Pressman, and A. L. Grossberg, J. Am. Chem. Soc. 66, 784 (1944).
G. Scatchard, J. S. Coleman, and A. L. Shen, J. Am. Chem. Soc. 79, 12 (1957).
E. M. Perdue, J. H. Reuter, and R. S. Parrish, Geochim. Cosmochim. Acta 48, 1257 (1984).
B. Leuenberger and P. W. Schindler, Anal. Chem. 58, 1471 (1986).
M. Černík, M. Borkovec, and J. C. Westall, Environ. Sci. Technol. 29, 413 (1995).
P. W. Schindler and H. Gamsjäger, Kolloid-Z. Z. Polym. 250, 759 (1972).
D. E. Yates, S. Levine, and T. W Healy, Trans. Faraday Soc. 70, 1807 (1974).
T. W. Healy and L. R. White, Adv. Colloid Interface Sci. 9, 303 (1978).
J. Westall and H. Hohl, Adv. Colloid Interface Sci. 12, 265 (1980).
J. G. Kirkwood and J. B. Shumaker, Proc. Natl. Acad. Sci. U.S.A. 38, 855 (1952).
R. F. Steiner, J. Chem. Phys. 22, 1458 (1954).
T. L. Hill, J. Chem. Phys. 23, 623 (1955).
E. Ising, Z. Phys. 31, 253 (1925).
T. L. Hill, An Introduction to Statistical Thermodynamics, Dover Publ. Inc., New York, 1986.
T. L. Hill, Statistical Mechanics, McGraw-Hill, New York, 1956.
R. J. Baxter, Exactly Solved Models in Statistical Mechanics, Academic Press, New York, 1982.
D. Chandler, Introduction to Modern Statistical Mechanics, Oxford University Press, New York, 1987.
H. S. Robertson, Statistical Thermophysics, Prentice Hall, New Jersey, 1993.
C. Tanford and J. C. Kirkwood, J. Am. Chem. Soc. 79, 5333 (1957).
W. H. Ortung, Biochemistry 9, 2394 (1970).
C. Tanford and R. Roxby, Biochemistry 11, 2192 (1972).
M. K. Gilson and B. H. Honig, Proteins 3, 32 (1988).
P. Beroza, D. R. Fredkin, M. Y. Okamura, and G. Feher, Proc. Natl. Acad. Sci. U.S.A. 88, 5804 (1991).
B. Honig and A. Nicholls, Science 268, 1144 (1995).
D. Bashford and M. Karplus, J. Phys. Chem. 95, 9556 (1991).
T. Kesvatera, B. Jönsson, E. Thulin, and S. Linse, J. Mol Biol. 259, 828 (1996).
M. Borkovec, Langmuir 13, 2608 (1997).
M. Borkovec, J. Daicic, and G. J. M. Koper, Proc. Natl. Acad. Sci. U.S.A. 94, 3499 (1997).
T. Gisler, S. F. Schulz, M. Borkovec, P. Schurtenberger, B. D’Aguano, R. Klein, and H. Sticher, J. Chem. Phys. 101, 9924 (1994).
B. Jönsson, T. Åkesson, and C. E. Woodward, in Ordering and Phase Transitions in Charged Colloids, A. K. Arora and B. V. R. Tata (eds.), VCH Publishers, New York, 1996.
Y. M. Chernoberezhskii, in Surface and Colloid Science, Vol. 12, E. Matijevič (ed.), Plenum Press, New York, 1982.
H. S. Harned and B. B. Owen, Physical Chemistry of Electrolyte Solutions, Reinhold Publ. Corp., New York, 1958.
L. P. Hammett, Physical Organic Chemistry, McGraw-Hill, New York, 1940.
D. C. Harris, Quantitative Chemical Analysis, 5th ed., Freeman, New York, 1998.
H. Galster,pH Measurement, VCH, Weinheim, 1991.
R. G. Bates, Chem. Rev. 42, 1 (1948).
S. P. L. Sørensen, Biochem. Z. 21, 131 (1909).
F. E. Crane, J. Chem. Educ., 38, 365 (1961).
D. G. Kinniburgh, C. J. Milne, and P. Venema, Soil Sci. Soc. Am. J. 59, 417 (1995).
M. L. Macheski, D. J. Wesolowski, D. A. Palmer, and K. Ichiro-Hayashi, J. Colloid Interface Sci. 200, 298 (1998).
R. van Duijvenbode, M. Borkovec, and G. J. M. Koper, Polymer 39, 2657 (1997).
A. I. Vogel, A Text-Book of Quantitative Inorganic Analysis, 3rd ed., Longmans, London, 1961.
C. S. Bürgisser, A. M. Scheidegger, M. Borkovec, and H. Sticher, Langmuir 10, 855 (1994).
J. C. Eijkel, C. Bosch, W. Olthuis, and P. Bergvelt, J. Colloid Interface Sci. 187, 148 (1997).
T. R. Lee, R. I. Carey, H. A. Biebuyck, and G. M. Whitesides, Langmuir 10, 741 (1994).
S. R. Holmes-Farley, C. D. Bain, and G. M. Whitesides, Langmuir 4, 921 (1988).
R. C. Chatelier, C. J. Drummond, D. Y. C. Chan, Z. R. Vasic, T. R. Gegenbach, and H. J. Griesser, Langmuir 11, 4122 (1997).
R. C. Chatelier, A. M. Hodges, C. J. Drummond, D. Y. C. Chan, and H. J. Griesser, Langmuir 13, 3043 (1997).
E. McCaffertys and J. P. Wightman, J. Colloid Interface Sci. 194, 344 (1997).
S. W. An and R. K. Thomas, Langmuir 13, 6881 (1997).
M. Elimelech and C. R. O’Melia, Colloids Surf. 44, 165 (1990).
J. Stone-Masui and A. Watillon, J. Colloid Interface Sci. 52, 479 (1975).
R. O. James and G. A. Parks, in Surface and Colloid Science, Vol. 12, E. Matijevič (ed.), Plenum Press, New York, 1982.
R. O. James, J. A. Davis, and J. O. Leckie, J. Colloid Interface Sci. 65, 331 (1978).
J. P. H. Zwetsloot and J. C. Leyte, J. Colloid Interface Sci. 163, 362 (1994).
R. J. Hunter, Zeta Potential in Colloid Science, Academic Press, New York, 1981.
J. Lyklema, Fundamentals of Colloid and Interface Science, Vol. 2, Academic Press, New York, 1995.
G. H. Bolt, J. Phys. Chem. 61, 1166 (1957).
R. W. O’Brien and L. R. White, J. Chem. Soc., Faraday Trans. 2 77, 1607 (1978).
J. Kilstra, H. P. van Leeuwen, and J. Lyklema, J. Chem. Soc., Faraday Trans. 88,3441 (1992).
W. N. Rolands, R. W. O’Brien, R. J. Hunter, and V. Patrick, J. Colloid Interface Sci. 188, 325 (1997).
C. P. Schlichter, Principles of Magnetic Resonace, Springer, Berlin, 1980.
W. W. Paudler, Nuclear Magnetic Resonance, John Wiley, New York, 1987.
H. Güther, NMR Spectroscopy, Basic Principles, Concepts and Applications in Chemistry, John Wiley, New York, 1995.
P. Crews, J. Rodriguez, and M. Jaspars, Organic Structure Analysis, Oxford University Press, Oxford, 1998.
G. J. M. Koper, M. H. P. van Genderen, C. Elissen-Roman, M. W. P. L. Baars, E. J. Meier, and M. Borkovec, J. Am. Chem. Soc. 119, 6512 (1997).
T. Kesvatera, B. Jönsson, E. Thulin, and S. Linse, Proteins Struct. Func. Genet. 37, 106 (1999).
D. G. Gorenstein, Methods Enzymol. 177, 295 (1989).
K. Mernissi-Arifi, L. Schmitt, G. Schlewer, and B. Spiess, Anal. Chem. 67, 2567 (1995).
Y. Takeda, K. Samejima, K. Nagano, M. Watanabe, H. Sugeta, and Y. Kyogoku, Eur. J. Biochem. 130, 383 (1983).
W. Schaller and A. D. Robertson, Biochemistry 34, 4714 (1995).
M. Delfini, A. L. Segre, F. Conti, R. Barbucci, V. Barone, and P. Ferruti, J. Chem Soc, Perkin Trans. 2 900 (1980).
D. N. Hague and A. D. Moreton, J. Chem. Soc, Perkin. Trans. 2 265 (1994).
O. Zhang, E. K. Lewis, J. P. Olivier, and J. D. Forman-Kay, J. Biomolecular NMR 4, 845 (1994).
R. Richarz and K. Wütrich, Biochemistry 17, 2263 (1978).
Y. Oda, M. Yoshida, and S. Kanaya, J. Biol. Chem. 268, 88 (1993).
W. R. Baker and A. Kintanar, Arch. Biochem. Biophys. 327, 189 (1996).
M. D. Sørensen and J. J. Led, Biochemistry 33, 13727 (1994).
Y. Oda, T. Yamazaki, K. Nagayama, S. Kanaya, Y. Kuroda, and H. Nakamura, Biochemistry 33, 5275 (1994).
L. Braunschweiler and R. R. Ernst, J. Magn. Res. 53, 521 (1983).
G. Bodenhausen and D. J. Ruben, Chem. Phys. Lett. 69, 185 (1980).
M. Zhang, E. Thulin, and H. J. Vogel, J. Protein Chem. 13, 527 (1994).
J. L. Markley and W. M. Westler, Biochemistry 35, 11092 (1996).
F. Abildgaard, A. M. Munk-Jorgensen, J. J. Led, T. Christensen, E. B. Jensen, F. Junker, and H. Dalboge, Biochemistry 31, 8587 (1992).
J. Schleucher, M. Schwendinger, M. Sattler, P. Schmidt, O. Schedletsky, S. J. Glaser, O. W. Sorensen, and C. Griesinger, J. Biomolecular NMR 4, 301 (1994).
J. G. Petrov and D. Möbius, Langmuir 6, 746 (1990).
P. Fromherz and B. Masters, Biochim. Biophys. Acta 356, 270 (1974).
R. A. Hall, P. J. Thistlethwaite, F. Grieser, N. Kimizuka, and T. Kunitake, Langmuir 10, 3743 (1994).
J. G. Petrov, E. E. Polymeropoulos, and H. Möhwald, J. Phys. Chem. 100, 9860 (1996).
X. Zhao, S. Ong, H. Wang, and K. B. Eisenthal, Chem. Phys. Lett. 214, 203 (1993).
K. Nakamoto, Y. Morimoto, and A. E. Martell, J. Am. Chem. Soc. 85,309 (1963).
C. Contescu, V. Popa, and J. A. Schwarz, J. Colloid Interface Sci. 180, 149 (1996).
N. J. Harrick, Internal Reflection Spectroscopy, John Wiley, New York, 1967.
N. J. Harrick, Internal Reflection Spectroscopy, Review and Supplement, Harrick Scientific Corp., Ossining, New York, 1985.
S. J. Hug and B. Sulzberger, Langmuir 10,3587 (1994).
J. T. Edsall, R. B. Martin, and B. R. Hollingworth, Proc. Natl. Acad. Sci. U.S.A. 44,505 (1958).
Y. Nozaki and C. Tanford, J. Am. Chem. Soc. 89, 742 (1967).
F. Figueirido, G. S. Del Buono, and R. M. Levy, J. Phys. Chem. 100, 6389 (1996).
M. Kinoshita, S. Iba, and M. Harada, J. Chem. Phys. 105, 2487–2499.
H. Friedman, Ionic Solution Theory, Interscience, New York, 1962.
J. C. Rasaiah and H. L. Friedman, J. Chem. Phys. 48, 2742 (1968).
G. M. Torrie and J. P. Valleau, J. Phys. Chem. 86, 3251 (1982).
D. J. Tannor, B. Marten, R. Murphy, R. A. Friesner, D. Sitkoff, A. Nicholls, M. Ringnalda, W. A. Goddard III, and B. Honig, J. Am. Chem. Soc. 116, 11875 (1994).
J. L. Chen, L. Noodleman, D. A. Case, and D. Bashford, J. Chem. Phys. 98, 11059 (1994).
B. Rallies and R. Mitzner, J. Phys. Chem. B 101, 2959 (1997).
R. L. Cleland, Macromolecules 17, 634 (1984).
D. F. Evans and H. Wennerström, The Colloidal Domain, VCH, New York, 1994.
L. Kotin and M. Nagasawa, J. Chem. Phys. 36, 873 (1962).
J. Warwicker and H. C. Watson, J. Mol. Biol. 157, 671 (1982).
M. Ullner, B. Jönsson, and P. O. Widmark, J. Chem. Phys. 100, 3365 (1994).
J. de Groot, G. J. M. Koper, M. Borkovec, and J. de Bleijser, Macromolecules 31, 4182 (1998).
M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids, Oxford Science Publications, Oxford, 1991.
D. Frenkel and B. Smit, Understanding Molecular Simulation, from Algorithms to Applications, Academic Press, San Diego, 1996.
N. A. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. Teller, and E. Teller, J. Chem. Phys. 21, 1087 (1953).
J. N. Israelachvili, Intermolecular and Surface Forces, 2nd ed., Academic Press, London, 1991.
D. A. McQuarrie, Statistical Mechanics, Harper & Row, New York, 1976.
B. Jönsson, H. Wennerström, and B. Halle, J. Phys. Chem. 84, 2179 (1980).
J. D. Jackson, Classical Electrodynamics, 2nd ed., John Wiley, New York, 1975.
R. A. Marcus, J. Chem. Phys. 23, 1057 (1955).
Y. N. Vorobjev and H. A. Scheraga, J. Phys. Chem. 97, 4855 (1993).
H. X. Zhou, J. Chem. Phys. 100, 3152 (1994).
K. A. Sharp and B. Honig, J. Phys. Chem. 94, 7684 (1990).
B. Beresford-Smith, D. Y. C. Chan, and D. J. Mitchell, J. Colloid Interface Sci. 105, 216 (1986).
C. E. Woodward and B. Jönsson, J. Phys. Chem. 92, 2000 (1988).
R. D. Groot, J. Chem. Phys. 95, 9191–9203.
R. Kjellander, J. Chem. Phys. 99, 10392 (1995).
L. Guldbrand, B. Jönsson, H. Wennerström, and P. Linse, J. Chem. Phys. 80, 2221 (1984).
J. C. Rasaiah and H. L. Friedman, J. Chem. Phys. 50, 3965 (1969).
D. N. Card and J. P. Valleau, J. Chem. Phys. 52, 6232 (1970).
C. N. Patra and S. K. Ghosh, J. Chem. Phys. 100, 5219 (1994).
S. Nordholm and A. D. J. Haymet, Aust. J. Chem. 33, 2013 (1980).
S. Nordholm, Chem. Phys. Lett. 105, 302 (1984).
B. R. Svensson, B. Jönsson, M. Fushiki, and S. Linse, J. Phys. Chem. 96, 3135 (1992).
R. Kjellander, J. Phys. Chem. 99, 10392 (1995).
J. C. Rassiah, J. Chem. Phys. 52, 704 (1970).
J. P. Valleau and L. K. Cohen, J. Chem. Phys. 72, 5935 (1980).
K. S. Pitzer, Ace. Chem. Res. 10, 371 (1977).
K. S. Pitzer, in Activity Coefficients in Electrolyte Solutions, R. M. Pytkowitz (ed.), CRC Press, Boca Raton, 1979.
P. Richmond, J. Chem. Soc, Faraday Trans. 2 70, 1067 (1974).
M. Medina-Noyola and B. I. Ivlev, Phys. Rev. E 52, 6281 (1995).
F. H. Stillinger, J. Chem. Phys. 35, 1584 (1961).
J. W. Adamson, Physical Chemistry of Surfaces, 5th ed., John Wiley, New York, 1990.
S. J. Miklavic, J. Chem. Phys. 103, 4794 (1995).
B. Honig, K. Sharp, and A.-S. Yang, J. Phys. Chem. 97, 1101 (1995).
M. Dubois, T. Zemb, L. Belloni, A. Deville, P. Levitz, and R. Setton, J. Chem. Phys. 96, 2277 (1992).
R. Kjellander and S. Marcelja, J. Chem. Phys. 82, 2122 (1985).
R. Kjellander, T. Åkesson, B. Jönsson, and S. Marcelja, J. Chem Phys. 97, 1424 (1985).
H. Greberg, R. Kjellander, and T. Åkesson, Mol. Phys. 87, 407 (1996).
A. Kitao, F. Hirata, and N. Go, J. Phys. Chem. 97, 10231 (1993).
M. Ullner, C. E. Woodward, and B. Jönsson, J. Chem. Phys. 105, 2056 (1996).
B. R. Brooks, R. E. Bruccoleri, B. D. Olafson, D. J. States, S. Swaminathan, and M. Karplus, J. Comput. Chem. 4, 187 (1983).
A. D. Mackerell, J. Wiorkiewicz, and M. Karplus, J. Am. Chem. Soc. 117 11946 (1995).
P. Flory, Statistical Mechanics of Chain Molecules, Interscience, New York, 1969.
B. Widom, J. Chem. Phys. 39, 2808 (1963).
B. Svensson, T. Åkesson, and C. E. Woodward, J. Chem. Phys. 95, 2717 (1991).
Y. Zhou, J. Phys. Chem. B 102, 10615 (1998).
B. Noszál, in Biocoordination Chemistry, K. Burger (ed.), Ellis Horwood, New York, 1990.
J. Wyman, J. Mol. Biol. 11, 631 (1965).
H. S. Simms, J. Am. Chem. Soc. 48, 1239 (1926).
M. Borkovec and G. J. M. Koper, J. Phys. Chem. 98, 6038 (1994).
M. Ullner and B. Jönsson, Macromolecules 29, 6645 (1996).
L. J. Henderson, Am. J. Physiol. 21, 427 (1908).
K. A. Hasselbalch, Biochem. Z. 78, 112 (1916).
J. March, Advanced Organic Chemistry, McGraw-Hill, New York, 1977.
D. D. Perrin, Dissociation Constants of Organic Bases in Aqueous Solutions, Butterworth, London, 1965.
D. D. Perrin, Dissociation Constants of Organic Bases in Aqueous Solutions, Supplement 1972, Butterworth, London, 1972.
D. D. Perrin, Dissociation Constants of Inorganic Acids and Bases in Aqueous Solutions, Butterworth, London, 1969.
E. P. Serjeant and B. Dempsey, Dissociation Constants of Organic Acids in Aqueous Solutions, Pergamon Press, Oxford, 1979.
R. M. Smith and A. E. Martell, NIST Critically Selected Stability Constants of Metal Complexes Database, Version 5.0,U.S.Department of Commerce, Gaithersburg, 1998.
R. M. Smith and A. E. Martell, Critical Stability Constants, Vol. 6, Plenum Press, New York, 1989.
R. M. Smith and A. E. Martell, Critical Stability Constants, Vol. 5, Plenum Press, New York, 1986.
I. Brandariz, F. Arce, X. L. Armesto, F. Penedo, and M. S. de Vicente, Monatsh. Chem. 124, 249 (1993).
A. Albert and E. P. Serjeant, Determination of Ionization Constants, 2nd ed., Chapman and Hall, London,1971.
T. Ishimitsu, S. Hirose, and H. Sakurai, Talanta 24, 555 (1977).
D. Signer and K. A. Dill, J. Phys. Chem. 93, 6737 (1989).
D. L. Hunston, Anal. Biochem. 63, 99 (1975).
C. Contescu, J. Jaginello, and J. A. Schwarz, Langmuir 9, 1754 (1993).
R. J. Sips, J. Chem. Phys. 16, 490 (1948).
C. J. F. Bötcher and P. Bordewijk, Theory of Electric Polarization, 2nd ed., Vol. II, Elsevier Scientific, Amsterdam, 1978.
M. Borkovec and G. J. M. Koper, Langmuir 10, 2863 (1994).
G. J. M. Koper and M. Borkovec, J. Chem. Phys. 104, 4204 (1995).
S. W. Provencher, Comput. Phys. Commun. 27, 213 (1982).
B. A. Dempsey and C. R. O’Melia, in Aquatic and Terrestrial Humic Materials, R. F. Christman and E. T. Gjissing (eds.), Ann Arbor Science, Ann Arbor, 1983.
M. Borkovec, U. Rusch, M. Černík, G. J. M. Koper, and J. C. Westall, Colloids Surf. A 107, 285 (1996).
J. C. M. De Wit, W. H. Riemsdijk, M. M. Nederlof, D. G. Kinniburgh, and L. K. Koopal, Anal. Chim. Acta 232, 189(1990).
D. G. Kinniburgh, W. H. van Riemsdijk, L. K. Koopal, M. Borkovec, M. H. Benedetti, and M. J. Avena, Colloids Surf. A 151, 147 (1999).
S. W. Karickhoff, V K. McDaniel, C. Melton, A. N. Vellino, D. E. Nute, and L. Camera, Environ. Toxicol. Chem. 10, 1405 (1991).
I. D. Brown, Structure and Bonding 2, 1 (1981).
A. Kossiakoff and D. Harker, J. Am. Chem. Soc. 60, 2047 (1938).
J. E. Ricci, J. Am. Chem. Soc. 70, 109 (1948).
W. L. Bleam, J. Colloid Interface Sci. 159, 312 (1993).
I. D. Brown, Phys. Chem. Minerals 15, 30 (1987).
J. Sauer and R. Ahlrichs, J. Chem. Phys. 93, 2575 (1990).
P. Nagy, K. Novak, and G. Szasz, J. Mol. Struct. 201, 257 (1989).
T. Brinck, J. S. Murray, and P. Politzer, J. Org. Chem. 56, 5012 (1991).
J. R. Rustad, B. P. Hay, and J. W. Halley, J. Chem. Phys. 102, 427 (1995).
K. H. Kim and Y C. Martin, J. Med. Chem. 34, 2056 (1991).
M. J. Potter, M. K. Gilson, and J. A. McCammon, J. Am. Chem. Soc. 116, 10298 (1994).
F. H. Westheimer and J. G. Kirkwood, J. Chem. Phys. 6, 513 (1938).
F. H. Westheimer and M. W. Shookhoff, J. Am. Chem. Soc. 61, 555 (1939).
E. Rajasekaran, B. Jayaram, and B. Honig, J. Am. Chem. Soc. 116, 8238 (1994).
B. Noszál and P. Sándor, Anal. Chem. 61, 2631 (1989).
C. Tanford and J. D. Hauenstein, J. Am. Chem. Soc. 78, 5287.
C. Tanford, J. D. Hauenstein, and D. G. Rands, J. Am. Chem. Soc. 77, 6409 (1955).
F. C. Kokesh and F. H. Westheimer, J. Am. Chem. Soc. 93, 7270 (1971).
K. Bartik, C. Redfield, and C. M. Dobson, Biophys. J. 66, 1180 (1994).
M. Inoue, H. Yamada, T. Yasukochi, R. Kuroki, T. Miki, T. Horiuchi, and T. Imoto, Biochemistry 31, 5545 (1992).
W. R. Forsyth, M. K. Gilson, J. Antosiewicz, O. R. Jaren, and A. D. Robertson, Biochemistry 37, 8643 (1998).
M. E. Huque and H. J. Vogel, J. Protein Chem. 12, 695 (1993).
S. D. Lewis, F. A. Johnson, and J. A. Shafer, Biochemistry 20,48 (1981).
J. D. Forman-Kay, G. M. Clore, and A. M. Gronenborn, Biochemistry 31,3442 (1992).
N. A. Wilson, E. Barbar, J. A. Fuchs, and C. Woodward, Biochemistry 34, 8932 (1995).
M. F. Jeng, A. Holmgren, and H. J. Dyson, Biochemistry 34, 10101 (1995).
J. Qin, G. M. Clore, and A. M. Gronenborn, Biochemistry 35,7 (1996).
L. P. Mcintosh, G. Hand, P. E. Johnson, M. D. Joshi, M. Körner, L. A. Plesniak, L. Ziser, W. W. Wakarchuk, and S. G. Withers, Biochemistry 35, 9958 (1996).
T. P. O’Connell and J. P. G. Malthouse, Biochem. J. 317, 35 (1996).
M. Oliveberg, V. L. Arcus, and A. R. Fersht, Biochemistry 34, 9424 (1995).
J. Antosiewicz, J. A. McCammon, and M. K. Gilson, J. Mol. Biol. 238, 415 (1994).
A. H. Juffer, Biochem. Cell Biol. 76, 198 (1998).
M. K. Gilson, Curr.Opinion Struct. Biol. 5, 216 (1995).
J. Antosiewicz, J. A. McCammon, and M. K. Gilson, Biochemistry 35, 7819 (1996).
D. M. Burley, in Phase Transitions and Critical Phenomena, Vol. 2, C. Domb and M. S. Green (eds.), Academic Press, New York, 1975, p. 329.
M. K. Gilson, Proteins 15, 266 (1993).
M. Fernádez and P. Fromherz, J. Phys. Chem. 81, 1755 (1977).
D. Bashford, M. Karplus, and G. W. Canters, J. Mol. Biol. 203, 507 (1988).
L. Sandberg and O. Edholm, Biophys. Chem. 65, 189 (1997).
P. Beroza and D. A. Case, J. Phys. Chem. 100, 20156 (1996).
Y. Y Sham, Z. T. Chu, and A. Warshel, J. Phys. Chem. 101, 4458 (1997).
M. Schaefer, M. Sommer, and M. Karplus, J. Phys. Chem. B 101, 1663 (1997).
A. H. Juffer, P. Argos, and H. J. Vogel, J. Phys. Chem. 101, 7664 (1997).
A. Warshel and J. Åqvist, Annu. Rev. Biophys. Biophys. Chem. 20, 267 (1991).
A. Warshel, S. T. Russel, and A. K. Churg, Proc. Natl. Acad. Sci. U.S.A. 81, 4785 (1984).
T. Kesvatera, B. Jönsson, E. Thulin, and S. Linse, Biochemistry 33, 14170 (1994).
G. King, F. S. Lee, and A. Warshel, J. Chem. Phys. 95, 4366 (1991).
T. Simonson and D. Perahia, J. Am. Chem. Soc. 117, 7987 (1995).
T. Simonson and C. L. Brooks III, J. Am. Chem. Soc. 118, 8452 (1996).
G. Löffler, H. Schreiber, and O. Steinhauser, J. Mol. Biol. 270, 520 (1997).
M. K. Gilson, A. Rashin, R. Fine, and B. Honig, J. Mol. Biol. 183, 503 (1985).
M. Fushiki, B. Svensson, B. Jönsson, and C. E. Woodward, Biopolymers 31, 1149 (1991).
J. Warwicker, J. Mol. Biol. 236, 887 (1994).
A.-S. Yang and B. Honig, J. Mol. Biol. 231, 459 (1993).
S. Kuramitsu and K. Hamaguchi, J. Biochem. 87, 1215 (1980).
M. Rico, J. Santoro J., C. Gonzales, M. Bruix, and J. L. Neira, in Structure, Mechanism and Function of Ribonucleases, C. M. Cuchillo, R. de Llorens, M. V. Nogués, and X. Parés (eds.), Departament de Bioquímica i Biologia Molecular, Universita Autònoma di Barcelona, Bellaterra, Spain, 1991.
T. J. You and D. Bashford, Biophys. J. 69, 1721 (1995).
B. R. Svensson, B. Jönsson, C. E. Woodward, and S. Linse, Biochemistry 30, 5209 (1991).
M. Ullner, B. Jönsson, B. Söderberg, and C. Peterson, J. Chem. Phys. 105, 2056 (1996).
F L. B. daSilva, B. Svensson, T. Åkesson, and B. Jönsson, J. Chem. Phys. 109, 2624 (1998).
M. K. Gilson and B. H. Honig, Nature 330, 84 (1987).
C. M. Groeneveld, M. C. Ouwerling, C. Erkelens, and G. W. Canters, J. Mol. Biol. 200, 189 (1988).
A. H. Juffer, E. F. F. Botta, B. A. M. van Keulen, A. van der Ploeg, and H. J. C. Berendsen, J. Comput. Phys. 97, 144 (1991).
B. Svensson and B. Jönsson, J. Comput. Chem. 16,370 (1995).
C. N. Pace, D. V. Laurents, and J. A. Thompson, Biochemistry 29,2564 (1990).
T. E. Creighton, Proteins,Freeman, New York, 1984.
C. R. Matthews, Annu. Rev. Biochem. 62, 653 (1993).
J. M. Dabora, J. G. Pelton, and S. Marqusee, Biochemistry 35, 11951 (1996).
M. Nagasawa and A. Holtzer, J. Am. Chem. Soc. 86, 531 (1964).
M. Mandel, Eur. Polym. J. 6, 807 (1970).
T. Kitano, S. Kawaguchi, K. Ito, and A. Minakata, Macromolecules 20, 1598 (1987).
T. L. Hill, Arch. Biochem. Biophys. 57, 229 (1955).
M. Borkovec and G. J. M. Koper, Macromolecules 30, 2158 (1997).
D. Soumpasis, J. Chem. Phys. 69, 3190 (1978).
G. S. Manning, J. Phys. Chem. 85, 870 (1981).
R. L. Cleland, J. L. Wang, and D. M. Detweiler, Macromolecules 17, 634 (1984).
A. P. Sassi, S. Beltrán, H. H. Hooper, H. W. Blanch, J. Prausnitz, and R. A. Siegel, J. Chem. Phys. 97, 8767 (1992).
N. Madras and A. D. Sokal, J. Stat. Phys. 50, 109 (1988).
P. Flory, Principles of Polymer Chemistry, Cornell University Press, Ithaca, 1992.
M. Ullner, B. Jönsson, B. Söderberg, and C. Peterson, J. Chem. Phys. 104, 3048 (1996).
P. G. de Gennes, P. Pincus, R. M. Velasco, and F Brochard, J. Phys. 37, 1461 (1976).
P. G. de Gennes, Scaling Concepts in Polymer Physics, Cornell University Press, Ithaca, 1979.
M. Borkovec and G. J. M. Koper, Prog. Colloid Polym. Sci. 109, 142 (1998).
B. C. Bonekamp, Colloids Surf. 41, 267 (1989).
J. B. Baliff, C. Lerf, and C. W. Schläpfer, Chimia 48, 336 (1994).
R. L. Cleland, J. L. Wang, and D. M. Detweiler, Macromolecules 15,386 (1982).
S. Nilsson and W. Zhang, Macromolecules 23, 5234 (1990).
D. S. Olander and A. Holtzer, J. Am. Chem. Soc. 90,4549 (1968).
Y. Muroga, K. Suzuki, Y. Kawaguchi, and M. Nagasawa, Biopolymers 11, 137 (1972).
Y. Kawaguchi and M. Nagasawa, J. Phys. Chem. 73, 4382 (1969).
M. Nagasawa, T. Murase, and K. Kondo, J. Phys. Chem. 69, 4005 (1965).
A. Katchalsky, J. Polym. Sci. 7, 393 (1951).
F. Oosawa, Poly electrolytes, Marcel Dekker, New York, 1971.
J. de Groot, J. G. Hollander, and J. de Bleijser, Macromolecules 30, 6884 (1997).
X. Wang, T. Komoto, I. Ando, and T. Otsu, Macromol Chem. 189, 1845 (1988).
J. B. Christensen, E. Tipping, D. G. Kinniburgh, C. Gron, and T. H. Christensen, Environ. Sci. Technol. 32, 3346 (1998).
M. J. Avena, L. K. Koopal, and W. H. van Riemsdijk, J. Colloid Interface Sci. 217, 37 (1999).
J. Westall, in Geochemical Processes at Mineral Surfaces,J. A. Davis and K. F. Hayes (eds.), American Chemical Society, Washington, DC, 1986.
J. Sonnefeld, J. Colloid Interface Sci. 155, 191 (1993).
H. Ohshima, W. T. Healy, and L. R. White, J. Colloid Interface Sci. 90, 17 (1982).
T. Hiemstra and W. H. van Riemsdijk, Colloids Surf. 59, 7 (1991).
J. R. Bargar, S. N. Towle, G. E. Brown Jr., and G. A. Parks, J. Colloid Interface Sci. 185, 473 (1997).
M. Schudel, H. Behrens, H. Holthoff, R. Kretschmar, and M. Borkovec, J. Colloid Interface Sci. 196, 241 (1997).
T. Hiemstra, P. Venema, and W. H. van Riemsdijk, J. Colloid Interface Sci. 184, 680 (1996).
J. A. Davis, R. A. James, and J. O. Leckie, J. Colloid Interface Sci. 63, 480 (1978).
T. Hiemstra and W H. van Riemsdijk, J. Colloid Interface Sci. 179, 488 (1996).
R. Charmas and W. Piasecki, Langmuir 12, 5458 (1996).
R. Charmas, W. Piasecki, and W. Rudzinski, Langmuir 11, 3199 (1995).
S. Levine, J. Colloid Interface Sci. 37, 619 (1971).
M. T. M. Koper, J. Electroanal. Chem. 450, 189 (1998).
K. Binder and D. P. Landau, Adv. Chem. Phys. 76, 91 (1989).
B. Dunweg, A. Michev, and P. A. Rikvold, J. Chem. Phys. 94, 3958 (1991).
I. Jager, Surface Sci. 254, 300 (1991).
C. A. Barlow and J. R. Macdonald, Adv. Electrochem. Electrochem. Eng. 6, 1 (1967).
D. A. Sverjensky, Geochim. Cosmochim. Acta 58, 3133 (1994).
F. J. Hingston, A. M. Posner, and J. P. Quirk, J. Soil Sci. 23, 177 (1972).
K. Pulver, P. W. Schindler, J. C. Westall, and R. Grauer, J. Colloid Interface Sci. 101, 554 (1984).
C. Ludwig and P. W. Schindler, J. Colloid Interface Sci. 169, 284 (1995).
J. Liitzenkirchen, Environ. Sci. Technol 32, 3149 (1998).
I. H. Harding and T. W. Healy, J. Colloid Interface Sci. 107, 382 (1985).
V. E. Shubin, I. V. Isakova, M. P. Sidorova, A. Y. Men’shikova, and T. G. Evseeva, Kolloidn. Zh. 52, 935 (1990).
S. H. Behrens, D. I. Christl, R. Emmerzael, P. Schurtenberger, and M. Borkovec, Langmuir 16, 2566 (2000).
A. S. Russel, P. J. Scales, C. S. Mangelsdorf, and L. R. White, Langmuir 11, 1112 (1995).
V. E. Shubin, R. J. Hunter, and R. W. O’Brien, J. Colloid Interface Sci. 159, 174 (1993).
M. R. Gittings and D. A. Saville, J. Colloid Interface Sci. 11, 798 (1995).
M. Abe, A. Kuwabara, K. Yoshihara, K. Ogino, M. J. Kim, T. Kondo, and H. Ohshima, J. Phys. Chem. 98, 2991 (1994).
T. D. Evans, J. R. Leal, and P. W. Arnold, J. Electroanal. Chem. 105, 161 (1979).
D. A. Sverjensky and N. Sahai, Geochim. Cosmochim. Acta 60, 3773 (1996).
P. Venema, T. Hiemstra, P. G. Weidler, and W. H. van Riemsdijk, J. Colloid Interface Sci. 198, 282 (1998).
C. Contescu, A. Contescu, and J. A. Schwarz, J. Phys. Chem. 98, 4327 (1994).
J. Lyklema, G. J. Fokkink, and A. de Keizer, Prog. Colloid Polym. Sci. 83, 46 (1990).
A. de Keizer, L. G. J. Fokkink, and J. Lyklema, Colloids Surf. 49, 149 (1990).
L. G. J. Fokkink, A. de Keizer, and J. Lyklema, J. Colloid Interface Sci. 127, 116 (1989).
W. Rudzinski, R. Charmas, and S. Partyka, Colloids Surf. A 70, 111 (1993).
J. R. Rustad, A. R. Felmy, and B. P. Hay, Geochim. Cosmochim. Acta 60, 1563 (1996).
H. Kawakami and S. Yoshida, J. Chem. Soc, Faraday Trans. 2 80, 921 (1984).
D. G. Hall, Langmuir 13, 91 (1997).
M. Blesa, A. G. J. Maroto, and A. E. Regazzoni, J. Colloid Interface Sci. 140, 287 (1990).
V. E. Heinrich, Prog. Surf. Sci. 14, 175 (1983).
J. B. Peri and A. L. Hensley, J. Phys. Chem. 70, 2926 (1968).
J. B. Peri, J. Phys. Chem. 69, 220 (1965).
H. Knözinger and P. Ratnasamy, Catal. Rev. Sci. Eng. 17, 31 (1978).
V. Barrón and J. Torrent, J. Colloid Interface Sci. 177, 407 (1996).
R. H. Yoon, T. Salman, and G. Donnay, J. Colloid Interface Sci. 70, 483 (1979).
R. J. Atkinson, A. M. Posner, and J. P. Quirk, J. Phys. Chem. 71, 550 (1967).
L. Sigg and W. Stumm, Colloids Surf. 2, 101 (1981).
W. A. Zeltner and M. A. Anderson, Langmuir 4, 469 (1988).
P. G. Weidler, S. J. Hug, T. P. Wetche, and T. Hiemstra, Geochim. Cosmochim. Acta 62, 3407 (1998).
G. A. Parks and P. L. de Bruyn, J. Phys. Chem. 66, 967 (1962).
P. Hesleiter, D. Babic, N. Kallay, and E. Matijevič, Langmuir 3, 815 (1987).
N. H. G. Penners, L. K. Koopal, and J. Lyklema, Colloids Surf. 21, 457 (1986).
A. W. M. Gibb and L. K. Koopal, J. Colloid Interface Sci. 134, 122 (1990).
T. Hiemstra, H. Yong, and W. H. van Riemsdijk, Langmuir 15, 5942 (1999).
M. J. G. Janssen and H. N. Stein, J. Colloid Interface Sci. 109, 508 (1986).
M. J. G. Janssen and H. N. Stein, J. Colloid Interface Sci. 111, 112 (1986).
Y. G. Bérubeé and P. L. de Bruyn, J. Colloid Interface Sci. 27, 305 (1968).
R. Sprycha, J. Colloid Interface Sci. 102, 173 (1984).
L. Bousse, N. F. De Rooij, and P. Bergfeld, Surf. Sci. 135, 479 (1983).
T. Hiemstra, W. H. van Riemsdijk, and M. G. M. Bruggenwert, Neth. J. Agric. Sci. 35, 281 (1987).
T. Hiemstra and W. H. van Riemsdijk, Langmuir 15, 8045 (1999).
R. P. Abendroth, J. Colloid Interface Sci. 34, 591.
G. Vigil, Z. Xu, S. Steinberg, and J. Israelachvili, J. Colloid Interface Sci. 165, 367 (1996).
T. F. Tadros and J. Lyklema, J. Electroanal Chem. 17, 267 (1968).
B. N. J. Persson, Surf, Sci. 258, 451 (1991).
K. Binder and A. P. Young, Rev. Mod. Phys. 58, 801 (1986).
L. Onsager, Phys. Rev. 65, 117 (1944).
X. N. Wu and F. Y. Wu, Phys. Lett. 144, 123 (1990).
M. Suzuki, C. Kawabata, S. Ono, Y Karaki, and M. Ikeda, J. Phys. Soc. Jpn. 29, 837 (1970).
W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes, Cambridge University Press, Cambridge, 1992.
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Borkovec, M., Jönsson, B., Koper, G.J.M. (2001). Ionization Processes and Proton Binding in Polyprotic Systems: Small Molecules, Proteins, Interfaces, and Polyelectrolytes. In: Matijević, E. (eds) Surface and Colloid Science. Surface and Colloid Science, vol 16. Springer, Boston, MA. https://doi.org/10.1007/978-1-4615-1223-3_2
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