Estimation of microscopic, zwitterionic ionization constants, isoelectric point and molecular speciation of organic compounds

Talanta

Volumn 50, Issue 4, 1999, Pages 827-840

  Hilal, S H ^a   Karickhoff, S W ^a   Carreira, L A ^b  

^a U S ENVIRONMENTAL PROTECTION AGENCY   (United States)

^b UNIVERSITY OF GEORGIA   (United States)

Author keywords

Ionization equilibrium constant; Microscopic ionization constants; PH; PK(a); SAR; SPARC; Speciation; Zwitterionic equilibria

Indexed keywords

AMPHOLYTE; ORGANIC COMPOUND;

CHEMICAL REACTION; CONFERENCE PAPER; ELECTRICITY; IONIZATION; ISOELECTRIC POINT; MOLECULAR DYNAMICS; PH; STEREOCHEMISTRY; THERMODYNAMICS; TITRIMETRY;

EID: 0033571681     PISSN: 00399140     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0039-9140(99)00157-5     Document Type: Conference Paper

References (28)

1. Martell A.E., Motekaities R.J. The Determination and Use of Stability Constants. 1988;VCH, Weinheim.
2. Benesch R.E., Benesch R. J. Am. Chem. Soc. 5877:1955;77.
3. Grafius M.A., Neilands J.B. J. Am. Chem. Soc. 3389:1955;77.
4. Martin R.B. J. Phys. Chem. 2657:1971;75.
5. Hilal S.H., El-Shabrawy Y., Carreira L.A., Karickhoff S.W., Toubar S.S., Rizk M. Talanta. 607:1996;43.
6. Hilal S.H., Carreira L.A., Melton C.M., Baughman G.L., Karickhoff S.W. J. Phys. Org. Chem. 122:1994;7.
7. Hilal S.H., Carreira L.A., Karickhoff S.W. Quant. Struct.-Act. Relatsh. 14:1995;345.
8. Hilal S.H., Carreira L.A., Karickhoff S.W. Polizer P., Murray J.S. Theoretical and Computational Chemistry: Quantitative Treatment of Solute/Solvent Interactions. 1:1994;Elsevier, Amsterdam.
9. Dewar M.J.S., Dougherty R.C. The PMO Theory of Organic Chemistry. 1975;Plenum Press, New York.
10. Hilal S.H., Carreira L.A., Melton C.M., Karickhoff S.W. Quant. Struct.-Act. Relatsh. 12:1993;389.
11. Hilal S.H., Carreira L.A., Melton C., Karickhoff S.W. J. Chromatogr. 662:1994;269.
12. Hilal S.H., Carreira L.A., Melton C.M., Karickhoff S.W. Proc. Solute/Solvent Interact. 257:1992.
13. Hilal S.H., Carreira L.A., Karickhoff, S.W. (in preparation).
14. Martin R.B., Edsall J.T., Wetlaufer D.B., Hollingworth B.R. J. Biol. Chem. 1429:1958;233.
15. Haberfield P. J. Chem. Educ. 346:1980;57.
16. Bryson A., Davies N.R., Serjeant E.P. J. Am. Chem. Soc. 1933:1963;85.
17. van de Graf B., Hoefnagel A.J., Wepster B.M. J. Org. Chem. 653:1981;46.
18. Albert A., Serjeant E.P. The Determination of Ionization Constants. 3rd ed. 1984;Chapman and Hall, New York.
19. Green R.W., Tong H.K. J. Am. Chem. Soc. 4896:1956;78.
20. Skorey K.I., Brownm R.S. J. Am. Chem. Soc. 4070:1985;107.
21. Barlow R.B. J. Pharmacol. 503:1982;75.
22. Edsall J.T., Wyman J. Biophysical Chemistry. 1:1958;Academic Press, New York.
23. Hill T.L. J. Phys. Chem. 101:1944;48.
24. Neuberger A. Biochem. J. 2085:1936;30.
25. Griffith R. Jr., Pillai L., Greenberg M.S. J. Solut. Chem. 601:1979;8.
26. Perrin D.D. Dissociation Constants of Organic Bases in Aqueous Solution. 1965;Butterworth, London.
27. Howard-Lock H.E., Lock C.J.L., Martinsm M.L. Can. J. Chem. 1721:1991;69.
28. Takacs-Novak K., Avdeef A., Box K.J., Podanyi B., Szasz G. J. Pharm. Biomed. Anal. 12:1994;1369.