Advertisement

Prediction of Physicochemical Properties Using a Semi-Empirical Group Contribution Approach

  • J. Howard Rytting
Conference paper
  • 162 Downloads

Abstract

Considerable effort has been directed in the past toward understanding the relationship between molecular structure and the distribution-transport characteristics of chemicals and drugs. Although distribution is an equilibrium process and transport is a rate process, transport is subject to distribution for all passive diffusion processes and for most active transport phenomena in their presaturation phase. For example, a substantial portion of drug absorption involves partitioning into the rate-controlling membrane. The lipophilic-hydrophilic balance of ophthalmic drugs, for instance, largely determines their transcorneal absorption rate. Similarly, the rate of GI absorption of passively absorbed drugs usually depends on their ability to partition into the rate-determining barrier membrane. This condition is also true for dermal agents.

Keywords

Entropy Change Carbon Number Group Contribution Regular Solution Theory Free Energy Model 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    I. Langmuir, Colloid Symp. Monogr., 3, 48 (1925).Google Scholar
  2. 2.
    J.A.V. Butler, D. W. Thomson, and W. H. Maclennan, J. Chem. Soc., 1933, 674.Google Scholar
  3. 3.
    J. A. V. Butler and P. Harrower, Trans. Faraday Soc., 33, 171 (1537).CrossRefGoogle Scholar
  4. 4.
    S.S. Davis, T. Higuchi and J. H. Rytting, in “Advances in Pharmaceutical Sciences,” vol. 4, H. S. Bean, A. H. Beckett and J. E. Carless, Eds., Academic, London, England, 1974, pp. 73–261.Google Scholar
  5. 5.
    M. J. Harris, T. Higuchi and J. H. Rytting, J. Phys. Chem., 77, 2694 (1973).CrossRefGoogle Scholar
  6. 6.
    J. H. Rytting, L. P. Huston, and T. Higuchi, J. Pharm. Sci., 67, 615 (1978).CrossRefGoogle Scholar
  7. 7.
    J. J. van Laar, Z. Phys. Chem., 72, 723 (1910).Google Scholar
  8. 8.
    F. Dolezalek, Z. Phys. Chem., 64, 727 (1908).Google Scholar
  9. 9.
    J. H. Hildebrand and R. L. Scott, “The Solubility of Nonelectrolytes,” Reinhold, New York, N.Y., 1950.Google Scholar
  10. 10.
    E. L. Taylor and G. L. Bertrand, J. Soln. Chem., 3, 479 (1974).CrossRefGoogle Scholar
  11. 11.
    W. E. Acree and G. L. Bertrand, J. Phys. Chem., 83, 2355 (1979).CrossRefGoogle Scholar
  12. 12.
    W. E. Acree, Jr., and J. H. Rytting, J. Pharm. Sci., 71, 201 (1982).CrossRefGoogle Scholar
  13. 13.
    W. E. Acree, Jr., and J. H. Rytting, Intern. J. Pharmaceutics, 10, 231 (1982).CrossRefGoogle Scholar
  14. 14.
    W. E. Acree, Jr., and J. H. Rytting, J. Pharm. Sci., 72, 292, (1983).CrossRefGoogle Scholar
  15. 15.
    W. E. Acree, Jr., D. R. McHan, and J. H. Rytting, J. Pharm. Sci., 72, 929 (1983).CrossRefGoogle Scholar
  16. 16.
    J. H. Rytting, S. S. Davis, and T. Higuchi, J. Pharm. Sci., 61, 816 (1972).CrossRefGoogle Scholar
  17. 17.
    D. J. W. Grant, T. Higuchi, Y. T. Hwang, and J. H. Rytting, J. Soln. Chem., 13, 297 (1984).CrossRefGoogle Scholar
  18. 18.
    J. H. Rytting, D. R. McHan, T. Higuchi, and D. J. W. Grant, J. Soin. Chem., 15, 693 (1986).CrossRefGoogle Scholar
  19. 19.
    B. D. Anderson, Ph. D. Dissertation, The University of Kansas, 1977.Google Scholar
  20. 20.
    B. D. Anderson in “Physical Chemical Properties of Drugs”, S. H. Yalkowsky, A. A. Sinkula and S. C. Valvani, eds., Marcel Dekker, Inc., pp. 231–266 (1980).Google Scholar
  21. 21.
    Braxton, Ph.D. Dissertation, The University of Kansas, 1988.Google Scholar
  22. 22.
    S. H. Yalkowsky and S. C. Valvani, J. Pharm. Sci., 69, 912 (1980).CrossRefGoogle Scholar

Copyright information

© Springer-Verlag Berlin Heidelberg 1988

Authors and Affiliations

  • J. Howard Rytting
    • 1
  1. 1.Pharmaceutical Chemistry DepartmentThe University of KansasLawrenceUSA

Personalised recommendations