Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Estimation of Bioconcentration Factors in Fish for Organic Nonelectrolytes Using the Linear Solvation Energy Relationship

  • Jung Hag Park (Department of Chemistry, Yeungnam University) ;
  • Eun Hee Cho (Department of Chemistry, Yeungnam University)
  • Published : 1993.08.20
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Abstract

Bioconcentration factors (BCF) in fish of organic nonelectrolytes are well correlated by a linear solvation energy relationship (LSER) of the form : log BCF= -0.95 + 4.74 $V_I/100 - 4.39{\beta} + 0.88{\alpha}$ where $V_I$ is the intrinsic solute molecular volume and ${\beta}$ and ${\alpha}$ are the solvatochromic parameters that measure hydrogen bond acceptor basicity and donor acidity of the compound. The LSER model can not only correlate the property with an accuracy comparable to molecular connectivity model but also provide a quantitative informationon on the nature and relative strength of solute-target system interactions affecting the property of interest. Such an information can hardly be obtained from molecular connectivity model.

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References

  1. Handbook of Chemical Property Estimation Methods W. J. Lyman;W. F. Reehl;D. H. Rosenblatt(ed.)
  2. Environ. Sci. Technol. v.8 W. B. Neely;D. R. Branson;G. E. Blau
  3. J. Fish. Res. Board Can. v.36 G. D. Veith;D. L. Defoe;B. V. Bergstedt
  4. Aquatic Toxicology ASTM STP 707 E. E. Kenaga;C. A. I. Goring;J. G. Eaton(ed.);P. R. Parrish(ed.);A. C. Hendricks(ed.)
  5. Environ. Sci. Technol. v.16 D. Mackay
  6. Environ. Sci. Technol. v.26 W. D. Wolf;J. H. M. de Bruijn;W. Selnen;J. L. M. Hermens
  7. Chem.-Biol. Interact. v.42 A. Sabljic;M. Protic
  8. Bull. Environ. Contam. Toxicol. v.30 A. Sabljic
  9. Z. Gesamte Hyg. v.33 A. Sabljic
  10. J. Org. Chem. v.48 M. J. Kamlet;J. L. M. Abboud;M. H. Abraham;R. W. Taft
  11. J. Solution Chem. v.14 R. W. Taft;J. L. M. Abboud;M. J. Kamlet;M. H. Abraham
  12. Acta Chem. Scand. v.B39 M. J. Kamlet;R. W. Taft
  13. J. Pharm. Sci. v.74 R. W. Taft;M. H. Abraham;G. R. Famini;R. M. Doherty;J. L. M. Abboud;M. J. Kamlet
  14. Environ. Sci. Technol. v.22 M. J. Kamlet;R. M. Doherty;P. W. Carr;D. Mackay;M. H. Abraham;R. W. Taft
  15. J. Phys. Chem. v.92 M. J. Kamlet;R. M. Doherty;M. H. Abraham;Y. Marcus;R. W. Taft
  16. J. Korean Chem. Soc. v.35 J. H. Park;J. E. Lee
  17. J. Pharm. Sci. v.75 M. J. Kamlet;D. J. Abraham;R. M. Doherty;R. W. Taft;M. H. Abraham
  18. J. Phys. Chem. v.91 M. J. Kamlet;R. M. Doherty;M. H. Abraham;P. W. Carr;R. F. Doherty;R. W. Taft
  19. Environ. Sci. Technol. v.20 M. J. Kamlet;R. M. Doherty;G. D. Veith;R. W. Taft;M. H. Abraham
  20. Environ. Sci. Technol. v.21 M. J. Kamlet;R. M. Doherty;R. W. Taft;M. H. Abraham;G. D. Veith;M. H. Abraham
  21. Chromatographia v.33 J. H. Park;Y. K. Lee;J. B. Donnet
  22. J. Chromatogr. v.465 J. H. Park;P. W. Carr
  23. Anal. Chem. v.57 P. C. Sadek;P. W. Carr;R. M. Doherty;M. J. Kamlet;R. W. Taft;M. H. Abraham
  24. Anal. Chem. v.58 P. W. Carr;R. M. Doherty;M. J. Kamlet;R. W. Taft;W. Melander;Cs. Horvath
  25. Chromatographia v.25 J. H. Park;P. W. Carr;M. H. Abraham;R. W. Taft;R. M. Doherty;M. J. Kamlet
  26. Bull. Korean Chem. Soc. v.11 J. H. Park;M. D. Jang;S. T. Kim
  27. Bull. Korean Chem. Soc. v.11 J. H. Park
  28. J. Pharm. Sci. v.75 D. E. Leahy
  29. J. Fish. Res. Board Can. G. D. Veith;K. J. Macek;S. R. Petrocelli;J. Carroll
  30. Environ. Sci. Technol. v.11 J. R. Clayton, Jr.;S. P. Pavlou;N. F. Breitner
  31. Ann. Rev. Pharmacol. Toxicol. v.17 J. L. Hemelink;A. Spacie
  32. WRC Reserach Report No. 52 R. C. Hiltibran;D. L. Underwood;J. S. Fickle
  33. Environmental Toxicology of Pesticides Chlorinated Hydrocarbon Insecticides in the Environment: Factors Related to Bioconcentration of Pesticides E. E. Kenaga;F. Matsumara(ed.);G. M. Boush(ed.)
  34. Bull. Environ. Contam. Toxicol. v.22 J. F. Narbonne
  35. Wat. Res. v.12 G. R. Southworth;J. J. Beauchamp;P. K. Schmieder

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