Chromatographia

, Volume 41, Issue 3–4, pp 161–166 | Cite as

A computational study of the chromatographic separation of racemic mixtures

  • A. M. Edge
  • D. M. Heaton
  • K. D. Bartle
  • A. A. Clifford
  • P. Myers
Originals

Summary

A model is devised using molecular mechanics to simulate chromatographic separations of enantiomers. Theoretical results derived from this model are compared with experimental findings obtained using supercritical fluid chromatography. The model is then developed to incorporate the effects of binding the stationary phase to a matrix. Computed results show that addition of the matrix into the model has significant effects on the ability of the stationary phase to separate racemic mixtures.

Key Words

Supercritical fluid chromatography Molecular mechanics Chiral stationary phase Matrix interaction 

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References

  1. [1]
    H. Shindo, J. Caldwell, Chirality3, 91 (1991).CrossRefGoogle Scholar
  2. [2]
    E. J. Ariëns, Eur. J. Clin. Pharmacol.26, 66 (1984).CrossRefGoogle Scholar
  3. [3]
    K. Lipkowitz, B. Baker, Anal. Chem.62, 77 (1990).CrossRefGoogle Scholar
  4. [4]
    K. Lipkowitz, D. Demeter, R. Zegarra, R. Larter, T. Darden, J. Am. Chem. Soc.110, 3446 (1988).CrossRefGoogle Scholar
  5. [5]
    K. Lipkowitz, B. Baker, R. Zegarra, J. Comp. Chem.10 (5), 718 (1989).CrossRefGoogle Scholar
  6. [6]
    R. Däppen, H. Karfunkel, F. Leusen, J. Comp. Chem.11 (2), 181, (1990).CrossRefGoogle Scholar
  7. [7]
    T. Hanai, H. Hatano, N. Nimura, T. Kinoshita, J. Liq. Chrom.16 (4), 801 (1993).Google Scholar
  8. [8]
    T. Hanai, H. Hatano, N. Nimura, T. Kinoshita, The Analyst118, 1371 (1993).CrossRefGoogle Scholar
  9. [9]
    M. Still, L. Rogers, Talanta36 (1/2), 35 (1989).CrossRefGoogle Scholar
  10. [10]
    F. Kobor, K. Angermund, C. Schomburg, J. High Res. Chrom.16, 299 (1993).CrossRefGoogle Scholar
  11. [11]
    Derived from the MM2 force field,N. L. Allinger, J. Am. Chem. Soc.99, 8127 (1977).CrossRefGoogle Scholar
  12. [12]
    S. Topiol, M. Sabiol, J. Moroz, W. B. Caldwell, J. Am. Chem. Soc.110, 8367 (1988).CrossRefGoogle Scholar
  13. [13]
    Z. Juvancz, K. Markides, LC-GS INTL.5 (4), 44 (1993).Google Scholar
  14. [14]
    Y. Kaida, Y. Okamoto, “Fractionation by packed column SFC and SFE: Principles and applications”, Ch. 11; VCH, Weinheim, Ed. M. Saito, Y. Yamauchi, T. Okuyama.Google Scholar
  15. [15]
    M. Schleimer, V. Schurig, “Analysis with supercritical fluids: Extraction and chromatography”, Ch. 8; Springer Verlag, Ed. B. Wenclawiak.Google Scholar

Copyright information

© Friedr. Vieweg & Sohn Verlagsgesellschaft mbH 1995

Authors and Affiliations

  • A. M. Edge
    • 1
  • D. M. Heaton
    • 1
  • K. D. Bartle
    • 1
  • A. A. Clifford
    • 1
  • P. Myers
    • 2
  1. 1.School of ChemistryUniversity of LeedsLeedsUK
  2. 2.Deeside Industrial ParkPhase Separations Ltd.ClwydUK

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