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A computational study of the chromatographic separation of racemic mixtures

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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.

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References

  1. H. Shindo, J. Caldwell, Chirality3, 91 (1991).

    Article  Google Scholar 

  2. E. J. Ariëns, Eur. J. Clin. Pharmacol.26, 66 (1984).

    Article  Google Scholar 

  3. K. Lipkowitz, B. Baker, Anal. Chem.62, 77 (1990)

    Article  Google Scholar 

  4. K. Lipkowitz, D. Demeter, R. Zegarra, R. Larter, T. Darden, J. Am. Chem. Soc.110, 3446 (1988).

    Article  CAS  Google Scholar 

  5. K. Lipkowitz, B. Baker, R. Zegarra, J. Comp. Chem.10 (5), 718 (1989).

    Article  CAS  Google Scholar 

  6. R. Däppen, H. Karfunkel, F. Leusen, J. Comp. Chem.11 (2), 181, (1990).

    Article  Google Scholar 

  7. T. Hanai, H. Hatano, N. Nimura, T. Kinoshita, J. Liq. Chrom.16 (4), 801 (1993)

    CAS  Google Scholar 

  8. T. Hanai, H. Hatano, N. Nimura, T. Kinoshita, The Analyst118, 1371 (1993).

    Article  CAS  Google Scholar 

  9. M. Still, L. Rogers, Talanta36 (1/2), 35 (1989).

    Article  CAS  Google Scholar 

  10. F. Kobor, K. Angermund, C. Schomburg, J. High Res. Chrom.16, 299 (1993).

    Article  CAS  Google Scholar 

  11. Derived from the MM2 force field,N. L. Allinger, Am. Chem. Soc.99, 8127 (1977).

    Article  CAS  Google Scholar 

  12. S. Topiol, M. Sabiol, J. Moroz, W. B. Caldwell, J. Am. Chem. Soc.110, 8367 (1988).

    Article  CAS  Google Scholar 

  13. Z. Juvancz, K. Markides, LC-GS INTL.5 (4), 44 (1993).

    Google Scholar 

  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.

  15. M. Schleimer, V. Schurig, “Analysis with supercritical fluids: Extraction and chromatography”, Ch. 8; Springer Verlag, Ed. B. Wenclawiak.

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Authors and Affiliations

  1. School of Chemistry, University of Leeds, LS2 9JT, Leeds, UK

    A. M. Edge, D. M. Heaton, K. D. Bartle & A. A. Clifford

  2. Phase Separations Ltd., Deeside Industrial Park, CH5 2NU, Clwyd, UK

    P. Myers

Authors
  1. A. M. Edge
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  2. D. M. Heaton
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  3. K. D. Bartle
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  4. A. A. Clifford
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  5. P. Myers
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Edge, A.M., Heaton, D.M., Bartle, K.D. et al. A computational study of the chromatographic separation of racemic mixtures. Chromatographia 41, 161–166 (1995). https://doi.org/10.1007/BF02688018

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  • DOI: https://doi.org/10.1007/BF02688018

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