, Volume 15, Issue 8, pp 498–504 | Cite as

A chromatographic response function for automated optimization of separations

  • W. Wegscheider
  • E. P. Lankmayr
  • K. W. Budna


A chromatographic response function is studied that is sensitive to important criteria of analytical performance: selectivity, accuracy, precision and time required to perform the separation. This function can be applied to mixtures of unknown solutes and little computational effort is needed to evaluate the numerical value of the function from the chromatogram. It shows well defined optima at elution strengths that give minimal elution times simultaneously with good separations in high-performance liquid chromatography. No prior chromatographic information characterizing the expected performance of a system is required. It is possible to use this function without a mechanistic model describing the separation process.

Key Words

Analytical performance Chromatographic response function HPLC (or LC) Optimization 


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  1. [1]
    G. E. P. Box, Biometrics10, 19 (1954).Google Scholar
  2. [2]
    S. L. Morgan, S. N. Deming, J. Chromatogr.112, 267 (1975).Google Scholar
  3. [3]
    R. E. Kaiser, Gas Chromatographie, Geest & Portig, Leipzig 1960, p. 33.Google Scholar
  4. [4]
    R. J. Laub, J. H. Purnell, J. Chromatogr.112, 71 (1975).Google Scholar
  5. [5]
    R. J. Laub, J. H. Purnell, Anal. Chem.48, 799 (1976).Google Scholar
  6. [6]
    R. J. Laub, J. H. Purnell, Anal. Chem.48, 1720 (1976).Google Scholar
  7. [7]
    S. N. Deming, M. L. H. Turoff, Anal. Chem.50, 546 (1978).Google Scholar
  8. [8]
    B. Sachok, R. C. Kong, S. N. Deming, J. Chromat.199, 317 (1980).Google Scholar
  9. [9]
    M. W. Watson, P. W. Carr, Anal. Chem.51, 1835 (1979).Google Scholar
  10. [10]
    A. L. Wilson, Talanta17, 21 (1970).Google Scholar
  11. [11]
    A. L. Wilson, Talanta17, 31 (1970).Google Scholar
  12. [12]
    A. L. Wilson, Talanta20, 725 (1973).Google Scholar
  13. [13]
    K. Eckschlager, V. Stepanek, Information Theory as Applied to Analytical Chemistry, Wiley, New York 1979.Google Scholar
  14. [14]
    K. Eckschlager, Coll. Czech. Chem. Comm.44, 2373 (1979).Google Scholar
  15. [15]
    C. Liteanu, I. Rica, Anal. Chem.51, 1968 (1979).Google Scholar
  16. [16]
    S. L. Morgan, C. A. Jacques, J. Chromatogr. Sci.16, 500 (1978).Google Scholar
  17. [17]
    J. L. Glaich, J. J. Kirkland, K. M. Squire, J. M. Minor, J. Chromatogr.199, 57 (1980).Google Scholar
  18. [18]
    B. L. Karger, W. D. Cooke, Anal. Chem.36, 985 (1964).Google Scholar
  19. [19]
    B. L. Karger, W. D. Cooke, Anal. Chem.36, 991 (1964).Google Scholar
  20. [20]
    G. Guiochon, Anal. Chem.38, 1020 (1966).Google Scholar
  21. [21]
    W. Wegscheider, B. B. Jablonski, D. E. Leyden, X-Ray Spectrom.8, 42 (1979).Google Scholar
  22. [22]
    B. B. Jablonski, W. Wegscheider, D. E. Leyden, Anal. Chem.51, 2359 (1979).Google Scholar
  23. [23]
    M. Martin, G. Guiochon, Chromatographia10, 194 (1977).Google Scholar
  24. [24]
    E. P. Lankmayr, K. W. Budna, F. Nachtmann, J. Chromatogr.198, 471 (1980).Google Scholar
  25. [25]
    L. R. Snyder, J. J. Kirkland, Introduction to Modern Liquid Chromatography, Wiley, New York, 2nd ed., Ch. 2 (1979).Google Scholar
  26. [26]
    J. H. Knox, J. Chromatogr. Sci.15, 352 (1977).Google Scholar
  27. [27]
    R. Rosset, M. Caude, J. Desbarres, E. Schmidt, Analusis8, 213 (1980).Google Scholar
  28. [28]
    L. R. Snyder, J. Chromatogr. Sci.16, 223 (1978).Google Scholar
  29. [29]
    R. Smits, C. Vanroelen, D. L. Massart, Fresenius' Z. Anal. Chem.273, 1 (1975).Google Scholar
  30. [30]
    G. S. Rautela, R. D. Snee, W. K. Miller, Clin. Chem.25, 1954 (1979).Google Scholar
  31. [31]
    S. N. Deming, S. L. Morgan, Anal. Chem.45, 278 A (1973).Google Scholar
  32. [32]
    A. S. Olansky, L. R. Parker, Jr., S. N. Morgan, S. N. Deming, Anal. Chim. Acta95, 107 (1977).Google Scholar
  33. [33]
    J. A. Nelder, R. Mead, Comput. J.7, 308 (1965).Google Scholar
  34. [34]
    R. B. King, Ph. D. Dissertation, Emory University, Atlanta (1974).Google Scholar
  35. [35]
    D. E. Long, Anal. Chim. Acta46, 193 (1969).Google Scholar
  36. [36]
    J. M. Lucas, Technometrics16, 561 (1974).Google Scholar

Copyright information

© Friedr. Vieweg & Sohn Verlagsgesellschaft mbH 1982

Authors and Affiliations

  • W. Wegscheider
    • 1
  • E. P. Lankmayr
    • 1
  • K. W. Budna
    • 1
  1. 1.Institute for Analytical Chemistry, Micro- and RadiochemistryTechnical UniversityGrazAustria

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