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  • 1
    Electronic Resource
    Electronic Resource
    Mathematical structure of chromatographic optimization based on information theory: II. Analytical role of chromatographic variables (1991)
    Springer
    Chromatographia 31 (1991), S. 374-380 
    Details
    ISSN: 1612-1112
    Keywords: Chromatography, general ; Optimization ; Information theory ; Kalman filter
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The influence of variables Z (mobile phase composition X, column length L, etc.) on chromatographic analysis is studied in terms of the two separate stages of the whole optimization process. In the first stage, peak separation is the central concern and the resolution Rs can be related to Shannon information φj of peak $$j:\frac{{\partial \phi _j }}{{\partial Z}} = C\frac{{\partial R_s }}{{\partial Z}}$$ where C is a coefficient (〉0). In the second stage, only chromatograms with no peak overlap are considered and Rs is not connected with φj. The analytical role of Z is evaluated by comparing the signs and magnitudes of the derivatives of the information, φj, and its transmission rate, ϑj, with respect to Z in both stages.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02262195
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  • 2
    Electronic Resource
    Electronic Resource
    Information theory of optimization in chromatography: Correlation of information functions in optimization (1990)
    Springer
    Chromatographia 29 (1990), S. 446-448 
    Details
    ISSN: 1612-1112
    Keywords: Chromatography, general ; Optimization ; Information theory ; Kalman filter
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The quality of a chromatogram can be numerically characterized by a set of the information functions (Φ, δΦ, ΔΦ) where Φ is called FUMI, δΦ is the information loss, and ΔΦ is the information variation. A chromatogram can be expressed as a point in the space (Φ, δΦ, ΔΦ) and change in a parameter such as wavelength shift draws a curved line in the space. Optimization processes of different parameters display different patterns of lines in the space. Two types of optimization in the space are demonstrated for the analysis of an antipyretics mixture by liquid chromatography. The method used here may lead to a new aspect of optimization theory in chromatography.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02261392
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  • 3
    Electronic Resource
    Electronic Resource
    An information theory-based evaluation of stationary phases developed for optical resolution of amino acids (1993)
    Springer
    Chromatographia 37 (1993), S. 156-158 
    Details
    ISSN: 1612-1112
    Keywords: Chromatography, general ; Information theory ; Stationary phases ; Optical resolution of amino acids
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary Naphthylethylurea multiple-bonded chiral stationary phases prepared for the optimal resolution of p-bromophenylcarbamyl derivatives of enantiomeric amino acids are examined from the viewpoint of information theory. The criterion used is the function of mutual information (FUMI) which describes the precision of analysis as a function of peak shape (area and width), overlap and noise level. The length of the polyethyleneamine spacer in the chiral stationary phases is evaluated by the precision (FUMI) calculated from the peak shape and overlap. The best column is defined as the one which gives the highest precision. The temperature effect on the precision is also examined.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02275853
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  • 4
    Electronic Resource
    Electronic Resource
    Feasible solutions for optimization problems involving unresolved peaks using retention prediction and information theory (1991)
    Springer
    Chromatographia 31 (1991), S. 554-560 
    Details
    ISSN: 1612-1112
    Keywords: Chromatography, general ; Optimization ; Information theory ; Kalman filter ; Retention prediction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary This paper treats optimization problems involving unresolved component peaks with the information measure FUMI (Function ofMutualInformation) as a criterion. The LC analysis of 20 PTH-amino acids is taken as an example of the optimization of mobile phase composition, column length and temperature. The quantitative structure-retention relationship is adopted for the simulation and for the establishment of feasible solutions of the problems. The applicability of the FUMI theory is further extended by solving the above optimization problems.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02279475
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  • 5
    Electronic Resource
    Electronic Resource
    Mathematical structure of chromatographic optimization based on information theory: I. Effect of mobile phase composition on precision (1991)
    Springer
    Chromatographia 31 (1991), S. 367-373 
    Details
    ISSN: 1612-1112
    Keywords: Chromatography, general ; Optimization ; Information theory ; Kalman filter
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The influence of mobile phase composition X on the precision of liquid-chromatographic analysis is interpreted in terms of the derivate of the mutual information φ for peak j with respect to X, dφj/dX. The sign and magnitude of dφj/dX depend on the operational conditions of X or on the details of chromatograms (e.g., resolutions Rs), but dφj/dX always indicates the direction of X toward more information φj. The sensitivity function sj(=1/(kj+1)) is examined on the basis of information theory. Optimization is formulated as a nonlinear programming problem.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02262194
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  • 6
    Electronic Resource
    Electronic Resource
    Information theory of optimization in chromatography: Optimum peak separation and dependency on peak area (1991)
    Springer
    Chromatographia 32 (1991), S. 233-237 
    Details
    ISSN: 1612-1112
    Keywords: Chromatography, general ; Optimization ; Information theory ; Kalman filter
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary If a peak (j=2) moves along the time axis of a chromatogram with no change in the position τ1 of the other peak (j=1) or in areas A1 and A2, the optimum separation, Řs, is defined as the resolution Rs which provides the maximum information, called FUMI, among all possible positions τ2 of the peak (τ2≥τ1). This paper demonstrates that optimum separation, Řs, of chromatographic peaks critically depends on the peak areas. As the area ratio A2/A1 of overlapped peaks increases, greater separation (higher resolution Rs) is needed to obtain maximum information. The quantitative relationship between Řs and A2/A1 is derived by computer simulation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02276246
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