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  • 1
    Electronic Resource
    Electronic Resource
    Accuracy, precision and information of the adaptive Kalman filter in chromatography
    Amsterdam : Elsevier
    Analytica Chimica Acta 271 (1993), S. 91-100 
    Details
    ISSN: 0003-2670
    Keywords: Accuracy ; Kalman filter ; Liquid chromatography ; Optimization methods
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0003-2670(93)80556-Z
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  • 2
    Electronic Resource
    Electronic Resource
    Total chromatographic optimization (TOCO) I. Simultaneous optimization of many variables in liquid chromatography (1990)
    Springer
    Chromatographia 30 (1990), S. 85-90 
    Details
    ISSN: 1612-1112
    Keywords: Column liquid chromatography ; Optimization of variables ; Information theory ; Kalman filter
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The following chromatographic variables are totally optimized based on the recently developed information theory of optimization: mobile phase composition, column length, flow rate, wavelength, and the amount of internal standard. The optimal internal standard is selected from among six candidates. Two types of optimal conditions (Φ- and ϑ-optimals) are proposed: the Φ-optimal is defined as the most precise analysis (the maximal Φ) while the ϑ-optimal is the most efficient (rapid) analysis (the maximal ϑ). The observation times for the determination of an antipyretics mixture (three components) in liquid chromatography are ca. 50 s for the ϑ-optimal and ca. 8 min for the Φ-optimal. The reliability of the Φ- and ϑ-optimals is verified by experiments.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02270454
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  • 3
    Electronic Resource
    Electronic Resource
    A simple optimization strategy based on Rs-minimum and information theory of chromatography (1990)
    Springer
    Chromatographia 30 (1990), S. 367-370 
    Details
    ISSN: 1612-1112
    Keywords: Column liquid chromatography ; Optimization of variables ; Information theory ; Kalman filter
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary A simple optimization method based on the well-known Rs-minimum method and on the information theory of FUMI Φ is proposed. Resolution (Rs), peak area and height (or width) are the only parameters necessary for the calculation of the information Φ and information flow ϑ. The most precise analysis can be selected as the chromatogram having maximal ϑ. Mobile phase composition, column length, flow rate, detection wavelength, amount of internal standard, etc. can be optimized by this method.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02328499
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    Paper (German National Licenses)
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  • 4
    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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  • 5
    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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  • 6
    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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  • 7
    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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  • 8
    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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  • 9
    Electronic Resource
    Electronic Resource
    Information theory of optimization in chromatography: Analytical structure of optimization (1990)
    Springer
    Chromatographia 30 (1990), S. 371-376 
    Details
    ISSN: 1612-1112
    Keywords: Column liquid chromatography ; Optimization of variables ; Information theory ; Kalman filter
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The analytical roles of chromatographic variables (column length, etc.) can be soundly comprehended and compared in terms of the precision (Φ) of measurements and efficiency (ϑ) of analysis which are described as Shannon information and information flow, respectively. The φϑ plots of the optimization process and the information Φ transmitted by a single peak are useful to understand the analytical structure of optimization. Variables treated here are mobile phase composition (X), column length (L), mobile phase velocity rate (u), detection wavelength (λ) and plate number (N).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02328500
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    Paper (German National Licenses)
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  • 10
    Electronic Resource
    Electronic Resource
    Total chromatographic optimization (TOCO) II. Precision and efficiency of analysis (1990)
    Springer
    Chromatographia 30 (1990), S. 171-175 
    Details
    ISSN: 1612-1112
    Keywords: Column liquid chromatography ; Optimization of variables ; Information theory ; Kalman filter
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary A chromatographic system set at an operating condition takes its own precision and efficiency which are numerically described by the information Φ called FUMI and the information flow ϑ, respectively. Optimization for a variable such as mobile phase composition draws a line in the Φ-ϑ space. This paper demonstrates that optimization of different variables displays different patterns of lines in the Φ-ϑ space. The variables examined here are mobile phase composition, column length, flow rate (velocity) and detection wavelength (or the amount of internal standard). Clear difference in the analytical roles of the variables can be known from the Φ-ϑ plots.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02274541
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