Kalman filtering approaches for solving problems in analytical chemistry

The application of the Kalman filter to the solution of a variety of problems in analytical chemistry is reviewed. Five examples are selected from the literature to illustrate the use of Kalman filtering techniques for obtaining least‐squares estimates fo several parameters of analytical importance. These examples include multicomponent curve resolution and concentration estimation, correction for variable background responses, calibration with drift compensation, and estimation of kinetic parameters for first‐order reactions and for heterogeneous charge‐transfer reactions. An adaptive Kalman filtering technique is required for the solution of the background correction problem, and the extended Kalman filter algorithm is required for the solution of the nonlinear kinetic problems. For each case, the results that were obtained are summarized, and some advantages of Kalman filtering over traditional least‐squares approaches are discussed.

[1]  Robert Grover Brown,et al.  Introduction to random signal analysis and Kalman filtering , 1983 .

[2]  IDENTIFICATION OF MIXTURES OF SYNTHETIC ORGANIC PIGMENTS USING UV-VIS SPECTROPHOTOMETRY AND KALMAN FILTERING , 1984 .

[3]  H. Poulisse,et al.  Multicomponent-analysis computations based on kalman filtering , 1979 .

[4]  Steven D. Brown,et al.  Resolution of overlapped electrochemical peaks with the use of the Kalman filter , 1981 .

[5]  Gerrit Kateman,et al.  A Kalman filter for calibration, evaluation of unknown samples and quality control in drifting systems : Part 4. Flow Injection Analysis , 1985 .

[6]  Steven D. Brown The Kalman filter in analytical chemistry , 1986 .

[7]  P. Coenegracht,et al.  The Simultaneous Spectrophotometric Assay of the Active Constituents of Multicomponent Analgesics Using Kalmanfiltering , 1984 .

[8]  Steven D. Brown,et al.  Estimation of electrochemical charge transfer parameters with the Kalman filter , 1984 .

[9]  P. C. Thijssen,et al.  A kalman filter for calibration, evaluation of unknown samples and quality control in drifting systems: Part 2. Optimal Designs , 1984 .

[10]  Steven D. Brown,et al.  Pulsed photoacoustic spectroscopy and spectral deconvolution with the Kalman filter for determination of metal complexation parameters , 1983 .

[11]  Steven D. Brown,et al.  Resolution of strongly overlapped responses in square-wave voltammetry by using the Kalman filter , 1985 .

[12]  Sarah C. Rutan,et al.  Background subtraction for fluorescence detection in thin-layer chromatography with derivative spectrometry and the adaptive Kalman filter , 1986 .

[13]  Steven D. Brown,et al.  Estimation of first-order kinetic parameters by using the extended kalman filter , 1985 .

[14]  P. Jochum,et al.  Deconvolution of multicomponent ultraviolet/visible spectra , 1984 .

[15]  Steven D. Brown,et al.  Simplex optimization of the adaptive kalman filter , 1985 .

[16]  Steven D. Brown,et al.  Adaptive Kalman filtering used to compensate for model errors in multicomponent methods , 1984 .

[17]  H. Poulisse,et al.  The Kalman Filter as an On-Line Drift Compensator in Multicomponent Analysis Determinations , 1980 .

[18]  Steven D. Brown,et al.  Two-dimensional and three-dimensional fitting of enzyme kinetic data with the kalman filter , 1985 .

[19]  Gerrit Kateman,et al.  A Kalman filter for calibration, evaluation of unknown samples and quality control in drifting systems : Part 3. Variance reduction , 1985 .

[20]  Gerrit Kateman,et al.  A Kalman filter for calibration, evaluation of unknown samples and quality control in drifting systems : Part 1. Theory and Simulations , 1984 .

[21]  A. Bryson,et al.  Discrete square root filtering: A survey of current techniques , 1971 .