Chapter 16 Interpretation of environmental data using chemometrics

[1]  Randall D. Tobias,et al.  Chemometrics: A Practical Guide , 1998, Technometrics.

[2]  S. D. Jong,et al.  Handbook of Chemometrics and Qualimetrics , 1998 .

[3]  P. Paatero,et al.  Atmospheric aerosol over Alaska: 2. Elemental composition and sources , 1998 .

[4]  N. Sidiropoulos,et al.  Least squares algorithms under unimodality and non‐negativity constraints , 1998 .

[5]  R. Tauler,et al.  Resolution and quantitative determination of coeluted pesticide mixtures in liquid chromatography–thermospray mass spectrometry by multivariate curve resolution , 1998 .

[6]  Romà Tauler,et al.  Multivariate curve resolution applied to three‐way trilinear data: Study of a spectrofluorimetric acid–base titration of salicylic acid at three excitation wavelengths , 1998 .

[7]  Romà Tauler,et al.  Input Characterization of Sedimentary Organic Contaminants and Molecular Markers in the Northwestern Mediterranean Sea by Exploratory Data Analysis , 1997 .

[8]  R. Bro PARAFAC. Tutorial and applications , 1997 .

[9]  P. Paatero A weighted non-negative least squares algorithm for three-way ‘PARAFAC’ factor analysis , 1997 .

[10]  R. Tauler,et al.  Degradation study of benomyl and carbendazim in water by liquid chromatography and multivariate curve resolution methods , 1997 .

[11]  Romà Tauler,et al.  Assessment of new constraints applied to the alternating least squares method , 1997 .

[12]  Philip K. Hopke,et al.  The chemical mass balance as a multivariate calibration problem , 1997 .

[13]  R. Tauler,et al.  Application of a multivariate curve resolution procedure to the analysis of second-order melting data of synthetic and natural polynucleotides. , 1997, Analytical chemistry.

[14]  Jürgen W. Einax,et al.  Chemometrics in Environmental Analysis , 1997 .

[15]  Romà Tauler,et al.  Second order multivariate curve resolution applied to the flow injection analysis of mixtures of amino acids , 1996 .

[16]  I. Tolosa,et al.  Aliphatic and Polycyclic Aromatic Hydrocarbons and Sulfur/Oxygen Derivatives in Northwestern Mediterranean Sediments: Spatial and Temporal Variability, Fluxes, and Budgets , 1996 .

[17]  Romà Tauler,et al.  Application of multivariate self-modeling curve resolution to the quantitation of trace levels of organophosphorus pesticides in natural waters from interlaboratory studies , 1996 .

[18]  Jürgen W. Einax,et al.  Multivariate correlation analysis - a method for the analysis of multidimensional time series in environmental studies , 1996 .

[19]  Philip K. Hopke,et al.  Solving the Chemical Mass Balance Problem Using an Artificial Neural Network , 1996 .

[20]  W. Battaglin,et al.  Concentrations of selected herbicides, herbicide metabolites, and nutrients in outflow from selected midwestern reservoirs, April 1992 through September 1993 , 1996 .

[21]  R. Tauler Multivariate curve resolution applied to second order data , 1995 .

[22]  I. Tolosa,et al.  Spatial and temporal distribution, fluxes, and budgets of organochlorinated compounds in Northwest Mediterranean sediments. , 1995, Environmental science & technology.

[23]  Romà Tauler,et al.  Determination of traces of herbicide mixtures in water by on-line solid-phase extraction followed by liquid chromatography with diode-array detection and multivariate self-modelling curve resolution , 1995 .

[24]  Charles L. Lawson,et al.  Solving least squares problems , 1976, Classics in applied mathematics.

[25]  B. Kowalski,et al.  Selectivity, local rank, three‐way data analysis and ambiguity in multivariate curve resolution , 1995 .

[26]  R. Manne On the resolution problem in hyphenated chromatography , 1995 .

[27]  J. Einax,et al.  Chemometrics in environmental chemistry : statistical methods , 1995 .

[28]  E. Thurman,et al.  Formation and transport of deethylatrazine and deisopropylatrazine in surface water. , 1994, Environmental science & technology.

[29]  Richard J. Wenning,et al.  Interpretation and analysis of complex environmental data using chemometric methods , 1994 .

[30]  D. Barceló,et al.  Validation of an automated precolumn exchange system (PROSPEKT) coupled to liquid chromatography with diode array detection. Application to the determination of pesticides in natural waters , 1994 .

[31]  Age K. Smilde,et al.  Multicomponent Determination of Chlorinated Hydrocarbons Using a Reaction-based Chemical Sensor. Part 2. Chemical Speciation Using Multivariate Curve Resolution , 1994 .

[32]  R. Todeschini,et al.  The data analysis handbook , 1994, Data handling in science and technology.

[33]  Bruce R. Kowalski,et al.  Extension of Trilinear Decomposition Method with an Application to the Flow Probe Sensor , 1994 .

[34]  Willem Windig,et al.  The use of second-derivative spectra for pure-variable based self-modeling mixture analysis techniques , 1994 .

[35]  C. Pidgeon,et al.  Phospholipid immobilization on solid surfaces. , 1994, Analytical chemistry.

[36]  D. Barceló,et al.  Comparison of on-line solid-phase disk extraction to liquid-liquid extraction for monitoring selected pesticides in environmental waters , 1993 .

[37]  Bruce R. Kowalski,et al.  Nonlinear Multivariate Calibration Methods in Analytical Chemistry , 1993 .

[38]  B. Kowalski,et al.  Multivariate curve resolution applied to spectral data from multiple runs of an industrial process , 1993 .

[39]  R. Singh,et al.  Determination of benomyl and its degradation products by chromatographic methods in water, wettable powder formulations, and crops , 1993 .

[40]  S. D. Jong SIMPLS: an alternative approach to partial least squares regression , 1993 .

[41]  Romà Tauler,et al.  Simultaneous analysis of several spectroscopic titrations with self-modelling curve resolution , 1993 .

[42]  R. Tauler,et al.  Multivariate curve resolution applied to liquid chromatography—diode array detection , 1993 .

[43]  Johann Gasteiger,et al.  Neural Networks for Chemists: An Introduction , 1993 .

[44]  W. Windig Self-modeling mixture analysis of spectral data with continuous concentration profiles , 1992 .

[45]  H. R. Keller,et al.  Evolving factor analysis in the presence of heteroscedastic noise , 1992 .

[46]  P. Hopke,et al.  A new receptor model: A direct trilinear decomposition followed by a matrix reconstruction , 1992 .

[47]  R. Tauler,et al.  Deconvolution and quantitation of unresolved mixtures in liquid chromatographic-diode array detection using evolving factor analysis , 1992 .

[48]  P. Hopke An introduction to receptor modeling , 1991 .

[49]  Dennis R. Helsel,et al.  Less than obvious - statistical treatment of data below the detection limit , 1990 .

[50]  P. A. Gorry General least-squares smoothing and differentiation by the convolution (Savitzky-Golay) method , 1990 .

[51]  A. Höskuldsson PLS regression methods , 1988 .

[52]  Philip K. Hopke,et al.  Target transformation factor analysis as an aerosol mass apportionment method: A review and sensitivity study , 1988 .

[53]  Riccardo Leardi,et al.  A program for varimax rotation in factor analysis , 1987 .

[54]  M. Maeder Evolving factor analysis for the resolution of overlapping chromatographic peaks , 1987 .

[55]  S. Wold,et al.  Multi‐way principal components‐and PLS‐analysis , 1987 .

[56]  H. Gampp,et al.  Calculation of equilibrium constants from multiwavelength spectroscopic data-III Model-free analysis of spectrophotometric and ESR titrations. , 1985, Talanta.

[57]  P. Hopke Receptor modeling in environmental chemistry , 1985 .

[58]  Bruce R. Kowalski,et al.  An extension of the multivariate component-resolution method to three components , 1985 .

[59]  G. Kateman,et al.  Multicomponent self-modelling curve resolution in high-performance liquid chromatography by iterative target transformation analysis , 1985 .

[60]  G. Golub Matrix computations , 1983 .

[61]  Olav M. Kvalheim,et al.  SIMCA multivariate data analysis of blue mussel components in environmental pollution studies , 1983 .

[62]  Harald Martens,et al.  Restricted Least Squares Estimation of the Spectra and Concentration of Two Unknown Constituents Available in Mixtures , 1982 .

[63]  Desire L. Massart,et al.  Alternative k-nearest neighbour rules in supervised pattern recognition : Part 2. Probabilistic classification on the basis of the kNN method modified for direct density estimation , 1982 .

[64]  C. Chatfield The Analysis of Time Series: An Introduction , 1990 .

[65]  Norman R. Draper,et al.  Applied regression analysis (2. ed.) , 1981, Wiley series in probability and mathematical statistics.

[66]  Edmund R. Malinowski,et al.  Factor Analysis in Chemistry , 1980 .

[67]  S. Wold Cross-Validatory Estimation of the Number of Components in Factor and Principal Components Models , 1978 .

[68]  Edmund R. Malinowski,et al.  Determination of the number of factors and the experimental error in a data matrix , 1977 .

[69]  J. Calmon,et al.  Kinetics and mechanisms of conversion of methyl 1-(butylcarbamoyl)-2-benzimidazolecarbamate (benomyl) to methyl 2-benzimidazolecarbamate (MBC). , 1976, Journal of agricultural and food chemistry.

[70]  E. A. Sylvestre,et al.  Self Modeling Curve Resolution , 1971 .

[71]  D. M. Ellis,et al.  Applied Regression Analysis , 1968 .

[72]  Ronald N. Bracewell,et al.  The Fourier Transform and Its Applications , 1966 .

[73]  A. Savitzky,et al.  Smoothing and Differentiation of Data by Simplified Least Squares Procedures. , 1964 .