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  • Analytical Chemistry and Spectroscopy  (2,481)
  • 2020-2020
  • 1990-1994  (1,518)
  • 1980-1984  (963)
  • 1993  (1,518)
  • 1981  (963)
Collection
Keywords
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  • 2020-2020
  • 1990-1994  (1,518)
  • 1980-1984  (963)
Year
  • 1
    Electronic Resource
    Electronic Resource
    Data fitting in the chemical sciences, Peter Gans, Wiley, Chichester, 1992, ISBN 0471934127, 258 pp., £29.95 (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 75-76 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070106
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  • 2
    Electronic Resource
    Electronic Resource
    Chemical structure systems, Computational Techniques for Representation, Searching and Processing of Structural Information, ed. by Janet E. Ash, Wendy A. Warr and Peter Willett, Ellis Horwood, Chichester, 1991, ISBN 0-13-12669-3, 351 pp., £39.50 (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 223-224 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070308
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  • 3
    Electronic Resource
    Electronic Resource
    Application of orthogonal expansion to mapping and modelling (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 243-253 
    Details
    ISSN: 0886-9383
    Keywords: Orthogonal expansion ; Mapping ; Modelling ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this paper we discuss the orthogonal expansion of data matrices and its application to mapping and modelling. Two new methods, modified optimal discriminant plane (MODP) for mapping and order Gram-Schmidt orthogonalization (OGSO) for modelling, are proposed and examples are given.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070403
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  • 4
    Electronic Resource
    Electronic Resource
    Masthead (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070501
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  • 5
    Electronic Resource
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    Assessment of the effective rank of a (co)variance matrix: A non-parametric goodness-of-fit test (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 381-392 
    Details
    ISSN: 0886-9383
    Keywords: Factor analysis ; Kolmogorov-Smirnov test ; Non-parametric tests in factor analysis ; Non-parametric test for principal components ; Principal component analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Each eigenvector of the dispersion matrix [X]T [X] was shown to be a partial predictor of the original data matrix [X], the sum of the predictions from the individual principal components being equal to the expectance of [X]. By comparing the distributions of the members of two neighbouring predicted matrices, [X̃]1…i and [X̃]1…i+1 (i.e. the sums of the first i and i + 1 individual predictions respectively), it was shown that they should be indistinguishable provided that i is equal to or greater than the effective rank of [X], and significantly different otherwise. This was confirmed by analysing the visible absorption spectra of methyl orange and methyl red solutions as well as the Raman spectra of Na2SO4 and MgSO4 solutions. On the grounds of these findings, a non-parametric goodness-of-fit test for assessing the effective rank of [X] was proposed which proved to be comparatively conservative and more robust than most currently used tests.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070505
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  • 6
    Electronic Resource
    Electronic Resource
    Constrained background bilinearization with a generalized simulated annealing algorithm (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 369-379 
    Details
    ISSN: 0886-9383
    Keywords: Simulated annealing ; Constrained background bilinearization ; Calibration ; Two-way bilinear data ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Generalized simulated annealing (GSA) is an optimization technique for locating the global optimum. In this paper GSA was used as the optimization procedure in the constrained background bilinearization (CBBL) of two-way bilinear data in order to reduce the possibility of sinking into local optima. The behaviour of the algorithm and its comparison with the modified Powell algorithm were studied by simulations and real fluorescence excitation-emission data for organic dye mixtures.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070504
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  • 7
    Electronic Resource
    Electronic Resource
    Comments on the residual bilinearization method (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 439-445 
    Details
    ISSN: 0886-9383
    Keywords: Calibration ; Rank annihilation ; Residual bilinearization ; Three-way ; Trilinear ; Net analyte rank ; Second-order ; Generalized rank annihilation method (GRAM) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Through theoretical analysis and computer simulation, this short communication comments on the residual bilinearization (RBL) method and compares it with non-bilinear rank annihilation (NBRA) for the treatment of second-order calibration with non-bilinear data. It is found that these two methods are mathematically equivalent but have different noise propagation properties. The second-order advantage, namely quantitation in the presence of unknown interferences, can be carried over to non-bilinear data only if there exists a net analyte rank (NAR) for the analyte of interest.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070508
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  • 8
    Electronic Resource
    Electronic Resource
    Standard errors in the eigenvalues of a cross-product matrix: Theory and applications (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 495-526 
    Details
    ISSN: 0886-9383
    Keywords: Standard errors ; Eigenvalues ; PCA ; MLR ; GRAM ; Rank estimation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: New expressions are derived for the standard errors in the eigenvalues of a cross-product matrix by the method of error propagation. Cross-product matrices frequently arise in multivariate data analysis, especially in principal component analysis (PCA). The derived standard errors account for the variability in the data as a result of measurement noise and are therefore essentially different from the standard errors developed in multivariate statistics. Those standard errors were derived in order to account for the finite number of observations on a fixed number of variables, the so-called sampling error. They can be used for making inferences about the population eigenvalues. Making inferences about the population eigenvalues is often not the purposes of PCA in physical sciences. This is particularly true if the measurements are performed on an analytical instrument that produces two-dimensional arrays for one chemical sample: the rows and columns of such a data matrix cannot be identified with observations on variables at all. However, PCA can still be used as a general data reduction technique, but now the effect of measurement noise on the standard errors in the eigenvalues has to be considered. The consequences for significance testing of the eigenvalues as well as the usefulness for error estimates for scores and loadings of PCA, multiple linear regression (MLR) and the generalized rank annihilation method (GRAM) are discussed. The adequacy of the derived expressions is tested by Monte Carlo simulations.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070605
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  • 9
    Electronic Resource
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    Software Review (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 559-566 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070609
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  • 10
    Electronic Resource
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    Masthead (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070101
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  • 11
    Electronic Resource
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    Compression of nth-order data arrays by B-splines. Part 1: Theory (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 61-73 
    Details
    ISSN: 0886-9383
    Keywords: Compression ; Multivariate analysis ; B-splines ; Maximum entropy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: For efficient handling of very large data arrays, pretreatment by compression is mandatory. In the present paper B-spline methods are described as good candidates for such data array compression. The mathematical relation between the maximum entropy method for compression of data tables and the B-spline of zeroth degree is described together with the generalization of B-spline compression to nth-order data array tables in matrix and tensor algebra.
    Additional Material: 7 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070105
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  • 12
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    Investigation of copper(II)-Ethylenediaminetetraacetate complexation by window factor analysis of ultraviolet spectraPresented at the Eastern Analytical Symposium in Somerset, NJ on 14 November 1992 (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 89-98 
    Details
    ISSN: 0886-9383
    Keywords: Factor analysis ; Window factor analysis ; Multicomponent analysis ; Ultraviolet spectroscopy ; Cu(II) complexes ; Ethylenediaminetetraacetic acid ; EDTA ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Window factor analysis (WFA) is a self-modeling chemometric technique for obtaining the concentration profiles of components from evolutionary processes such as chromotography, titration and reaction kinetics. By specifying the ‘window’, i.e. the region along the evolutionary axis indigenous to a component, the concentration profile of the component can be obtained without recourse to any information concerning the other components. Mathematical expressions required to perform such computations are derived. The method is applied to the investigation of copper(II) complexation with ethylenediaminetetraacetate (EDTA) by recording and factor analyzing the ultraviolet spectra of aqueous solutions containing a fixed amount of the disodium salt of EDTA and varying amounts of CuCl2. Evidence for four different species of EDTA is obtained. Clues concerning the stoichiometry of the species are garnered from the concentration profiles.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070203
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  • 13
    Electronic Resource
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    Short communication Classification methods for multivariate quality parameters (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 131-142 
    Details
    ISSN: 0886-9383
    Keywords: Classification ; Discriminant analysis ; Class modeling ; Specification limits ; Cross-validation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: There are many chemical products where product conformity is decided upon by qualitative human judgements of overall product quality. Nowadays, quantitative instrumentally determined quality parameters become available which are intended to replace such qualitative judgements by means of automatic decision rules using multivariate specification limits. Six classification methods to derive such limits are compared in terms of their power to predict corresponding human judgemets on overall color conformity of 17 dyestuffs based on historical quality data. Standard statistical classification methods turned out to be unacceptable for the routine generation of decision rules because of the frequent distinct suboptimality of their predictive power. Instead, a simple non-statistical classification method utilizing a priori knowledge about the underlying data structure yielded uniformly satisfactory decision rules.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070206
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  • 14
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    A global perspective on multivariate calibration methods (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 153-163 
    Details
    ISSN: 0886-9383
    Keywords: Generalized inverse ; K-matrix analysis ; P-matrix analysis ; Least squares ; Principal component regression ; Partial least squares ; Continuum regression ; Beer's law ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper consists of two distinct but related parts. In the first part a geometric theory of generalized inverses is presented and a methodology based on this theory is developed and applied to solve the K-matrix and P-matrix forms of Beer's law. It is shown that most currently accepted and practiced methods for solving these forms of Beer's law are just special cases of this geometric theory of generalized inverses. In addition, this geometric theory is used to explain why the current methods work and why they fail.In the second part a general methodology that includes as special cases least squares, principal component regression, partial least squares 1 and 2, continuum regression plus a variety of other described and undescribed methodologies is presented and then applied to solve the P-matrix formulation of Beer's law. This general methodology, like the first, is also geometric in nature and relies on an understanding of projections.The main emphasis of this paper is one of perspective, which, if understood, provides the proper foundation for answering the general but extremely hard and possibly unanswerable question “what is the best method?”.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070303
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  • 15
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    Detecting and adjusting for non-linearities in calibration of near-infrared data using principal components (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 195-212 
    Details
    ISSN: 0886-9383
    Keywords: Calibration ; Non-linearity ; Principal components ; Stein estimate ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new regression method for non-linear near-infrared spectroscopic data is proposed. The technique is based on a model which is linear in the principal components and simple functions (squares and products) of them. Added variable plots are used to determine which squares and products to incorporate into the model. The regression coefficients are estimated by a Stein estimate which shrinks towards the estimate determined by the first several principal components and the selected non-linear terms. The technique is not computationally intensive and is appropriate for routine predictions of chemical concentrations. The method is tested on three data sets and in all cases gives more accurate predictions than does linear principal components regression.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070306
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  • 16
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    Non-linear mapping for structure-activity and structure-property modelling (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 227-242 
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    ISSN: 0886-9383
    Keywords: Non-linear mapping ; Graphical methods ; SAR ; SPR ; Quality of representation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: From a review of the theoretical aspects of non-linear mapping and the different algorithms available in the literature, the methodological and practical problems linked to the use of this multivariate method in structure-activity and structure-property relationship studies are underlined. Useful tools for the graphical display of the outputs and the interpretation of the obtained clusters are presented. Statistical parameters estimating the quality of the graphical representation of each individual are also introduced. An example of application on a data matrix of 37 acaricides described by four physicochemical descriptors (π, F, R, MR) is presented.
    Additional Material: 11 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070402
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  • 17
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    A test of significance for partial least squares regression (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 291-304 
    Details
    ISSN: 0886-9383
    Keywords: Partial least squares ; Monte Carlo methods ; Cross validation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Partial least squares (PLS) regression is a commonly used statistical technique for performing multivariate calibration, especially in situations where there are more variables than samples. Choosing the number of factors to include in a model is a decision that all users of PLS must make, but is complicated by the large number of empirical tests available. In most instances predictive ability is the most desired property of a PLS model and so interest has centred on making this choice based on an internal validation process. A popular approach is the calculation of a cross-validated r2 to gauge how much variance in the dependent variable can be explained from leave-one-out predictions. Using Monte Carlo simulations for different sizes of data set, the influence of chance effects on the cross-validation process is investigated. The results are presented as tables of critical values which are compared against the values of cross-validated r2 obtained from the user's own data set. This gives a formal test for predictive ability of a PLS model with a given number of dimensions.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070407
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  • 18
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    Optimization in organic synthesis. An approach to obtaining kinetic information by sequential response surface modelling. Outline of the principles (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 341-367 
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    ISSN: 0886-9383
    Keywords: Reaction kinetics ; Initial rate ; Kinetic order ; Response surface modelling ; Canonical analysis ; Organic synthesis ; Optimization ; Reaction mechanisms ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method is presented by which it is possible to estimate the initial rate of chemical reactions when the experimental conditions are varied according to a response surface design. The method is intended as a complementary method for analysing data obtained from experiments in synthetic chemistry when the objective is to optimize the yield of the reaction.Data obtained by simulations have been used to develop the method. From the simulated reactions it is shown that sequential analysis of the chemical yield of the reaction makes it possible to estimate models which describe how the parameters of the response surface of the yield vary over time. The derivatives of these time functions of the response surface parameters can be used to define a rate function which describes how the variations in the experimental conditions influence the rate of the reaction.It is shown how such rate functions can be used to afford reasonable estimates of the initial rates of the reaction. The initial reaction rates thus estimated can be used to determine the kinetic order of the reactants and also to provide estimates of the activation energy of the reaction.A thorough discussion of how canonical analysis of the rate function may assist in the elucidation of reaction mechanisms is given.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070503
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  • 19
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    Multivariate selection of variables in industrial quality control: Optimizing aviation fuel final control (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 427-438 
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    ISSN: 0886-9383
    Keywords: Quality control ; Kerosene ; Variable reduction ; Cross-validation ; Variable selection ; Procrustes rotation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper deals with a typical question encountered in all industrial analytical laboratories: are all the tests performed in the laboratory to characterize the final product really necessary? In this work the cross-validation technique, Procrustes rotation techniques and statistical variable selection have been used to reduce the 26 initial British Petroleum and ASTM kerosene specification test to ten ‘essential’ ones. Statistical as well as chemical considerations were used to select the optimum subset of original variables to be retained from all the possible ones.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070507
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  • 20
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    EDITORIAL (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 453-454 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070602
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  • 21
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    Robust principal component analysis by projection pursuit (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 527-541 
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    ISSN: 0886-9383
    Keywords: Principal component analysis ; Projection pursuit ; Simulated annealing algorithm ; Robust statistics ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Principal component analysis (PCA) is a widely used technique in chemometrics. The classical PCA method is, unfortunately, non-robust, since the variance is adopted as the objective function. In this paper, projection pursuit (PP) is used to carry out PCA with a criterion which is more robust than the variance. In addition, the generalized simulated annealing (GSA) algorithm is introduced as an optimization procedure in the process of PP calculation to guarantee the global optimum. The results for simulated data sets show that PCA via PP is resistant to the deviation of the error distribution from the normal one. The method is especially recommended for use in cases with possible outlier(s) existing in the data.
    Additional Material: 7 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070606
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    The kernel algorithm for PLS (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 45-59 
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    ISSN: 0886-9383
    Keywords: Partial least squares ; PLS algorithm ; Kernel ; Multivariate image analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A fast and memory-saving PLS regression algorithm for matrices with large numbers of objects is presented. It is called the kernel algorithm for PLS. Long (meaning having many objects, N) matrices X (N × K) and Y (N × M) are condensed into a small (K × K) square ‘kernel’ matrix XTYYTX of size equal to the number of X-variables. Using this kernel matrix XTYYTX together with the small covariance matrices XTX (K × K), XTY (K × M) and YTY (M × M), it is possible to estimate all necessary parameters for a complete PLS regression solution with some statistical diagnostics. The new developments are presented in equation form. A comparison of consumed floating point operations is given for the kernel and the classical PLS algorithm. As appendices, a condensed matrix algebra version of the kernel algorithm is given together with the MATLAB code.
    Additional Material: 6 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070104
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    Eliminating complex eigenvectors and eigenvalues in multiway analyses using the direct trilinear decomposition method (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 77-88 
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    ISSN: 0886-9383
    Keywords: Direct trilinear decomposition method ; Curve resolution ; Trilinear data ; Similarity transformation ; Generalized rank annihilation method ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The direct trilinear decomposition method (DTDM) is an algorithm for performing quantitative curve resolution of three-dimensional data that follow the so-called trilinear model, e.g. chromatography-spectroscopy or emission-excitation fluorescence. Under certain coditions complex eigenvalues and eigenvectors emerge when the generalized eigenproblem is solved in DTDM. Previous publications never treated those cases. In this paper we show how similarity transformations can be used to eliminate the imaginary part of the complex eigenvalues and eigenvectors, thereby increasing the usefulness of DTDM in practical applications. The similarity transformation technique was first used by our laboratory to solve the similar problem in the generalized rank annihilation method (GRAM). Because unique elution profiles and spectra can be derived by using data matrices from three or more samples simultaneously, DTDM with similarity transformations is more efficient than GRAM in the case where there are many samples to be investigated.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070202
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    The Laboratory for Analytical Chemistry, University of Nijmegen, Nijmegen, The Netherlands (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 143-148 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070207
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  • 25
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    Editorial (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 151-151 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070302
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    The chemometrics activities at Eastman Kodak, Rochester, New York (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 213-222 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/cem.1180070307
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    Masthead (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993) 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070401
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    Determination of a multivariate detection limit and local chemical rank by designing a non-parametric test from the zero-component regions (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 277-289 
    Details
    ISSN: 0886-9383
    Keywords: Multicomponent analysis ; Factor analysis ; Detection limit ; Local rank ; Zero-component region ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this paper we redefine the term detection limit to embrace the inherent multivariate nature of samples, instrumental measurements and chemometrics resolution procedures. The so-called zero-component regions, i.e. parts with no chemical components eluting, are used as repeated analytical blanks to estimate a statistical multivariate detection limit for determining the number of chemical species in local regions of a single two-way chromatogram or a collection of synchronized one-way chromatograms. For two-way chromatography the detection limit is determined from the distribution of the first eigenvalues obtained from all possible combinations of spectra in the zero-component regions. The number of spectra in each calculation should correspond to the number included in the later examination of the local retention time regions. For one-way chromatography on a collection of samples with similar chemical components at varying concentrations the same procedure is used, with the samples taking the role of the spectra in two-way chromatography. The detection limit can be chosen at various confidence levels depending on whether false positive or negative detection of minor components is most critical. The results obtained from the zero-eigenvalue distribution are more robust than those obtained by a previously developed F-test.
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    URL: http://dx.doi.org/10.1002/cem.1180070406
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    Istituto di analisi E Tecnologie farmaceutiche ed alimentari, University of Genoa, Italy (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 447-452 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180070509
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    Body diagonalization of core matrices in three-way principal components analysis: Theoretical bounds and simulation (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 477-494 
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    ISSN: 0886-9383
    Keywords: Three-way principal components analysis ; Core matrix ; Body diagonalization ; Lower and upper bounds ; Simulation ; Soil contamination ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In contrast with conventional PCA, a direct superposition and joint interpretation of loading plots is not possible in three-way PCA, since there may be data variance which is described by unequal components of different modes. The contributions to variance of all possible combinations of components are described in the core matrix. Body diagonalization, which is achieved by appropriate rotation of component matrices, is an essential tool for simplifying the core matrix structure. The maximum degree of body diagonality which may be obtained from such transformations is analysed from both the mathematical and simulation viewpoints. It is shown that, at least in the average case, high degrees can be expected, which makes the procedure reasonable for many practical applications. Furthermore, simulation as well as theoretical derivation show that the success of body diagonality depends on the so-called polarity of the core array. The methodology is illustrated by a three-way data example from environmental chemistry.
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    PLS fits closer than PCR (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 551-557 
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    ISSN: 0886-9383
    Keywords: Krylov sequence ; Partial least squares ; Polynomial regression ; Principal component regression ; R2 ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: PLS1 regression is generally viewed as lying in between PCR and OLS regression. Proof is given that the coefficient of determination, R2, for a PLS multivariate calibration model is at least as high as that for a PCR model with the same number of components. It appears that PLS can be linked to a correlation-weighted polynomial regression of a constant response on the eigenvalues of the covariance matrix of the predictor variables.
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    Identification of finite impulse response models with continuum regression (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 1-14 
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    ISSN: 0886-9383
    Keywords: Continuum regression ; Dynamic model identification ; Principal component regression ; Partial least squares regression ; Finite impulse response ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The use of continuum regression (CR) for the identification of finite impulse response (FIR) dynamic models is investigated. CR encompasses the methods of principal component regression (PCR), partial least squares (PLS) and multiple linear regression (MLR). PCR and MLR are at the two extremes of the continuum. In PCR and PLS, cross-validation is used to determine the optimum number of factors or ‘latent variables’ to retain in the regression model. CR allows one to vary the method in addition. Cross-validation then determines both the optimum method and the number of latent variables. The CR ‘prediction error surface’ - a function of the method and number of latent variables - is elucidated. The optimal model is defined as the minimum of this surface. Among the cases studied, the optimal model usually comes from the region of the continuum between PCR and PLS. Few derive from the region between PLS and MLR. It is also demonstrated that FIR models identified by CR have frequency domain properties similar to those identified by PCR.
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    Masthead (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993) 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070201
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    Advances in second-order calibration (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 117-130 
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    ISSN: 0886-9383
    Keywords: Calibration ; Rank annihilation ; Three-way ; Trilinear ; Bilinear ; Non-bilinear ; Net analyte signal ; MS/MS ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Several multivariate methods are now available for the calibration of second-order or hyphenated instruments (e.g. GC/MS). When applied to bilinear data, it has been shown that calibration can be performed in the presence of unknown interferences - a significant advantage over first-order calibration. In this paper, non-bilinear rank annihilation (NBRA), a method which has the potential of handling, second-order non-bi-linear data, is studied through theoretical analysis and computer simulation. It is found that the second-order advantage can be carried over to non-bilinear data if a property defined as net analyte rank (NAR) holds for the analyte of interest. The net analyte signal (NAS) is defined accordingly for second-order calibration and the analogy to and difference from lower-order calibration are discussed. With NAS, some analytical figures of merit such as signal-to noise ratio, selectivity, sensitivity and limit of determination can be calculated for second order calibration. An application to MS/MS data is also given.
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    Masthead (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070301
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    Representation of spectra by continuous functions (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 177-193 
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    ISSN: 0886-9383
    Keywords: Multivariate analysis ; Function space ; Coefficient space ; B-splines ; Compression ; PCA ; PLS ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A general framework for manipulating spectra as functions in traditional multivariate methods such as PCA and PLS is described. The functional representation is very convenient for compression, ensuring smoothness and continuity. There are two fundamentally different types of representations: (a) by functions and (b) by function coefficients. The use of coefficients is the most practical way of analysis.
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    Chemometrics for analytical chemistry - Volume I : PC-aided statistical data analysis, M. Meloun, J. Militky and M. Forina, Ellis Horwood (Series in Analytical Chemistry), Chichester, 1992, ISBN 0-13-126376-5, No. of pages: 330. Price: £65.00 (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 225-225 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/cem.1180070309
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    Use of the Kalman filter for multivariate calibration in a real system and its comparison with CLS and pure component calibration methods (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 267-275 
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    ISSN: 0886-9383
    Keywords: Kalman filter ; Multivariate calibration ; Condition number ; Prediction error ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The usefulness of the Kalman filter as an algorithm for calibration in a real system is shown. Results are compared with classical least squares and pure component calibration. The prediction of four priority pollutant chlorophenols in binary, ternary and quaternary mixtures was also carried out by Kalman filtering. The condition number, standard deviation and prediction error have been employed to choose the most suitable wavelength range. Comparison of the standard error of prediction in the validation set shows significant differences between the evaluated chlorophenols, the best results being obtained with Kalman multivariate calibration.
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    Graphics for linearity and selectivity and prediction diagnostics for multicomponent spectra (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 255-265 
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    ISSN: 0886-9383
    Keywords: Multicomponent calibration ; Non-linearity ; Selectivity ; Wavelength selection ; Graphical diagnostics ; Outliers ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Modern scanning infrared reflectance/absorption spectroscopes measure absorptions or reflectance at a sequence of around 1000 wavelengths. Training data may consist of 10-100 carefully designed sample mixtures whose true compositions are either known by formulation or accurately determined by wet chemistry. In future, one wishes to predict the true composition of a newly presented sample from its spectrum. Varying compositions of a mixture of three sugars in water are used for illustration of several different graphical techniques; the spectral measurements here are near-infrared (NIR) absorbances, but there is nothing exclusively infrared about the methodology. Graphs display the adequacy of a linear explanation of absorbance variability at each wavelength by wavelength linearity plots. These highlight regions of the spectrum where non-linearities and interaction effects are substantial. By selecting out these substantially non-linear regions, one can concentrate on linear formulae for prediction with resultant robust linear modelling. Such selections are further aided by plots which identify the component sugar for which each wavelength is most selective. Such plots offer rather natural pre-screening as an alternative or supplement to the wavelength selection method of Brown.We also display prediction diagnostics (R, Rx) which on a sample-by-sample basis may diagnose a particularly unusual presented spectrum. These diagnostics are shown to have predictive import for a validation data set.
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    Multivariate exploratory data analysis and graphics: A tutorial (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 305-340 
    Details
    ISSN: 0886-9383
    Keywords: Stem & leaf display ; Histogram ; Boxplot ; Quantile plot ; Scatterplot ; Regression ; Smoothing ; 3D rotation ; Scatterplot matrix ; OMEGA strategy ; Dimension reduction ; Stability of structure ; Resampling ; Interpretation of structure ; Prediction models ; Variables selection ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Exploratory data analysis (EDA) is a toolbox of data manipulation methods for looking at data to see what they seem to say, i.e. one tries to let the data speak for themselves. In this way there is hope that the data will lead to indications about ‘models’ of relationships not expected a priori. In this respect EDA is a pre-step to confirmatory data analysis which delivers measures of how adequate a model is. In this tutorial the focus is on multivariate exploratory data analysis for quantitative data using linear methods for dimension reduction and prediction. Purely graphical multivariate tools such as 3D rotation and scatterplot matrices are discussed after having introduced the univariate and bivariate tools on which they are based. The main tasks of multivariate exploratory data analysis are identified as ‘search for structure’ by dimension reduction and ‘model selection’ by comparing predictive power. Resampling is used to support validity, and variables selection to improve interpretability.
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    Resolution of strongly overlapping two-way multicomponent data by means of heuristic evolving latent projections (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 15-43 
    Details
    ISSN: 0886-9383
    Keywords: Curve resolution ; Multicomponent analysis ; Latent projections ; Local factor analysis ; Chlorophyll degradation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: High-performance liquid chromatography with diode array detection (HPLC--DAD) is used to characterize mixtures from chlorophyll a degradation experiments. Overlapping chromatographic peaks are resolved by means of the heuristic evolving latent projections (HELP) method. The HELP method is a self-modelling curve resolution method. No assumptions are made about spectral and/or chromatographic peak shape. In the first step the method establishes the real noise level in the data by use of the so-called zero-component regions. This information is used to reveal selective chromatographic information and the number of chemical species at every retention time in unresolved chromatographic peaks. Utilising the selective chromatographic regions in combination with the zero-concentration windows, unique resolution into concentration profiles and spectra of the pure chemical species is accomplished. HPLC-DAD data from six chlorophyll a degradation experiments were analysed. Consistent results were obtained even with very similar spectra for six or seven overlapping chemical components.
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    Improvements to the classification performance of RDA (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 99-115 
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    ISSN: 0886-9383
    Keywords: Classification ; Appreciation function ; Regularized discriminant analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Regularized discriminant analysis has proven to be a most effective classifier for problems where traditional classifiers fail because of a lack of sufficient training samples, as is often the case in highdimensional settings. However, it has been shown that the model selection procedure of regularized discriminant analysis, determining the degree of regularization, has some deficiencies associated with it. We propose a modified model selection procedure base on a new appreciation function. By means of an extensive simulation it was shown that the new model selection procedure performs better than the original one. We also propose that one of the control parameters of regularized discriminant analysis be allowed to take on negative values. This extension leads to an improved performance in certain situations. The results are confirmed using two chemical data sets.
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    Conference announcement: 1993 Gordon Research Conference on statistics in chemistry and chemical engineering (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 149-150 
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    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/cem.1180070208
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    Finding suspected causes of measurement error in multivariate environmental data (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 165-176 
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    ISSN: 0886-9383
    Keywords: Measurement error ; Outliers ; Environmental ; Quality control ; Multivariate kurtosis ; Generalized distance ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Environmental data are usually multivariate, with the variables conforming to some correlation structure. Occasionally, measurements which do not conform in structure or magnitude may occur in one or more variables. It is important (1) to characterize these discordancies in terms of the disturbed variables and the direction and magnitude of the anomalous error and (2) to associate each discordant observation with a specific cause of measurement error in order to prevent further mismeasurement. We describe a procedure for identifying suspected causes of discordant observations in otherwise multinormal data sets. Variables are assigned to groups, each of which is associated with a specific cause of measurement error. Discordant observations are identified with the generalized distance test or the multivariate kurtosis test. Suspected causes of measurement error are identified by repeating the tests with one of the groups of variables omitted in each analysis. The procedures are evaluated with simulated data sets having a correlation structure similar to that of a large environmental data set.
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    The geometry of multivariate object preprocessing (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 393-425 
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    ISSN: 0886-9383
    Keywords: Preprocessing ; Closure ; Normalization ; Ratioing ; Constant sum transformation ; Constant length transformation ; Maximum value transformation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The geometric properties of three common object-preprocessing transformations (constant sum, or closure; constant length, or normalization; and maximum value, or ratioing) are investigated. An argument is made for using absolute values in the constant sum and maximum value transformations. In general, each transformation distorts the shape and dimensionality of patterns in the data: transformed data lie on (C-1)-dimensional surfaces in the original C-dimensional space. A data set that has been closed by one of these transformations can be reopened if a vector containing the constant sums, constant lengths or maximum values of the original objects was retained. Transformed data sets may be freely interconverted among these three transformations without the loss of information.
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    Masthead (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180070601
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    Statistical thinking and technique for QSAR and related studies. Part I: General theory (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 455-475 
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    ISSN: 0886-9383
    Keywords: Biological activity ; Cross-validation ; Exchangeability ; Molecular descriptors ; Prediction ; Relationship ; Structure ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The two parts of this paper form a critique of a variety of statistical techniques of actual or potential use in quantitative structure-activity relationship (QSAR) studies and related fields. Part I explores the statistical thinking that is needed to underpin those techniques. Emphasis as placed on (a) the role of ‘exchangeability’ as an alternative to unrealistic statistical modelling and (b) the use of cross-validation to limit self-deception in the use of any particular technique. The problem of the almost unlimited range of molecular descriptors is seriously addressed. (Part II provides a concise critical review of methods-some well-established and some new.)
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    Effect of standardization on fragment-based measures of structural similarity (1993)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 7 (1993), S. 543-550 
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    ISSN: 0886-9383
    Keywords: Fragment occurrence data ; Molecular similarity ; Similarity searching ; Standardization ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Substructural fragment occurrence data are widely used as the basis for measures of inter-molecular structural similarity. This paper investigates the effect of standardization on the effectiveness of such measures using eight data sets for which both structural and biological activity data are available. Eight different standardization methods are studied and it is shown that there is no significant difference in the effectivenesses of the various methods; accordingly, any of them can be used for the calculation of intermolecular structural similarity.
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    Glass capillary SCOT columns by a single-step coating method (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 11-16 
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    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary, glass ; SCOT column ; Coating, liquid phase ; Single-step coating ; Phenols ; Phenolic acids ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A single-step coating method for the preparation of glass capillary SCOT columns is described. It is reproducible and less time-consuming than the well-known two-step coating procedures. Other methods attempted are discussed briefly. Both the flame ionization and electron capture detectors could be used in conjunction with temperature programming. The separations achieved with an “activity mixture”, phenols and phenolic acids, illustrate the resolution obtained. The columns are suitable for quantitative determinations and a comparison is made with a conventional packed column.
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    High-speed aqueous gel permeation chromatography of pollen allergens (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 35-36 
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    ISSN: 0935-6304
    Keywords: Gel permeation chromatography, GPC ; High-speed analysis ; Pollen allergen extract ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240040109
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    Continuous and gradient TLC development of 4-dimethylaminoazobenzene-4′-sulfonyl amino acid derivatives (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 115-120 
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    ISSN: 0935-6304
    Keywords: TLC ; Gradient and continuous development ; Amino acids ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Thin-layer gradient elution chromatography is a convenient technique for separation of very complicated mixtures; in some cases the gradient technique can be replaced by continuous development. The two techniques are compared in practice by using them to separate a mixture of dabsyl derivatives of amino acids.
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    Rapid separation of isomeric Xylenes on a short liquid crystal-coated glass capillary in the supercooled temperature range (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 123-124 
    Details
    ISSN: 0935-6304
    Keywords: (GC)2 in short capillaries ; Liquid crystalline stationary phase ; Supercooled temperature range ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240040307
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    Improved separation of glycosylated tryptic peptides by RP-HPLC (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 302-304 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography ; Hemagglutinin glycoprotein of influenza virus investigated ; Peptide separation ; 14C labeling for identification ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The potential of reverse-phase high-performance liquid chromatography (RP-HPLC) for the separation of the tryptic glycopeptides of the hemagglutinin (HA) glycoprotein of influenza virus has been investigated. Excellent separation was accomplished with sample recovery of at least 90-95% by the utilization of an octadecasilyl silica stationary phase and a phosphoric acid/n-propanol solvent system. Eight glycosylated tryptic peptide classes were resolved from the HA glycoprotein of the A/USSR/90/77 virus strain.
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    Plate requirements in chromatography and distillation (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 477-478 
    Details
    ISSN: 0935-6304
    Keywords: Square relationship ; Effect of separation efficiency ; Simple equation for plate comparison ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/jhrc.1240040913
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    Product news (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 42-42 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240040114
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    Quantitative evaluation of thin-layer chromatograms. 5. Calculation of reflectance and transmission using Markov chains (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 141-142 
    Details
    ISSN: 0935-6304
    Keywords: TLC ; Reflectance ; Transmission ; Probability vector ; Transition matrix ; Markov chains ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Changes of reflected and transmitted light in cases where a band lies in different sublayers of a thin-layer chromatogram are calculated by the use of Markov chains. The problem of a “random walk with absorbing barriers” is described and compared with the problem of transmission and reflectance of light in a layer of sorbent.
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    Trace analysis of fungicides in grape juice and wine using glass capillary gas chromatography (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 151-155 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary, glass ; XAD-2 resin ; Fungicide residues, determination in wine and grape juice ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The fungicides Bupirimate, Fenarimol, and Vinclozolin were sprayed on Vines. The fruits were harvested 8 and 21 days after the final application and processed to juice and wine. The fungicide residues were determined by filtration of the samples throug XAD-2 after pH adjustment, elution with methylene chloride, and glass capillary gas chromatography with SE-30 as stationary phase. Residue values of the three compounds were reported before and after fermentation. The precision of the analytical method was established by spiking portuguese white wine and spanish grape juice with the three fungicides and Triadimefon. The recoveries were in the range 80%-100%, except for Vinclozolin.
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    A simple and safe sealing technique for static coating (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 183-183 
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    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary, glass ; End-sealing technique for static coating ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240040410
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    Product news (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 197-200 
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    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Qualitative evaluation of aromatic herbs by direct head space (GC)2 analysis. Methodology and some preliminary applications (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 215-217 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary columns ; Direct method for flavor evaluation ; Aromatic herbs analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A simple, quick method is described for GC head space evaluation of herbs and drugs. The proposed procedure consists of milling a weighed sample of a certain herb in a glass device like a Braun MXK coffee grinder, modified in such a way that a special gas-tight valve allows the direct sampling of the vapors. Glass capillary columns are used to analyze the head space volatiles. Some preliminary applications of the method are given.
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    A quick and clean technique for sealing capillary columns using the static coating method (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 232-232 
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    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary, glass ; Static coating ; Sealing method ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/jhrc.1240040508
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    Glibenclamide in serum: HPLC determination with pre-column derivatization (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 237-239 
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    ISSN: 0935-6304
    Keywords: HPLC fluorescence detection ; Pre-column derivatization ; Glibenclamide ; Serum drug levels ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Chromatography calendar (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 253-254 
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    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/jhrc.1240040516
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    Fourth International Symposium on Capillary Chromatography (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 42-42 
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    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/jhrc.1240040113
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    HPLC with chemically bonded stationary phases. 4. Amide, carbamate and chiral α-aminoamide phases (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 81-83 
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    ISSN: 0935-6304
    Keywords: HPLC bonded phases ; Derivatisation of aminopropyl silica ; Resolution of enantiomers ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
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    Recent developments in chromatography and electrophoreses, 10. Edition by Alberto Frigerio and Malcolm McCamish, Elsevier, Amsterdam (1980), pp. 340, $ 68.25 (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 308-308 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240040618
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    The activity of silaceous capillary columns for gas-liquid chromatography (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 38-39 
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    ISSN: 0935-6304
    Keywords: Gas chromatography ; Fused silica capillary column ; Activity ; Hydroxylated surfaces ; Dehydroxylated surfaces ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Masthead (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981) 
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    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/jhrc.1240040201
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    On-column detection using a fused silica column (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 83-85 
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    ISSN: 0935-6304
    Keywords: HPLC ; Nanoliter volume detector ; 1.5 × 10-5 AU noise (0.1 μl 0.1% benzene in methanol) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Product news (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 95-96 
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    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240040213
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    Ion-pair HPLC of chlorhexidine-A simple, rapid method for quantitation in pharmaceutical preparations (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 132-134 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; Ion-pair reversed-phase HPLC ; Chlorhexidine in pharmaceutical preparations ; Quantitation within 0.66-3.41% relative standard deviation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 8 Ill.
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    Letter to the Reader (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 142-142 
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    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Masthead (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981) 
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    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    Influence of structure and polarity of polysiloxanes on retention of N-TFA butyl esters of amino acids (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 247-248 
    Details
    ISSN: 0935-6304
    Keywords: Gas Chromatography ; No simple relationship found between polarity of polysiloxane phases and N-TFA amino acid butyl esters ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this work, we have investigated the influence of the polarities and structures of 13 polysiloxanes on the retention of some N-TFA N-butyl esters of amino acids. Gehrke [1] was the first to examine the possible relationship between polarity and retention data of amino acid derivatives for 9 stationary liquid phases. He concluded that the molecular structure of the stationary liquid phase is an important factor determining retention.
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    Application of ion-exchange resin coated plates for thin-layer chromatography of sulfonamides and some other chemotherapeutic compounds (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 287-291 
    Details
    ISSN: 0935-6304
    Keywords: Thin layer chromatography, TLC ; Ion exchange resin plates/tert-butyl alcohol, H2O, Na2HPO4, Nacl; ethanol, H2O, Na-acetate, NaCl ; Sulfonamides and other chemotherapeutic substances ; Qualitative analysis ; Effect of pH variation on Rf values ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A thin-layer chromatographic method is described for sulfonamides and some other chemotherapeutic compounds. Ion-exchange resin precoated plates (Fixion 50 × 8 Na+, Chinoin, Budapest or Polygram Ionex-25 SA-Na, Macherey-Nagel and Co.,Düren, FRG) are employed with Na2HPO4 or Na-acetate (adjusted to different pH values) containing NaCl and tert-butyl alcohol or ethanol as developing solvent system. For qualitative and/or semiquantitave determinations the chromatograms can be stained: (A) with o-tolidine, after chlorination; (B) with p-dimethylaminobenzaldehyde; (C) with p-dimethylaminocinnamaldehyde.
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    Separation of pesticides by capillary gas chromatography. Part 2: Organophosphorus insecticides (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 346-347 
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    ISSN: 0935-6304
    Keywords: Gas chromatography ; WCOT-glass capillary ; Organophosphorus insecticides ; Pesticides ; Metabolites ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This article considers the separation of 23 organophosphorus insecticides to which two metabolites have been added. The high resolution of the column permits detection of the Z and E isomers of three of these insecticides.
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    Product news (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 361-362 
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    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    Fused silica capillary column GC/MS for the analysis of priority pollutants (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 366-384 
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    ISSN: 0935-6304
    Keywords: GC/MS ; Capillary columns, fused silica ; Priority pollutants ; Quantitation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Operational characteristics have been determined for fused silica capillary column (FSCC) GC/MS as applied to “extractable” priority polutants. Chromatographic data show excellent relative retention time (RRT) intralaboratory precision and interlaboratory accuracy when multiple internal standards are empolyed. Potential chromatographic problems, such as column overload and “double peaking”, are addressed. Response factor relative standard deviations (RSD) at 50 ng for most of the extractable priority pollutants over the long term indicated precise determination (i.e. RSD generally ≤ 10%). Linearity was demonstrated over two orders of magnitude for FSCC GC/MS analysis of compounds with relatively low and high RF (response factor) values. Potential quantitative problems, such as saturation, are discussed. For certain aromatic priority pollutants interlaboratory RF agreement was observed. This was noted as perhaps the most important property of FSCC GC/MS analysis when the multiple internal standard approach is utilized. Determinations of extractable priority pollutants are directly compared for paced column GC/MS and FSCC GC/MS analysis of separate and composited extracts. For six extracts analyzed in triplicate, the latter configuration was shown to produce more consistent results. In view of the superior analysis logistics of composite extract FSCC GC/MS analysis, this approach was established as the preferred method for the analysis of priority pollutants classified as extractable.
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    Simultaneous detection of total and halogenated hydrocarbons in complex environmental samples (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 393-397 
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    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary, fused silica ; Simultaneous detection ; Splitting capillary effluent ; Detection limit of 1 ppm Archlor 1254 ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A state-of-the-art gas chromatographic system for automatic simultaneous detection of halogenated and normal hydrocarbons has been developed, which consists of a standard Hewlett-Packard 5880 with a fused silica capillary column, whose effluent is split between the standard flame ionization detector and a Tracor Hall electroconductivity detector. The system provedes excellent capillary chromatography results and high sensitivity for halogenated compounds (a detection limit of 1 ppm Archlor 1254 in fuel oil). Reliability has been provides in the daily analysis of complex environmental samples.Emergency response cleanup and the containment of hazardous chemical spills and chemical dump sites forces one to deal with samples that are very complex. The contain large numbers of naturally occurring organic compounds and varying types of organic pollutants. Capillary chromatographic techniques of gas chromatographic and gas chromatographic/mass spectrometric analyses are necessary to achieve the resolution required for the analysis of these samples.
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    Thin-layer chromatography with high-boiling mobile phases.1. Investigation of the flow of the high-boiling mobile phasesPresented in part at the “CAMAG” conference held in the USSR on December 2-4,1980 (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 398-401 
    Details
    ISSN: 0935-6304
    Keywords: Thin layer chromatography ; Use of molten solids as mobile phase advantageous ; Migration at higher temperature (80-180°C) studied ; Correction of front position for unsaturated flow possible ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper considers some aspects of a new TLC technique using a molten mobile phase which is solid under ambient conditions. The flow of high-boiling mobile phase at elevated temperature in thin-layer chromatography has been investigated and it is shown that the equation Zf2 = kt is not applicable to migration of the high boiling mobile phase front. The flow stability of the high-boiling mobile phase is noted. It is suggested on the basis of studies of concentration profiles of the solidified mobile phases by scanning photometers that the shape of the mobile phase concentration profile be taken into account in calculation of Rf Values.
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    Masthead (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981) 
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    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240041001
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    Analysis of urine by liquid chromatography in the ion-exchange or hydrophobic modeThis paper was presented in part at the 1980 Pittsburgh Conference, Atlantic City, N. J., March 1980. (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 500-507 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography ; Weak anion exchanger ; Octadecyl bonded packing ; Urine analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The analysis of ultraviolet-absorbing constituents in urine was undertaken by anion-exchange and reversed-phase liquid chromatography. A newly developed anion exchanger (TSK-IEX540 DEAE) was used for ion-exchange mode liquid chromatography and its high polarity and physical strength greatly reduced the analysis time. Up to 80 peaks were resolved within 30 min. Hydrophobicity values were used to predict the retention times of acids in reversed-phase mode liquid chromatography.
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    Role of injection time and septum holder in split injection of polycyclic aromatic hydrocarbons (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 523-524 
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    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary, glass ; Split injection ; Injection time influence ; PAH ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240041009
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    An easy and reliable method for end-sealing glass capillary columns (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 533-534 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary, glass ; End-sealing method for static coating ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240041014
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  • 85
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    Combination of micro high performance liquid chromatography and fourier transform infrared spectrometry using the potassium bromide crystal buffer memory technique (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 532-533 
    Details
    ISSN: 0935-6304
    Keywords: Micro high performance liquid chromatography, MHPLC ; Fourier transform infrared spectrometry, FT- IR ; Combination of MHPLC and FT-IR ; KBr buffer memory technique ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240041013
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  • 86
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    Liberti and Sievers win Tswett Medal 1981 (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 546-546 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240041022
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  • 87
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    Reversed phase thin layer chromatography of phenols on chemically bonded C18 layers (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 557-560 
    Details
    ISSN: 0935-6304
    Keywords: Thin layer chromatography, TLC, HPTLC ; Reversed phase, chemically bonded ; Phenols ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240041104
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  • 88
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    Rapid boiling point assay of tar from coal gasification by gas chromatography (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 580-581 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Coal gasification tar ; Boiling point distribution ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240041108
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  • 89
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    An improved ion-pairing reagent for HPLC (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 584-585 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; Reverse-phase mode ; TBAOAc/NH4OAc ion-pairing reagent circumvents problems ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240041111
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  • 90
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    Chromatography calendar (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 591-594 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240041115
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  • 91
    Electronic Resource
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    Masthead (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981) 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240041201
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  • 92
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    Electronic Resource
    Simple GC/FID trace determination of toluene in silicone fluids (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 647-648 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Direct injection of silicone fluids method of choice for determining trace organic contaminants ; ≥ 1 ppm toluene determined ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240041209
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  • 93
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    Electronic Resource
    Resolution of organic sulfite diastereoisomers using silica gel liquid chromatography (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 653-654 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; Diastereoisomer separation of organic sulfites ; Bis(2-aryl-3-oxotetrahydro-2H-1,2-oxazin-5-yl) sulfite ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240041212
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  • 94
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    TLC determination of airbone carbofuran and quinalphos for industrial hygiene purposes (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 659-660 
    Details
    ISSN: 0935-6304
    Keywords: Thin layer chromatography, TLC ; Quantitation by TLC scanner ; Detection mode, reflection ; Measuring mode, absorbance ; RSD 3% for carbofuran and 1% for quinalphos ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240041216
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  • 95
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    A selection method for high performance stationary phases in glass capillary GC. Part 1: The molecular weight distribution of polyglycol phases (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 3-5 
    Details
    ISSN: 0935-6304
    Keywords: Molecular weight distribution ; Polyglycol GC stationary phases ; Carbowax ; Ucon ; Pluronic ; Emulphor ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The width of the molecular weight distribution (MWD) of polymer stationary phases influences their polarity and other gas chromatographic characteristics. The MWD of the most frequently used polyglycol-type stationary phases such as Carbowax, Ucon, Emulphor and Pluronic has been determined and compared. The MWD determined by gel chromatography allows for the characterization of the actual batch of a stationary phase, provides a check on its consistency and helps to screen out the apparently less promising phases.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240040102
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  • 96
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    Electronic Resource
    Quantitative analysis of some preservatives in pharmaceutical formulations by different chromatographic methods (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 24-26 
    Details
    ISSN: 0935-6304
    Keywords: HPTLC ; HPLC ; GC/MS ; Methyl hydroxybenzoate (MHB) ; Propyl hydroxybenzoate (PHB) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Different chromatographic methods for determination of methyl hydroxybenzoate and propyl hydroxybenzoate in pharmaceutical formulations are compared. Procedures for HPTLC, HPLC and GC/MS are given.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240040106
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  • 97
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    Analysis of cardenolides of Convallaria majalis by high pressure liquid chromatography (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 37-38 
    Details
    ISSN: 0935-6304
    Keywords: HPLC ; Cardenolides in Convallaria majalis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Cardenolides of Convallaria majalis were separated by reverse-phase HPLC on Partisil PXS 10/25 ODS columns using 25% acetonitrile as mobile phase. Periplorhamnoside, convallatoxin and either convallatoxol or convalloside were resolved from glycoside mixtures. Convallatoxin and periplorhamnoside were identified in plant extracts, convalloside and convallatoxol were not resolved from non-cardenolide material present in leaf extracts.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240040110
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  • 98
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    Some comments on the barium carbonate (Grob) procedure for treating glass capillary columns for gas-liquid chromatography (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 79-80 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Glass capillary columns ; Barium carbonate ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240040207
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  • 99
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    Application of multidimensional switching to the analysis of volatiles (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981), S. 86-89 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Packed columns ; Multidimensional switching, MDSS ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A multidimensional switching system with two packed columns has been used for the analysis of volatiles. Use of a high-boiling solvent and the backflush mode permitted total resolution of the mixture discussed in a short analysis time.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240040210
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  • 100
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    Masthead (1981)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 4 (1981) 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240040301
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