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  • 1990-1994  (2,279)
  • 1992  (2,279)
  • Analytical Chemistry and Spectroscopy  (1,522)
  • Engineering  (757)
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  • 1990-1994  (2,279)
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  • 1
    Electronic Resource
    Electronic Resource
    Masthead (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992) 
    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.1180060101
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  • 2
    Electronic Resource
    Electronic Resource
    Mathematical model for the optimization of the reaction between 2,3-bis(m-tolyl)quinolizinium bromide and piperidine using a factorial design (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 1-10 
    Details
    ISSN: 0886-9383
    Keywords: Derivatization reaction ; Factorial design ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A number of nucleophiles have been successfully identified and quantified using the Kröhnke reaction with 2,3-diphenyl derivatives of quinolizinium salts. Optimization of the reaction conditions by means of a mathematical model involving analysis of the response surface has led to a better understanding of the factors exerting an influence on the above reaction.The parameters chosen were temperature, reaction time, base concentration, water concentration and nucleophile concentration. The reaction was developed in polar aprotic solvents (acetone, acetonitrile). To facilitate the nucleophilic attack, the presence of an organic base (triethylamine) was necessary, although concentrations in excess of 0·15M did not alter the development of the reaction. Since pharmaceutical solutions are often aqueous, the influence of water on the reaction was studied. Low water volumes have no significant influence on the opening of the quinolizinium ring by the nucleophilic reagent. However, when the water proportion exceeded that of the organic solvent, the fluorescence intensity was lower than expected. Development of the fluorescent reaction product was first detected 5 min after the reaction started. The fluorescence intensity reached its optimum value after 138 min.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060102
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  • 3
    Electronic Resource
    Electronic Resource
    Announcements (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. i 
    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.1180060203
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  • 4
    Electronic Resource
    Electronic Resource
    A new receptor model: A direct trilinear decomposition followed by a matrix reconstruction (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 65-83 
    Details
    ISSN: 0886-9383
    Keywords: Trilinear decomposition ; Receptor modeling ; Source identification ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In many cases, monitoring data for ambient airborne particles can be organized in the form of a three-way data table with one way for chemical species, one for sampling periods and one for sites. A direct trilinear decomposition followed by a matrix reconstruction (DTDMR) is developed to analyze such a data table as a whole. The three-way data set is composed into three two-way matrices by a direct trilinear decomposition (DTD). The column vectors of each of the matrices are called ‘source profiles’, ‘emission patterns’ and ‘site coefficients’ respectively. Particulate sources are identified by examining both their source profiles and emission patterns. After the sources have been identified, emission patterns and site coefficients are used to produce a three-way matrix that gives estimates of mass contributions of sources to the samples collected at every site in every period. By simulation study, not only has the method been verified, but a good indicator has been found that shows the number of factors (i.e. sources) in the system. Unlike other receptor models, DTDMR does not require source profile data and does not involve trial-and-error procedures. Since DTDMR identifies sources based on variations in two dimensions, it has a higher potential to distinguish two sources that have similar chemical compositions. The DTDMR model has provided excellent results with simulated data and has been applied in a real world three-way data set.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060205
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  • 5
    Electronic Resource
    Electronic Resource
    Multiple-correspondence analysis optical microscopy for determination of starch granules (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 163-175 
    Details
    ISSN: 0886-9383
    Keywords: Multiple-correspondence analysis ; Starch granule description ; Image analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Raw starch is composed botanically of characteristic granules of various sizes and shapes, so that each kind of starch may be characterized by the population of its granules. In the present study ten commercial starch species were studied: wheat, rice, manioc, potato, arrowroot, amylomaize, normal maize, waxy maize and two different banana species. Six variables measuring the size and shape of granules were obtained by image analysis. The objective was to find a method to describe and compare the granule populations of the ten species. For such a study, multiple-correspondence analysis (MCA) was applied. MCA makes it possible to draw similarity maps of categories and objects. For each starch species the frequency distributions (histograms) of the six variables were assessed and each granule was characterized by its species and the classes of histograms to which it belonged. MCA was applied to the granule table and a description of the histogram classes and the granules was obtained. From the variables description a general typology of the granules was deduced. The similarity maps showed considerable scatter of the granules for all species except rice. A particular species could therefore not be identified by a single granule, but the granule distribution seemed to be characteristic. MCA was an appropriate method to analyse these data because it points out non-linear relationships between quantitative and qualitative variables.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060307
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  • 6
    Electronic Resource
    Electronic Resource
    Estimation of prediction error for samples within the calibration range (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 177-188 
    Details
    ISSN: 0886-9383
    Keywords: PLS ; Prediction error ; Background constituents ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A modification of a technique proposed by Lorber and Kowalski for the estimation of prediction errors is presented. The method is applied to five data sets. The results show that for some data sets the estimated prediction errors are close to the actual prediction errors for samples within the calibration range, while samples outside the calibration range must be background corrected before quantification of the prediction error.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060403
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  • 7
    Electronic Resource
    Electronic Resource
    MARS: A tutorial (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 199-216 
    Details
    ISSN: 0886-9383
    Keywords: MARS ; Splines ; Multivariate calibration ; Non-linear ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This tutorial paper presents a simplified view of one of the more recently published multivariate calibration methods particularly suited to dealing with non-linear data sets. The method is referred to as MARS and stands for multivariate adaptive regression splines. Simple examples are provided to explain the workings of the method.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060405
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  • 8
    Electronic Resource
    Electronic Resource
    Data analysis with minimal assumptions (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 247-255 
    Details
    ISSN: 0886-9383
    Keywords: Analysis of variance ; Assumptions ; Graphics ; Models ; Validation of model ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The computer has made it possible to scrutinize data rapidly by means of graphics. This should be done prior to the application of any model to the data, since the model must be validated before using it as a means of analyzing the data. The procedure is illustrated in terms of two examples of real experimental data.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060504
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  • 9
    Electronic Resource
    Electronic Resource
    Design and optimization in organic synthesis, Rolf Carlson, Elsevier, Amsterdam ISBN 0-444-89201-X, No. of pages: 552, price: 330 f1 (1992) (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 284-285 
    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.1180060508
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  • 10
    Electronic Resource
    Electronic Resource
    Quadratic PLS regression (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 307-334 
    Details
    ISSN: 0886-9383
    Keywords: Non-linear PLS ; Quadratic regression ; Non-linear models ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We treat here an extension of linear PLS regression to include regression on quadratic PLS components. The quadratic regression can be viewed as a natural extention of linear PLS regression to quadratic PLS according to the H-principle of mathematical modelling. The numerical implementation is treated in detail. It is shown that this approach can be used for models with large numbers of variables. Some modelling strategies are discussed depending on the purpose of the modelling. Applications of this approach are treated.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060603
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  • 11
    Electronic Resource
    Electronic Resource
    Software Review (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 357-357 
    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.1180060606
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  • 12
    Electronic Resource
    Electronic Resource
    Chemometrics: Applications of mathematics and statistics to laboratory systems, R. G. Brereton, Ellis Horwood, Chichester, ISBN-0-13-131350-9, 307 pp., £54.50, (1990) (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 228-228 
    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.1180060408
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  • 13
    Electronic Resource
    Electronic Resource
    Diary (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. i 
    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.1180060502
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  • 14
    Electronic Resource
    Electronic Resource
    On the integration of kinetic models using a high-order taylor series method (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 231-246 
    Details
    ISSN: 0886-9383
    Keywords: Integration methods ; Taylor series method ; Optimization methods ; Kinetic mechanisms ; Kinetic determinations ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A general equation to derive kinetic models up to any order is given. This equation greatly facilitates the application of the Taylor series method to the integration of kinetic models up to very high orders. When dealing with non-stiff models, computing time is always reduced by increasing the integration order, at least up to the 20th order. When the model is stiff, the integration order should be optimized; however, a twelfth order is recommended to integrate weakly stiff models. The use of an algorithm which permits the immediate calculation of the integration step size required to maintain a given accuracy leads to further reductions in computing time. When implemented as recommended here, a high-order Taylor series method is more rapid and accurate than Runge-Kutta and predictor-corrector methods and can be advantageously used in combination with optimization methods to perform mechanism studies and in multicomponent kinetic determinations.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060503
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  • 15
    Electronic Resource
    Electronic Resource
    Three-dimensional chemical structure handling, Peter Willett, Research Studies Press, Taunton, Somerset, UK, 1991, ISBN 00 86380 121 8 (Wiley Inc. 0 471 93108 X), 241 pp (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 283-284 
    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.1180060507
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  • 16
    Electronic Resource
    Electronic Resource
    A review of three-dimensional chemical structure retrieval systems (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 289-305 
    Details
    ISSN: 0886-9383
    Keywords: Chemical structure database ; Conformational searching ; Similarity searching ; Substructure searching ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper presents a review of the rapid developments that have taken place over the last few years for the searching of databases of three-dimensional (3D) molecules. The geometric arrangement of the atoms in a 3D molecule is described by an interatomic distance matrix. This is a form of labelled graph that can thus be searched using the subgraph-isomorphism algorithms that are widely used for searching databases of two-dimensional (2D) molecules. Several in-house and commercial systems have been developed for 3D database searching that are based on such techniques. These systems are reviewed and their effectiveness demonstrated by examples of their use in the discovery of novel, biologically active molecules. Current systems represent a molecule by one or a small number of low-energy conformations and there is hence much interest in the development of representational techniques and searching algorithms that account for the full set of geometric arrangements that can be adopted by a flexible molecule.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060602
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  • 17
    Electronic Resource
    Electronic Resource
    Window factor analysis: Theoretical derivation and application to flow injection analysis data (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 29-40 
    Details
    ISSN: 0886-9383
    Keywords: Factor analysis ; Window factor analysis ; Multicomponent analysis ; Flow injection analysis ; Self-modeling curve resolution ; Bismuth chloride complexes ; 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 method for extracting the concentration profiles of individual components from evolutionary processes such as flow injection, chromatography, titrations and reaction kinetics. The method takes advantage of the fact that each component lies in a specific region along the evolutionary axis, called the window. Theoretical equations are derived. The method is used to extract the concentration profiles and spectra of seven bismuth species from data obtained by Gemperline and Hamilton, who injected bismuth perchlorate into a flowing stream of hydrochloric acid.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060104
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  • 18
    Electronic Resource
    Electronic Resource
    The relationship of closure, mean centering and matrix rank interpretation (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 57-62 
    Details
    ISSN: 0886-9383
    Keywords: Closure ; Baseline ; Mean centering ; Rank ; Exploratory data analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper describes an investigation into the relationship of closure, a baseline offset and mean centering to the interpretation of matrix rank. The equivalence of a certain type of closure to a constant baseline (i.e. a simple numerical offset which may vary between response channels but is constant over all samples) is demonstrated. A systematic approach to the interpretation of the rank of a matrix is given.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060106
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  • 19
    Electronic Resource
    Electronic Resource
    Ranking principal components to reflect group structure (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 97-102 
    Details
    ISSN: 0886-9383
    Keywords: Between-group variances ; Canonical variate criterion ; Eigenvalues ; Eigenvectors ; Orthogonal projection ; Within-group variance ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Canonical variate analysis is the appropriate descriptive technique for multivariate data which have an a priori group structure, but problems arise with this technique when there are more variables than within-group degrees of freedom because of singularity of matrices. In such cases it is shown through illustrative examples that principal component analysis is a viable substitute provided that the principal components are ranked according to the canonical variate criterion (ratio- of between- to within-group variances) rather than the usual criterion of total variance. This ranking can also be used to select components for subsequent discriminant analysis.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060207
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  • 20
    Electronic Resource
    Electronic Resource
    Masthead (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992) 
    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.1180060301
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  • 21
    Electronic Resource
    Electronic Resource
    Classification of mass spectra (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 119-133 
    Details
    ISSN: 0886-9383
    Keywords: Mass spectra ; Classification ; Structure description ; Fragmentation ; Ion series ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In order to investigate correlations between the functionality of compounds and the classification of their mass spectra, low-resolution spectra of monofunctional compounds have been classified by four supervised classification methods. The new classes are characterized by structural features and the correlation between functionality and classification is explained by fragmentation rules. Systematic misclassifications show that low-resolution mass spectra alone are not suitable for reliable identification of functionality.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060304
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  • 22
    Electronic Resource
    Electronic Resource
    The chemometrics group, University of Bergen, Norway (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 113-116 
    Details
    ISSN: 0886-9383
    Keywords: 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/cem.1180060209
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  • 23
    Electronic Resource
    Electronic Resource
    In memoriam: Herman Wold, pioneer of PLS (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 117-118 
    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.1180060303
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  • 24
    Electronic Resource
    Electronic Resource
    Wavelength selection in multicomponent near-infrared calibration (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 151-161 
    Details
    ISSN: 0886-9383
    Keywords: NIR spectroscopy ; Wavelength selection ; Interaction effects ; Multicomponent mixtures ; Partial least squares ; Generalized least squares ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Modern scanning (near-)infrared reflectance/absorption (NIR) spectroscopes measure the absorptions or reflectances at a sequence of around 1000 wavelengths. Training data may consist of 10-100 carefully designed sample mixtures for which the true composition of the mixture is either known by formulation or accurately determined by wet chemistry. In future one wishes to predict the true composition from the spectrum. In this paper we compare a simple wavelength selection approach with methods which retain all the wavelengths. It offers a powerful yet simple technique for choosing those wavelengths that are specific to each pure component as against the other components (including the medium) for the varying compositions. In the presence of a defined range of ingredients in thus chooses wavelengths which are highly selective for each particular component. It has the added advantage of selecting wavelengths which are little effected by interaction effects and consequent non-linearities.The calibration data used consist of 125 observations of three sugars, each varying at five levels in a full 53 design. The validation set consists of 21 further samples specially selected to have compositions outside the range of the training sample. The selection methods perform much better on this prediction set than methods which retain all the wavelengths, 700 in this case. The leave-one-out cross-validation internal to the calibration data would point to the opposite finding and suggests that such crossvalidations may be overly flattering to techniques such as partial least squares and may encourage overfitting. After selection, simple straightforward least squares methods may be used, eschewing the need for ‘shrinkage’ methods such as partial least squares or ridge regression.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060306
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  • 25
    Electronic Resource
    Electronic Resource
    Which principal components to utilize for principal component regression (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 217-225 
    Details
    ISSN: 0886-9383
    Keywords: Principal component regression ; Calibration ; Optimality ; Principal component selection ; Quantitative structure-activity relationship ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Principal components (PCs) for principal component regression (PCR) have historically been selected from the top down for a reliable predictive model. That is, the PCs are arranged in a list starting with the most informative (PC associated with the largest singular value) and proceeding to the least informative (PC associated with the smallest singular value). PCs are then chosen starting at the top of this list. This paper discusses an alternative procedure of treating PC selection as an optimization problem. Specifically, without any regard to the ordering, the optimal subset of PCs for an acceptable predictive model is desired. Five data sets are analyzed using the conventional and alternative approaches. Two data sets are spectroscopic in nature, two data sets deal with quantitative structure-activity relationships (QSARs) and one data set is concerned with modeling. All five data sets confirm that selection of a subset without consideration to order secures the best results with PCR. One data set is also compared using partial least squares 1.
    Additional Material: 7 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060406
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  • 26
    Electronic Resource
    Electronic Resource
    Software news (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 229-229 
    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.1180060409
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  • 27
    Electronic Resource
    Electronic Resource
    Masthead (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992) 
    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.1180060501
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  • 28
    Electronic Resource
    Electronic Resource
    Genetic algorithms as a strategy for feature selection (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 267-281 
    Details
    ISSN: 0886-9383
    Keywords: Genetic algorithms ; Feature selection ; Multivariate analysis ; Optimization methods ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Genetic algorithms have been created as an optimization strategy to be used especially when complex response surfaces do not allow the use of better-known methods (simplex, experimental design techniques, etc.). This paper shows that these algorithms, conveniently modified, can also be a valuable tool in solving the feature selection problem. The subsets of variables selected by genetic algorithms are generally more efficient than those obtained by classical methods of feature selection, since they can produce a better result by using a lower number of features.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060506
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    Electronic Resource
    Electronic Resource
    Masthead (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992) 
    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.1180060601
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  • 30
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    Predictive ability of regression models. Part II: Selection of the best predictive PLS model (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 347-356 
    Details
    ISSN: 0886-9383
    Keywords: GOLPE ; PLS ; Regression ; SDEP ; Variable selection ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A procedure called GOLPE is suggested in order to detect those variables which increase the predictivity of PLS models. The procedure is based on evaluating the predictive power of a number of PLS models built by different combinations of variables selected according to a factorial design strategy. Examples are given of the efficiency of this variable selection procedure, which shows how these predictive PLS models are better than those obtained by all variables and better than the corresponding ordinary regression models.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060605
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  • 31
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    Simple validatory tools for judging the predictive performance of parafac and three-way PLS (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 11-28 
    Details
    ISSN: 0886-9383
    Keywords: Three-way PLS ; PARAFAC ; Unfolding ; Validatory tools ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The methods PARAFAC and three-way PLS are compared with respect to their ability to predict reversed-phase retention values. Special attention is paid to simple validatory tools, the meaning and use of which are explained.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060103
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  • 32
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    Principal variations in the chemical composition of peat: Predictive peat scales based on multivariate strategies (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 41-56 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The principal properties, here called the ρ-scales, of peat have been calculated on the basis of chemical analysis. The scales were derived from quantitative contents of carbohydrates, Klason lignin, amino acids, amino sugars and conventional chemical peat measurements. The variation in the chemical parameters was compressed using principal component analysis (PCA). Partial least squares (PLS) regression was used for prediction of botanical, microbial, physical and dewatering data. A rapid estimation of the scales has been made from near-infrared (NIR) spectroscopy and offers, indirectly, rapidly obtainable, chemically interpretable, biological information. A reduced scale based on carbohydrate data was also tested. The ρ-scales offer an interface between different areas of peat research. Strategies are outlined for the selection of a subset of chemical measurements among the variables used for characterization. A multivariate strategy based on these ideas is discussed.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060105
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  • 33
    Electronic Resource
    Electronic Resource
    Masthead (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992) 
    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.1180060201
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  • 34
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    Diary (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. i 
    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.1180060202
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  • 35
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    Editorial (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 63-64 
    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.1180060204
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  • 36
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    Computer-generated multicomponent calibration designs for optimal analysis sample predictions (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 85-96 
    Details
    ISSN: 0886-9383
    Keywords: Optimization ; Calibration ; Simulated annealing ; Experimental design ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper utilizes variable step size generalized simulated annealing (VSGSA) to design multicomponent calibration samples for spectroscopic data. VSGSA is an optimization procedure which is capable of converging to exact positions of global optima located on multidimensional continuous functions. On the basis of analysis sample response vectors, optimally designed calibration concentration matrices are obtained assuming knowledge of components present. The complexity of response surfaces established by the optimization criteria is described.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060206
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  • 37
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    The effect of mean centering on prediction in multivariate calibration (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 103-111 
    Details
    ISSN: 0886-9383
    Keywords: Mean centering ; Preprocessing ; Multivariate calibration ; Error propagation ; Principal component regression (PCR) ; Partial least squares (PLS) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Traditionally, one form of preprocessing in multivariate calibration methods such as principal component regression and partial least squares is mean centering the independent variables (responses) and the dependent variables (concentrations). However, upon examination of the statistical issue of error propagation in multivariate calibration, it was found that mean centering is not advised for some data structures. In this paper it is shown that for response data which (i) vary linearly with concentration, (ii) have no baseline (when there is a component with a non-zero response that does not change in concentration) and (iii) have no closure in the concentrations (for each sample the concentrations of all components add to a constant, e.g. 100%) it is better not to mean center the calibration data. That is, the prediction errors as evaluated by a root mean square error statistic will be smaller for a model made with the raw data than a model made with mean-centered data. With simulated data relative improvements ranging from 1% to 13% were observed depending on the amount of error in the calibration concentrations and responses.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060208
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  • 38
    Electronic Resource
    Electronic Resource
    Diary (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. i 
    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.1180060302
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  • 39
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    Multivariate analysis of 2D surfaces: Folding and interpretation (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 135-150 
    Details
    ISSN: 0886-9383
    Keywords: 2D surface ; Multivariate analysis ; Non-congruent ; Unfolding ; Folding ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The use of latent variable projection for analysis of non-congruent 2D surfaces is presented. We give a formal description of the folding/unfolding process. A simulated 2D oscillator evolving in time is studied in detail to illustrate interpretation aspects of the method.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060305
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  • 40
    Electronic Resource
    Electronic Resource
    Masthead (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992) 
    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.1180060401
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  • 41
    Electronic Resource
    Electronic Resource
    Diary (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. i 
    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.1180060402
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  • 42
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    Electronic Resource
    A robust PLS procedure (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 189-198 
    Details
    ISSN: 0886-9383
    Keywords: Robust regression ; Partial least squares ; QSAR ; Perturbation study ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A robust partial least squares (PLS) regression algorithm is developed. This is achieved by substitution of the univariate regression steps in the iterative PLS2 algorithm by a robust alternative. The angle between loading vectors from both perturbed and unperturbed solutions is used as a measure of robustness. By means of a perturbation study on a structure-activity data set, it is demonstrated that the stability of the robust method is superior to standard PLS.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060404
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    Sequential simplex optimization, Fredrick H. Walters, Lloyd R. Parker Jr., Stephen L. Morgan and Stanley N. Deming, CRC Press, Boca Raton, FL, 1991, 325 pages, ISBN-8493-5894-9, $49.95 (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 227-227 
    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.1180060407
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  • 44
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    Electronic Resource
    Weighted analysis of principal components: Two approximations to statistical weightsPart of the Master of Science Thesis by D.P. (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 257-266 
    Details
    ISSN: 0886-9383
    Keywords: Principal factor analysis ; Factor analysis ; Eigenvalue analysis ; Multivariate analysis ; Weighted factor analysis ; Procrustean analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Two approximate methods for weighted principal components analysis (WPCA) were devised and tested in numerical experiments using either empirical variances (obtained from replicated data) or assumed variances (derived from unreplicated data). In the first (‘spherical’) approximation each data vector was assigned a weight proportional to the geometrical mean of its variances in all dimensions. The arithmetical mean of variances was used instead in the other approximation. Both the numerical experiments with artificial data containing random errors of various kinds (constant, proportional, constant plus proportional, Poisson) and the analysis of two sets of Raman spectra clearly indicated the necessity of introducing statistical weights. The spherical approximation was found to be slightly better than the arithmetical one. The application of statistical weighting was found to improve the performance of PCA in estimation problems.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060505
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    Electronic Resource
    Artificial intelligence in chemistry: Structure elucidation and simulation of organic reactions, Zdzislaw Hippe, Elsevier Science Publishers, Amsterdam, 1991, ISBN 0-444-98746-0 (Vol. 73), 278 pp., Price 240 f1 (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 286-287 
    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.1180060509
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    Predictive ability of regression models. Part I: Standard deviation of prediction errors (SDEP)Presented in part at the Euchem Conference held in Trieste, 1988, and at the Symposium on Chemometrics held in Holmsund, 1989. (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 335-346 
    Details
    ISSN: 0886-9383
    Keywords: Predictive ability ; Regression ; PLS ; SDEP ; Cross-validation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The standard deviation of prediction errors (SDEP) is used to evaluate and compare the predictive ability of some regression models, namely MLR, ACE and linear and non-linear PLS, the last being the best one. The parameter is determined by a cross-validation approach as an average of several runs obtained on forming groups in a random way. The variation in SDEP with the number of latent variables in PLS is also discussed.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060604
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  • 47
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    Electronic Resource
    Simulation of a class of multiprocessor machines (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 275-288 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: This paper presents the simulation of a class of MIMD systems using discrete-event simulation enhanced by graphics-oriented reporting. MIMD systems can be specified, modelled and simulated using the package and in turn provide estimates of certain performance indices. A multiserver queueing model is constructed to describe the flow of data and instructions through the various elements of the system. The model is composed of P processors sharing M memory modules through a user-defined interconnection network. Graphical outputs allow the user to view the state of every processor/memory module over the simulation time with performance estimates such as the relative speedup, throughput, and utilization factor. Moreover, system performance graphs as a function of various system parameters are obtained to indicate the expected system behaviour for various loads and system configurations. The results section shows a case study of the influence of the memory modules' access time on the system performance. The purpose of the results is to aid in the analysis, understanding, design, and performance prediction of a class of MIMD systems in a user-friendly environment.
    Additional Material: 15 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050408
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    Electronic Resource
    Computational models for laminated magnetic materials (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 83-92 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: The permeability tensor of the homogeneous bulk material externally equivalent to a laminated packet of non-linear, anisotropic, non-hysteretic sheets is derived by symbolic computation. The composite permeability bears a surprisingly simple algebraic relationship to the local permeabilities of its component materials even in the general case. Several special cases of common interest, where the tensor permeability assumes symmetric or diagonal form, are examined. Results are presented both as algebraic expressions and as brief optimized Fortran subroutines suitable for fitting into field analysis programs.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050203
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  • 49
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    Electronic Resource
    Transient response of lossy transmission lines with arbitrary loads (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 111-120 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: In this paper, the method of transmission-line modelling is used to determine the transient response of a lossy transmission line. Non-linearity and frequency-dependent parameters (R and G) can be included without undue difficulty. Several numerical examples are described and are compared with exact and/or experimental results. In all cases good agreements are obtained.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050205
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  • 50
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    Electronic Resource
    The electromagnetic wave simulator - A dynamic visual electromagnetics laboratory based on the two-dimensional TLM method. W. J. R. Hoefer and P. P. M. So, John Wiley and Sons, 1991, 165 pp. Price £45. ISBN: 0 471 93075 X. (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 139-139 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050208
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  • 51
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    Electronic Resource
    Discrete modelling of transport processes in two spatial dimensions (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 121-127 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: A random flight model of linear transport processes in two spatial dimensions is considered and solved exactly in closed algebraic form. Its one-dimensional version had been proposed by Taitel as a means to overcome the paradox of infinite speed of propagation within classical heat diffusion theory. The connection with hyperbolic diffusion theory is complemented here by deriving the discrete fluxes and their relaxation term. Moreover, such an approach circumvents the discretization of a continuum model for an intrinsically discrete process, when diffusion processes are to be solved numerically. Finite samples are treated by means of the reflection method. Some applications of these general results are mentioned.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050206
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  • 52
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    Modeling in the time domain: Discrete and discreet - a Poem (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 143-144 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050303
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  • 53
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    Radiation and scattering of transient electromagnetic fields (invited paper) (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 149-161 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Under wideband and especially ultrawideband (short pulse) excitation, the electromagnetic fields, after encounters with a propagation or scattering environment, reveal features which range from highly resolved spikes or dips to smooth oscillations at early and late observation times, respectively. Time-domain (TD) analytic modelling should be structured around wave objects which relate features (observables) in data to distinct features in the environment. A strategy to this end, named observable-based parametrization (OBP), is proposed here. The rules are learned from frequency- and time-domain asymptotics applies to spatial and spectral domain representations of tractable prototype problems. This leads to self-consistent hybrid combinations OBP-TD travelling (wavefront) and oscillatory (resonant) synthesizing basis fields; the latter include novel TD leaky modes for guiding wave channels and TD Bragg modes for periodic arrays. These concepts are illustrated by examples.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050305
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    Multidimensional wave digital filters for discrete-time modelling of Maxwell's equations (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 183-201 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: An approach for numerically integrating the partial differential equations describing passive physical systems consists in modelling the continuous-domain physical system by means of a passive discrete-domain system. As has recently been shown, this can be achieved, in particular also for Maxwell's equations, by means of the same principles as known from multidimensional wave digital filters, which offers a number of important advantages. The present paper deals specifically with the application of the approach to Maxwell's equations and supplements corresponding results previously published.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050307
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    Parallel implementation of cellular systems for numerical modelling (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 203-218 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: There is an increasing interest in the numerical modelling of physical and biological processes using cellular automata or cellular systems. One of the main advantages in using the concept of cellular systems is the inherent high degree of parallelism. The purpose of the contribution is to formally relate two different areas: time-domain modelling of physical processes using cellular systems and massive parallel implementations. At first, an overview of applications of cellular systems in computation theory and in modelling of physical systems and an overview of implementations of cellular systems is given. The subsequent sections address the following two questions: (1) Which class of algorithms can be interpreted as cellular systems. (2) Can cellular systems be efficiently simulated on a given parallel architecture. Results concerning these issues are presented.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050308
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    Finite difference time-domain simulation of electromagnetic fields and microwave circuits (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 163-182 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: An overview is given on the application of finite difference time-domain analysis techniques to the simulation of electromagnetic wave phenomena and the design of planar microwave integrated circuits. In particular the application to the analysis of three-dimensional discontinuities in coplanar microwave circuits is described and numerical and experimental results are presented. Finally the design of planar microwave circuits containing non-linear active components using the finite difference time-domain method in combination with a harmonic balance technique is demonstrated using an example of a LUFET circuit.
    Additional Material: 17 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050306
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    Masthead (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992) 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050401
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  • 58
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    Editor'note (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. i 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050402
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  • 59
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    Implementation of timestep changes in transmission-line matrix diffusion modelling (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 251-257 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: This paper details general expressions for implementing timestep transformations in transmission-line matrix (TLM) modelling of diffusion processes. The expressions can be conveniently incorporated into any TLM routine which models multidimensional problems using a variable meshing technique.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050406
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  • 60
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    A companion macromodelling approach for the transient analysis of MOS large-scale integrated circuits (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 227-243 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Purpose of this work is to present a new macromodelling approach for the simulation at the device level of large MOS integrated circuits, requiring only marginal modifications to be implemented in the widely used circuit simulator SPICE. This method results in a substantial saving in computing time and guarantees the same accuracy of SPICE. A prototype simulator based on this method has been developed and used to analyse several significant circuits. In addition, since the method is particularly suitable to be implemented in parallel computers, some results obtained with the CRAY-YMP/432 computer are provided.
    Additional Material: 16 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050404
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  • 61
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    Application of an efficient algorithm for solving the one-band effective mass equation self-consistently in the modelling of some low-dimensional structure devices (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 23-39 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: An efficient algorithm is presented for the self-consistent numerical solution of the single-band effective mass equation. This algorithm has a different form depending on whether the effective mass is modelled as continuous or piecewise continuous. Coupled with a Poisson solver, an established algorithm is applied for the attainment of self-consistency. The rate of convergence to a self-consistent solution is investigated, and the solvers are applied to three different structures to demonstrate its versatility and robustness. The first of these is a nominally undoped quantum well AlGaAs/GaAs heterostructure, the second a doubly δ-doped GaAs homostructure and lastly a quasi-square well modulation-doped field effect transistor. The algorithm is of sufficient efficiency so as to allow the software to run reasonably quickly on a modern microcomputer.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050105
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  • 62
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    Masthead (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992) 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050201
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  • 63
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    Masthead (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992) 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050101
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  • 64
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    Hydrodynamic simulation of electron heating in conventional and lightly-doped-drain MOSFETs with application to substrate current calculation (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 53-66 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: This paper reviews the state of the art in hydrodynamic simulation of hot-carrier transport in semiconductor devices with application to MOSFET substrate current calculation. Hydrodynamic equations for semiconductors and derived and discretized expressions of these equations for device simulation are presented. Special attention has been given to the discretization of the input power term that appears in the energy conservation equation. A new discretization method for the input power term, based on power generation consideration, is proposed. Energy-based physical models for mobility and impact ionization are described for use in hydrodynamic simulation. Simulation results for both conventional and lightly-doped-drain MOSFETs are presented.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050107
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  • 65
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    A space-domain preconditioned spectral method for non-linear boundary value problems (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 67-81 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: A novel spectral procedure for the numerical solution of non-linear boundary value problems is presented. The discrete spectral equations are solved by an iterative algorithm using space-domain preconditioning. The preconditioning operator is obtained by spatial weighting (or windowing) of the exact differential operator.Convergence behaviour of the iterative solution is investigated using an eigenvalue analysis. Theoretical estimates for the convergence rate and accuracy are compared with that achieved in a numerical application - a non-linear boundary value problem from semiconductor device modelling.The method combines the infinite-order exponential accuracy of spectral discretizations with the sparse structure of finite difference equations. This offers numerical advantages in comparison to previously developed Fourier-Galerkin algorithms, particularly important for physically ill-conditioned and strongly non-linear problems. The tradeoff of achievable accuracy versus computer time is easily controlled, thus making essential speed-ups possible for moderate accuracy requirements.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050202
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  • 66
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    Application of the TLM method to two-dimensional scattering problems (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 93-110 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: In this paper the application of the TLM method to electromagnetic scattering problems is investigated. To achieve the full computational benefits of using a time-domain numerical method, pulse excitation can be applied together with Fourier transformation of an output impulse response to yield frequency-domain results over a wide bandwidth. The configuration of the mesh is the same as that used in FD-TD scattering simulations (i.e., separation of the simulation space into total and scattered field regions). To terminate the exterior boundaries of the mesh, absorbing boundary conditions are applied to absorb the outward travelling waves. The effect of the absorbing boundaries on both time- and frequency-domain results is investigated. Frequency-domain scattered far-field patterns are presented for perfectly conducting square and circular cylinders illuminated by an incident plane wave (TM case). Forward and back scattering cross-section results obtained from a single TLM simulation indicate both the accuracy and efficiency of the method for calculating frequency-domain results over a wide bandwidth.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050204
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  • 67
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    An error parameter in TLM diffusion modelling (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 129-137 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: This paper reports the results of a study of an error parameter, m, which has been proposed as a measure for determining the effects on accuracy of the basic assumptions upon which TLM modelling of diffusion and heat flow has been founded. The nature of the m parameter is studied in detail by using a two-dimensional thermal diffusion problem. The use of m in the implementation of automatic timestepping is discussed in a practical three-dimensional engineering problem.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050207
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  • 68
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    Masthead (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992) 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050301
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  • 69
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    Editorial (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 141-141 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050302
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  • 70
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    Panel discussion and open forum (closing session) summary report (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 145-147 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050304
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  • 71
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    TLM modelling of diffusion, drift and recombination of charge carriers in semiconductors (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 219-225 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: The paper provides an extension to the one-dimensional TLM diffusion model. The extended diffusion node presented here models the exact transport equation with diffusion drift and recombination of charge carriers in semiconductors. A general algorithm for providing a numerical solution to the transport phenomena is also presented here. The analytical solution for infinitely long semiconductors is compared with the TLM numerical results.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050403
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  • 72
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    A note on the computational storage in the subsectional basis function approach to the method of moments (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 245-250 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: In order to efficiently store the information of a special class of matrices, a very useful algorithm has been derived and applied to the subsectional basis function approach to the method of moments. The algorithm represents a simple law of mapping and allows a reduction in the required computational storage by several orders of magnitude.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050405
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  • 73
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    Numerical analysis of waveguide apertures radiating into lossy media (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 259-274 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Three numerical methods are applied to the analysis of a rectangular waveguide-fed aperture radiating into a lossy media. A novel approach, the finite element method with an impedance boundary condition, and two established methods, the moment method and the mode-matching method, are presented. The methods are compared with respect to accuracy, execution time, memory requirement, and versatility. Four aperture geometries are chosen for detailed study: the full aperture of the rectangular waveguide, and three reduced apertures. The reflection coefficient of the aperture in contact with five known dielectrics is calculated in the frequency range 8·5-11·5 GHz. The theoretical results are validated by measurements performed on an HP8510 network analyser.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050407
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  • 74
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    The use of transmission-line modelling (TLM) for the solution of heat diffusion in electric fuses (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 289-295 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: This paper describes an application of transmission-line modelling (TLM) for the solution of heat diffusion in a three-dimensional metallic structure, surrounded by a dielectric material. The example of heat propagation along an electric fuse embedded in granular silica is presented. Heat is generated by the flow of an electric current through the metallic element and results are shown for the variation of temperature with time and temperature distribution along the fuse element.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050409
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  • 75
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    Large signal periodic time-domain simulation (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 11-21 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: A novel algorithm has been implemented within our new semiconductor device simulation program TESSA that allows large signal periodic time-domain simulation to be performed by integrating over just one period of the excitation. Conventionally the need to integrate out initial transients, over many cycles, had effectively made such simulations impracticable. The algorithm can also be implemented in the field of circuit simulation so a combined large signal circuit/device simulation package is now a practical possibility.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050104
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  • 76
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    Time-domain numerical modelling of microwave non-linear circuits (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 41-52 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: A numerical time-domain modelling of non-linear microwave circuits is presented. It is based on a numerical procedure allowing the solution of the integro-differential equation driving the instantaneous electrical behaviour of a lumped-element circuit while accounting for the semiconductor device by means of an accurate numerical macroscopic model. This modelling is firstly validated by studying the DC turn-on and DC forward-reverse commutation of a PIN diode. The diode voltage and current waveform are qualitatively consistent with experimental ones, Moreover, the predicted recovery time values are found to be in good agreement with those issued from the classical analytical theory. Secondly, in order to illustrate the present capabilities of the model, the whole transient response of a back-to-back silicon PIN diode passive power limiter to a high-input-RF-power pulse is described. It is demonstrated that in the present case of a 2 μm-long PIN diode, the high-input-power steady-state operation only relies on one diode. To our knowledge, it is the first time this kind of simulation is applied to a two-diode circuit.
    Additional Material: 8 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050106
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  • 77
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    Editorial (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 1-1 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050102
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  • 78
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    Numerical modelling of hot electron transport in A graded heterojunction diode (1992)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 5 (1992), S. 3-9 
    Details
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: A detailed one-dimensional energy transport model for unipolar GaAs/AlGaAs heterojunction structures is implemented, by extending the basic transport equations to include the energy balance equation for electrons. A non-uniform grid-mesh is used to obtain short simulation times, while the grid-distance at the N-n++ interface is small, which is essential to obtain a low reverse current.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jnm.1660050103
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  • 79
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    Chemiluminescence detection in capillary electrophoresis (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 133-135 
    Details
    ISSN: 0935-6304
    Keywords: Capillary electrophoresis ; Chemiluminescence ; Luminol ; Photon counting ; 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.1240150218
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  • 80
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    Optimization of an electrolytic conductivity detector for determination of toxic nitrogen-containing food contaminants separated by open tubular column gas chromatography (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 124-127 
    Details
    ISSN: 0935-6304
    Keywords: Electrolytic conductivity detection ; Nitrogen-mode optimization ; Open tubular columns ; Food contaminants ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The combination of open tubular column gas chromatography with electrolytic conductivity detection has been evaluated for the determination of nitrogen-containing pesticide residues in food extracts. Optimization of the column position at the column-detector interface was crucial to the successful operation of the detector. The signal-to-noise ratio and response stability of the detector are greatly influenced by the composition of the electrolyte solvent. Large volume splitless injections using retention gaps and optimized detector operating conditions enabled pesticide residues in food extracts to be determined at sub parts-per-million levels. Although the electrolytic conductivity detector is less sensitive than the thermionic ionization detector, its greater nitrogen selectivity can he crucial to the determination of nitrogen-containing contaminants in food extracts, particularly in complex mixtures where phosphorus-containing contaminants or matrix compounds are also present.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240150213
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  • 81
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    Analysis of carbohydrates by HPLC with post-column derivatization (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 24-29 
    Details
    ISSN: 0935-6304
    Keywords: Carbohydrate analysis ; Oligosaccharides ; Post-column derivatization ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Post-column derivatization of oligosaccharides after HPLC separation with a variety of systems has been achieved either by reaction with thymol in concentrated sulfuric acid or after hydrolysis of saccharides with hydrochloric acid and derivatization of the resulting monosaccharides with p-aminobenzoic acid hydrazide. With both reactions the detection of reducing and non-reducing sugars is possible even at trace levels. The latter reaction, despite the two reaction steps required, is much more convenient and practical, whereas with the first reaction it is also possible to determine alkylpolyglucosides.
    Additional Material: 11 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240150107
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    Determination of the ionization constants of weak electrolytes by capillary zone electrophoresis (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 30-32 
    Details
    ISSN: 0935-6304
    Keywords: Capillary zone electrophoresis ; Ionization constants ; Aromatic amines ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Capillary zone electrophoresis in untreated fused silica capillaries has proved suitable for the determination of the ionization constants of weak electrolytes. Several fundamental equations relating the electrophoretic mobilities of ionized solutes to hydronium ion concentrations in the running electrolyte have been verified experimentally. The observed dependence of the electrophoretic mobilities of weak bases and ampholytes on the pH of the electrolyte showed good agreement with predicted behavior. The pKa values calculated from electrophoretic mobility data obtained by capillary zone electrophoresis were reasonably close to those reported in the literature.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240150108
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    Investigation of the detection limit for the determination, by pyrolysis-capillary GC, of the thickness of ultra thin PMMA layers coated on to PET film (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 33-35 
    Details
    ISSN: 0935-6304
    Keywords: Pyrolysis-capillary GC ; Quantitative analysis ; Detection limit ; Ultra-thin layer poly(methyl methacrylate) ; Poly(ethylene terephthalate) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The determination of nanometer thick layers of poly(methyl methacrylate) coated on to the surface of poly(ethylene terephthalate) film has been investigated by high resolution pyrolysis gas chromatography without sample pretreatment or modification of the instrumentation used. A good linear relationship was observed between the quantity of the characteristic pyrolysate and the thickness of the poly(methyl methacrylate) layer; the detection limit was sufficient to enable the quantitation of poly(methyl methacrylate)-to-poly(ethylene terephthalate) film thickness ratios of 1:20000 in composite materials.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240150109
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    Prediction, optimization of separation, and identification of unknown compounds in capillary gas chromatography (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 18-23 
    Details
    ISSN: 0935-6304
    Keywords: Compound identification ; Multicomponent separation ; Retention calculation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A procedure for the identification and separation of unknown compounds by capillary gas chromatography is described. The procedure involves a live retention time database and optimization of the separation. After initial chromatography of the sample, a rough search lists all the possible compounds it might contain and the analyst then uses his experience to discard those compounds in the list which are unlikely to be present. The multi-component separation is then optimized over the whole range of defined starting temperatures and programming rates, in order to produce the best possible separation of the sample components, and the chromatography repeated using the results obtained from the optimization procedure. Further search operations within a given search window will then report the compound names, and related information, for each peak.Since the identification operation is performed at least twice during the procedure, and the optimization of the separation assists the identification by separating possibly overlapped peaks, the confidence of the qualitative analysis is higher than may be obtained using standards alone. If the reproducibility of isothermal indices measured on columns could be guaranteed, this procedure could be used instead of performing chromatography on standards of the compounds contained in the database, regardless of changes in column dimensions, phase ratio, and operating conditions in temperature programmed analysis.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240150106
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    Improving detection limits in chromatography by signal averaging (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 36-39 
    Details
    ISSN: 0935-6304
    Keywords: GC ; Signal averaging ; Detection limit ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ensemble or signal averaging has been used to increase detection limits in gas chromatography. The sample is injected several times into a gas chromatograph and the chromatograms generated are summed. The resulting chromatogram is treated as a separate chromatogram with the benefit of an improved signal-to-noise ratio. Use of the technique enables reliable quantitation, the time invested being used to convert an unacceptable signal-to-noise ratio into useful data. A discussion and some applications of the technique are described.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240150110
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    Gas chromatography in air pollution analysis. V. G. Berezkin. (A. V. Tropchiev Institute of Petrochemical Synthesis, Moscow, USSR) and Yu. S. Drugov (I. M. Gubkin Institute of Oil and Gas, Moscow, USSR) Journal of Chromatography Library, Volume 49, Elsevier, Amsterdam, New York (1991) xii + 212 pages, ISBN 0-444-98732-0, $140.00 (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 40-40 
    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.1240150111
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  • 87
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    HPLC of nucleic acid components with volatile mobile phases I. Fast nucleotide separations using ammonium carbonate and ammonium bicarbonate gradients (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 41-42 
    Details
    ISSN: 0935-6304
    Keywords: HPLC ; Ion exchange ; Volatile mobile phases ; Nucleotides ; 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.1240150112
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  • 88
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    Application of micro HPLC for the determination of methotrexate in clinical samples (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 49-51 
    Details
    ISSN: 0935-6304
    Keywords: Micro HPLC ; Methotrexate ; Clinical analysis ; 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.1240150115
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  • 89
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    Identitication of the controlled drugs propoxyphene, benzoylecgonine, and atropine by electron impact ionization capillary GC-MS (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 46-48 
    Details
    ISSN: 0935-6304
    Keywords: GC-MS ; Electron impact (EI) ; Thermal degradation ; Propoxyphene ; Benzoylecgonine ; Atropine ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240150114
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  • 90
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    Electronic Resource
    An empirical study of the gas chromatographic elution behavior of twenty one alkyl-substituted thiocarbamates (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 43-45 
    Details
    ISSN: 0935-6304
    Keywords: Elution order ; Structure and elution order ; Thiocarbamates ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240150113
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  • 91
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    Electronic Resource
    Use of the same capillary column for both sampling and gas chromatographic analysis of aqueous organic pollutants (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 51-54 
    Details
    ISSN: 0935-6304
    Keywords: Capillary GC ; Capillary column sampling ; Aqueous samples ; PAHs ; 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.1240150116
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  • 92
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    Separation of nitroaromatics by micellar electrokinetic capillary chromatography (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 198-200 
    Details
    ISSN: 0935-6304
    Keywords: Micellar electrokinetic capillary chromatography ; Capillary electrophoresis ; Nitroaromatics ; 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.1240150313
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  • 93
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    Electronic Resource
    Sample collection by a capillary zone electrophoretic system with an on-column fracture (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 201-203 
    Details
    ISSN: 0935-6304
    Keywords: Capillary zone electrophoresis ; Sample collection ; Preparative separation ; 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.1240150314
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  • 94
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    Viva PITTCON! (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 61-61 
    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.1240150202
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  • 95
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    High resolution capillary gas chromatography of aromatic compounds in multicomponent hydrocarbon mixtures (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 213-218 
    Details
    ISSN: 0935-6304
    Keywords: High resolution capillary gas chromatography (HRCGC) ; Single column capillary GC ; Isothermal and temperature programmed GC ; Analysis of multi component hydrocarbon mixtures ; One and two ring aromatic compounds ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The scope of the principal techniques employed for the analysis of hydrocarbon mixtures is discussed, with emphasis on the analysis of one and two ring aromatic compounds by single column capillary gas chromatography. The paper considers both the column and the selection of the temperature regime (isothermal and temperature programmed). Much space is devoted to the characterization of the compounds by means of retention data.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240150403
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  • 96
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    Electronic Resource
    Improvements in flame photometric detector design and operation. Determination of organophosphorus pesticide residues at low picogram levels (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 235-237 
    Details
    ISSN: 0935-6304
    Keywords: Capillary GC ; Flame photometric detection (FPD) ; Response characteristics ; Organophosphorus pesticides ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The molecular emission of heteroelements such as phosphorus and sulfur is the basis of the selective response of the flame photometric detector. The behavior of the FPD towards phosphorus compounds has been studied and design improvements sought with regard to burner configuration and temperature distribution. The possibility of differentiating between compounds containing phosphorus atoms and those containing both phosphorus and sulfur atoms has also been examined.Detection limits and response characteristics have been reported for organophosphorus pesticide residues in samples of natural origin
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240150406
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  • 97
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    Separation of highly unsaturated triacylglycerols by reversed phase HPLC with short wavelength UV detection (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 219-226 
    Details
    ISSN: 0935-6304
    Keywords: HPLC ; Triacylglycerols (triglycerides) ; Oenothera ; Borago ; Ribes ; Primula ; Sapium ; γ-Linolenic acid (18:3 ω 6) [506-26-3] ; Estolides ; Stillingia oil ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Reversed phase HPLC with short wavelength UV detection is a useful alternative to conventional separation systems, with RI detection, for the analysis of the triacylglycerols of highly unsaturated vegetable oils, including γ-linolenic acid-containing oils and technical drying oils.γ-Linolenic acid-containing triacylglycerols can be identified and separated from their α-linolenic analogs. The triacylglycerol fingerprints obtained by this technique from many γ-linolenic acid-containing oils and technical oils are highly characteristic, as is apparent from chromatograms obtained from the seed oils of Oenothera biennis, Borago officinalis, Ribes nigrum, Primula florindae, and Sapium sebiferum. Characteristic peak area ratios aid the identification of these oils, and estolide peaks are seen in Sapium seed kernel oils.The high detector response for triacylglycerols containing linoleate and/or linolenate residues may present additional advantages, e.g. in the detection of such triacylglycerols in olive oil.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240150404
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    Retention times of fifty one chlorobiphenyl congeners on seven narrow bore capillary columns coated with different stationary phases (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 249-255 
    Details
    ISSN: 0935-6304
    Keywords: Capillary gas chromatography ; Narrow bore columns ; Separation of chlorobiphenyl congeners ; Relative retention times ; Multidimensional gas chromatography ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Retention times of fifty one important chlorobiphenyl congeners have been determined on seven narrow bore GC columns coated with different stationary phases. The retention times of the chlorobiphenyls relative to tetrachloronaphthalene were plotted for different column combinations; the plots generated can be used to choose an optimum column combination for the multidimensional gas chromatographic separation of the chlorobiphenyls.
    Additional Material: 13 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240150409
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  • 99
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    A continuous two-phase reaction system coupled on-line with capillary chromatography for the determination of polar solutes in water (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 242-248 
    Details
    ISSN: 0935-6304
    Keywords: Capillary GC ; On-line extractive alkylation ; On-line acylation ; Carboxylic acids ; Amines ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Gas chromatographic procedures are described for the determination of carboxylic acids and chlorinated anilines in water samples.Propionic acid and 2,6-difluorobenzoic acid in aqueous solution have been simultaneously alkylated and extracted by means of a continuous two-phase reaction system, and then quantitated by on-line coupled capillary gas chromatography; tetrahexyl-ammonium hydrogen sulfate was used as phase transfer catalyst and pentafluorobenzyl bromide as reagent.A factorial design approach was used to optimize on-line derivatization of aqueous propionic acid with regard to pH and concentration of phase transfer catalyst. Alkylation and extraction, under optimized conditions, followed by quantitation of the pentafluorobenzyl ester by flame ionization detection furnished a linear calibration for concentrations between 0.1 and 10 μg/ml. The relative standard deviation was 9-15 %.The continuous two-phase reaction system was also used to determine (chlorinated) anilines present in water at concentrations of 0.1-1 μg/ml; pentafluorobenzoyl chloride was used as reagent and analysis was performed by capillary gas chromatography with flame ionization or electron capture detection. The on-line acylation of p-chloroaniline was optimized with regard to pH, reagent concentration, and reaction time.The on-line reaction system worked satisfactorily for both applications, although excess reagent caused some problems with the chromatography.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240150408
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  • 100
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    Enantiomeric separation of 1,1′-binaphthyl-2,2′-diyl hydrogen phosphate by microcolumn liquid chromatography with micellar bile acid derivatives as mobile phase additive (1992)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 15 (1992), S. 275-277 
    Details
    ISSN: 0935-6304
    Keywords: Microcolumn liquid chromatography ; Enantiomeric separation ; Micellar mobile phase ; Bile acid derivatives ; 1,1′-Binaphthyl-2,2′-diyl-hydrogen phosphate ; 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.1240150413
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