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  • 1990-1994  (2,107)
  • 1850-1859
  • 1991  (2,107)
  • Analytical Chemistry and Spectroscopy  (1,511)
  • Engineering  (596)
  • 1
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 545-545 
    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
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 129-145 
    ISSN: 0886-9383
    Keywords: Multivariate calibration ; Biased regression ; Partial least squares (PLS) ; Principal component regression (PCR) ; Model validation ; Non-linear calibration ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: With the goal of understanding global chemical processes, environmental chemists have some of the most complex sample analysis problems. Multivariate calibration is a tool that can be applied successfully in many situations where traditional univariate analyses cannot. The purpose of this paper is to review multivariate calibration, with an emphasis being placed on the developments in recent years. The inverse and classical models are discussed briefly, with the main emphasis on the biased calibration methods. Principal component regression (PCR) and partial least squares (PLS) are discussed, along with methods for quantitative and qualitative validation of the calibration models. Non-linear PCR, non-linear PLS and locally weighted regression are presented as calibration methods for non-linear data. Finally, calibration techniques using a matrix of data per sample (second-order calibration) are discussed briefly.
    Additional Material: 6 Ill.
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 147-161 
    ISSN: 0886-9383
    Keywords: Digital filtering ; Real-time analysis ; Kalman filtering ; Infrared spectroscopy ; Principal components regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Real-time monitoring of pollutant levels from a mobile measuring platform requires fast, flexible data analysis methods. This paper reports a method for rapid analysis of passive remotely sensed infrared data with the aid of a Kalman filter. The background spectra produced by emission from the atmosphere are modelled at the start of the data collection sequence with a simple principal components model obtained by eigenanalysis of the initial ‘blank’ data taken with the spectrometer. The species of interest are included in the state space model by a separate measurement of their infrared spectra. It is demonstrated that for best filter performance in detecting the simulated pollutant species SF6 in the atmosphere, a filter model with two principal components describing the emission background works best. The filter ‘maps’ of SF6 closely follow the integrated spectral intensities measured after removal of suitable backgrounds.
    Additional Material: 9 Ill.
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  • 4
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 163-179 
    ISSN: 0886-9383
    Keywords: Principal component analysis ; Factor analysis ; Chemometrics ; Exploratory data analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Principal component analysis is used to examine large multivariate databases. The graphical approach to exploratory data analysis is described and illustrated with a single example of chemical composition data obtained on environmental dust particles. While the graphical approach to exploratory data analysis has certain advantages over the numerical procedures, the empirical approach described here should be viewed as complementary to the more robust treatments that statistical methodologies afford.
    Additional Material: 8 Ill.
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  • 5
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 181-192 
    ISSN: 0886-9383
    Keywords: Chemometrics ; Systems theory ; Experimental design ; Multivariate analysis ; Measurement science ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Chemometrics is defined as the application of mathematical and statistical methods to chemical systems. Systems theory is seen to be useful for organizing and categorizing the inputs to and outputs from chemical systems. Advances in measurement science in the 1950s and 1960s, particularly in analytical chemistry, created a need for a multivariate approach to data analysis. Early chemometrics emphasized the use of structure-finding methods for existing data sets. In many instances, data sets can be obtained from designed experiments. Such data sets are more likely to contain the desired information and the data can usually be acquired at less cost. Renewed interest in statistical process control will provide many new, more robust data sets in the future.
    Additional Material: 10 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 193-199 
    ISSN: 0886-9383
    Keywords: Kalman filter ; Chemometrics ; 5-Br-PADAP ; Metallic ions ; Simultaneous spectrophotometric determination ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper describes the simultaneous determination of cobalt, nickel, copper, zinc and cadmium by spectrophotometry and the Kalman filter method. Co(II), Ni(II), Cu(II), Zn(II) and Cd(II) react with 5-bromo-2-(2-pyridylazo)-5-diethylaminophenol (5-Br-PADAP) in the presence of cationic surfactant cetyl pyridinium bromide (CPB) to form five different coloured ternary complexes. The absorption curves of these complexes overlap severely in the scanning range 500-620 nm. The Kalman filter algorithm is successfully applied to resolve the overlapped absorption curves and therefore makes the simultaneous determination of these metallic ions possible without tedious pretreatment. The proposed method is applied to analyse the titled elements in synthetic samples and in environmental samples such as hair, fingernail and river water samples with satisfactory results.
    Additional Material: 2 Ill.
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  • 7
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 201-209 
    ISSN: 0886-9383
    Keywords: Uncertainty ; Step function ; Additive model ; Transformation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An additive model is used to express the observed value of a sample characteristic as the sum of the true sample characteristic and a value of the data collection error, commonly known as experimental error. The data uncertainty of the experimental results (or of a survey data set) is defined as the expected squared error. The expected squarred error may change with the sample characteristic, e.g. the error moment could be concentration-dependent. The relationship between the error variance and the analyte concentration may not be very distinct. In such a case the data transformation to stabilize the error moments may not be appropriate. A step function is proposed as an alternative way to represent the second moment of the error. The data uncertainty is defined as the weighted average of the step values of the second raw moment of the error, using the appropriate proportions of the routine samples as weights. The data uncertainties associated with the different data collection stages were evaluated by using regional soil survey data.
    Additional Material: 3 Tab.
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  • 8
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 211-225 
    ISSN: 0886-9383
    Keywords: Shot noise ; Expectation-maximization ; Regression ; Deconvolution ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A simple algorithm for deconvolution and regression of shot-noise-limited data is illustrated in this paper. The algorithm is easily adapted to almost any model and converges to the global optimum. Multiple-component spectrum regression, spectrum deconvolution and smoothing examples are used to illustrate the algorithm. The algorithm and a method for determining uncertainties in the parameters based on the Fisher information matrix are given and illustrated with three examples. An experimental example of spectrograph grating order compensation of a diode array solar spectroradiometer is given to illustrate the use of this technique in environmental analysis. The major advantages of the EM algorithm are found to be its stability, simplicity, conservation of data magnitude and guaranteed convergence.
    Additional Material: 7 Ill.
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  • 9
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 291-298 
    ISSN: 0886-9383
    Keywords: Absorbance ratio ; Statistical confidence ; Quality control ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ratio measurements are commonly used to address a variety of analytical problems in environmental, forensic and pharmaceutical laboratories. In absorbance ratioing techniques, analytical chemists rely on the spectral features of the analyte(s) of interest. The absorbances at two wavelengths are monitored and the ratio of these two absorbances is computed. This ratio is then used to confirm the identity of the analyte(s) of interest, the purity of a product of the overlap of chromatographic peaks. These decisions often have far-reaching consequences (e.g. the identification of the source, biogenic or petrogenic, of hydrocarbons in biological tissues or water). Given the cost and the liabilities associated with such decisions, it is unfortunate that these ratios are seldom reported with any statistical confidence. The purpose of this study is to delineate the parameters that affect absorbance ratio measurements. The models that can be used to estimate the statistical confidence in these measurements are derived and evaluated experimentally. The results show that these models can estimate the relative standard deviations in absorbance ratios accurately. They can also estimate the effect of signal-to-noise ratio and the choice of wavelengths on the precision of absorbance ratios.
    Additional Material: 2 Ill.
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  • 10
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 299-308 
    ISSN: 0886-9383
    Keywords: Errors in variables ; Orthogonal regression ; Latent variables ; Acid rain ; Acidic deposition ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Techniques for testing for and estimating relative bias between two laboratories are developed and applied to a survey of the chemistry of streams in the United States. The design of the quality assurance program allows estimation of linear corrections for bias as well as testing of the hypothesis of linearity. Designs of this type are useful, but improvements are suggested.
    Additional Material: 3 Ill.
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  • 11
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 309-319 
    ISSN: 0886-9383
    Keywords: Confidence intervals ; Products of normal random variables ; Risk/exposure modeling ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In many environmental applications, such as exposure assessment and risk modelling, the desired estimate is a random variable computed as the product of three independently distributed random variables. These variables may not necessarily have the same mean and variance. The method for finding the 100(1 - α)% confidence interval for the mean of the product random variable has been proposed by some practitioners as the product of the 100(1 - α)% confidence interval of the three means. In this paper we show that the distribution of the product of three independent normal variables is not normal. We find the mean and variance of the product distribution. Further, we show that although the mean of the product is equal to the product of the means, the product of the three confidence intervals is not a good approximation of the confidence intervals for the mean of the product variable. The confidence interval of the mean of the product variable may be estimated by computer simulation. An algorithm for estimating the confidence interval for the mean of the product random variable is given. The program implementing this algorithm is given as an appendix.
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  • 12
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 321-331 
    ISSN: 0886-9383
    Keywords: Screening ; Ground-water quality ; Monitoring ; Volatile organic compounds (VOCs) ; Optimization ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is shown that the presence of 31-35 commonly measured volatile organic compounds (VOCs) in ground water can be detected with small error rates by using screening methods which analyze for a subset of such VOCs. A study of selected data sets indicates that analytical determinations of only from two to eight VOCs will suffice to detect 95% of all VOC hits. It is also shown that a serially optimal algorithm for selecting the VOCs for screening is very nearly as accurate as a globally optimal algorithm and much easier to implement. These conclusions are supported by empirical evidence from two drinking-water data sets and one hazardous waste site data set. Additional research areas are also outlined.
    Additional Material: 4 Ill.
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  • 13
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991) 
    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
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  • 14
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. i 
    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
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  • 15
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 333-343 
    ISSN: 0886-9383
    Keywords: Rank estimation ; Bootstrap resampling ; Canonical correlation ; Excitation-emission matrix ; Singular value decomposition ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Rank estimation by canonical correlation analysis in multivariate statistics has been proposed as an alternative approach for estimating the number of components in a multicomponent mixture. A methodological turning point of this new approach is that it focuses on the difference in structure rather than in magnitude in characterizing the difference between the signal and the noise. This structural difference is quantified through the analysis of canonical correlation, which is a well-established data reduction technique in multivariate statistics. Unfortunately, there is a price to be paid for having this structural difference: at least two replicate data matrices are needed to carry out the analysis.In this paper we continue to explore the potential and to extend the scope of the canonical correlation technique. In particular, we propose a bootstrap resampling method which makes it possible to perform the canonical correlation analysis on a single data matrix. Since a robust estimator is introduced to make inference about the rank, the procedure may be applied to a wide range of data without any restriction on the noise distribution. Results from real as well as simulated mixture samples indicate that when used in conjunction with this resampling method, canonical correlation analysis of a single data matrix is equally efficient as of replicate data matrices.
    Additional Material: 3 Ill.
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  • 16
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 345-360 
    ISSN: 0886-9383
    Keywords: Three-way PCA ; Three-way PLS ; PARAFAC ; Trilinear ; Unfolding ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: For the calibration of chromatographic systems, different methods can be used. One class of methods utilizes three-way approaches. The calibration problem is stated in such a way that the decomposition of a three-way array can serve for the prediction of retention on new stationary phases.Two three-way approaches are presented: the Unfold-PCA and PARAFAC models. The theory of both methods is presented and the differences are highlighted, the main difference being that PARAFAC is a trilinear decomposition whereas Unfold-PCA is not. Both three-way methods are evaluated on a small data set consisting of retention measurements of eight solutes at six mobile phase compositions on six stationary phases. The differences in performance of the two models are minor.For calibration purposes, two variants of the methods are discussed: three-way PLS and an extension of PARAFAC. Again the theory and differences between the two methods are explained. The predictive performance of the two methods is compared using the same data set as earlier. The differences in predictive performance, however, are minor. Both methods are capable of predicting 98% of the variation in the test sets. Yet, there are other considerations when comparing methods than predictive performance, e.g. the quality of the predictions.
    Additional Material: 12 Ill.
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  • 17
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    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 361-374 
    ISSN: 0886-9383
    Keywords: Closure ; Normalization ; Multivariate trimming ; Minimum distance ; Bootstrap ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Compositional data arise naturally in several branches of science, including chemistry, geology, biology, medicine, ecology and manufacturing design. In chemistry, these constrained data seem to occur typically when raw data are normalized or when output is obtained from a constrained estimation procedure, such as might be used in a source apportionment problem. It is important not only for chemists to be aware that the usual multivariate statistical techniques are not applicable to constrained data, but also to have access to appropriate techniques as they become available. The currently available methodology is due principally to Aitchison and is based on log-normal models. This paper suggests new parametric and non-parametric approaches to significantly improve the existing methodology. In the parametric setting, some recent work of Rayens and Srinivasan is extended and a practical regression model is proposed. In the development of the non-parametric approach, minimum distance methods coupled with multivariate bootstrap techniques are used to obtain point and region estimators.
    Additional Material: 5 Ill.
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  • 18
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    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 375-387 
    ISSN: 0886-9383
    Keywords: Determinant criterion ; Multiresponse non-linear fitting ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This work evaluates objective functions for multiresponse non-linear modeling using computer simulations. Tests are performed under a variety of signal-to-noise ratios and noise variance-covariance structures. The standard error of prediction for the model parameters, computed from 50 trials, is used for performance comparisons. The full rank and rank-deficient problems are considered. For the full rank problem one model was investigated, a first-order two-step consecutive reaction model, and two objective functions were considered, the total sum of squares and the determinant criterion. No distinction could be made between the two objective functions for this model.For the rank-deficient case two models were investigated, a first-order two-step consecutive reaction as in the full rank case, and a pH titration model described by the Henderson-Hasselbalch equation. Three objective functions were investigated for the rank-deficient case, the total sum of squares, a weighted total sum of squares and the determinant criterion. The total sum of squares was found to perform poorly under all conditions tested compared to the weighted total sum of squares and the determinant criterion. The determinant criterion was found to perform much better than the other two criteria when the data have a combination of a low signal-to-noise ratio and high variance-covariance noise structure.
    Additional Material: 7 Tab.
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  • 19
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 405-409 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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  • 20
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 389-403 
    ISSN: 0886-9383
    Keywords: Acoustic emission ; Pattern recognition ; Feature selection ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Features used to characterize acoustic emission signals from chemical systems are evaluated with regard to their potential for pattern recognition. Eight chemical systems involving phase transitions, hydration, dissolution and effervescence are employed and treated as separate signal classes. These are compared pairwise and the discriminatory capabilities of about 50 features are investigated by computing Fisher weights. Time domain and frequency domain descriptors are examined. Correlations among the features evaluated are also reported. Recommended descriptors are the mean and median frequencies, frequency bandwidth, number of level crossings (0% and 25%), crest factor (time and frequency domains), half-life, kurtosis and normalized percentiles of the signal and its power spectrum. The effectiveness of the recommended descriptors is demonstrated through the separation of signal classes in two different systems (melting ice and an enzyme-catalyzed gas formation reaction) by principal components analysis.
    Additional Material: 5 Ill.
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  • 21
    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
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  • 22
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 23
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 416-416 
    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
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  • 24
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991) 
    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
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  • 25
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    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. i 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 26
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 417-434 
    ISSN: 0886-9383
    Keywords: Factor analysis ; Power density distribution ; Chromatography ; Absorption spectroscopy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Evaluation of the results of factor analysis of sets of spectroscopically detected chromatograms is carried out by examining the shapes of the abstract factors. This is done either by visual inspection or by analysis of the power density spectra produced from them. Owing to constraints imposed by the column function and the spectroscopic instrument function, the information content of the chromatograms necessarily occurs at low spatial frequencies. As a consequence, it appears as relatively broad features in the abstract chromatograms and as a peak in the low-frequency region of the corresponding power density plot. On the basis of examination of the power density distribution, a well-defined distinction is made between primary and secondary abstract factors. The major uncertainty encountered in determining the number of chemical components appears to arise from effects of contaminants in reagents.
    Additional Material: 7 Ill.
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  • 27
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. 435-453 
    ISSN: 0886-9383
    Keywords: Class-modelling methods ; Potential functions ; Pattern recognition ; Discriminant analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A probabilistic and distribution-free class-modelling technique is developed from potential function discriminant analysis. In the multidimensional space of variables the class boundary is built either by the sample percentile of the probability density estimated by means of potential functions, or by the estimate of the ‘equivalent’ determinant of the variance-covariance matrix. The equivalent determinant is that of a hypothetical multivariate normal distribution whose mean probability density was obtained by potential functions. The bases of this modelling rule are evaluated by means of Monte Carlo experiments. The results on four datasets are used to measure the performances of this method, which equal and sometimes exceed the performances of parametric class-modelling methods based on linear and quadratic discriminant analysis which were used for comparison.
    Additional Material: 15 Ill.
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  • 28
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    Journal of Chemometrics 5 (1991), S. 455-465 
    ISSN: 0886-9383
    Keywords: Correspondence analysis ; Cluster analysis ; Optimization ; Eigenanalysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Carey et al. utilized principal components analysis (PCA) to analyze frequency shift data obtained from piezoelectric sensors formed by coating quartz crystals with 27 different GC stationary phases and tested using 14 analytes. The objective of the analysis was to determine an optimal reduced set of coatings for detection of the analytes. The results were correlated with those obtained from cluster analysis. In this paper the data are re-analyzed using correspondence analysis (CA). The advantage of using CA include a symmetric treatment of sensor coatings and analytes and better identification of the representation of the analytes in terms of the detection components. The results obtained by the conjunctive use of PCA, a varimax rotation and cluster analysis were obtained by CA.
    Additional Material: 2 Ill.
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  • 29
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    Journal of Chemometrics 5 (1991), S. 467-486 
    ISSN: 0886-9383
    Keywords: Expert system ; Neural network ; Fuzzy entropy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A fuzzy multivariate rule-building expert system (FuRES) has been devised which also functions as a minimal neural network. This system builds rules from training sets of data that use feature transformation in their antecedents. The rules are constructed using the ID3 algorithm with a fuzzy expression of classification entropy. The rules are optimal with respect to fuzziness and can accommodate overlapped and underlapped clusters of data. The FuRES algorithm combines the benefits obtained from simulated annealing and gradient optimization, which provide robustness and efficiency respectively. FuRES classification trees support OR logic in their inference. The system automatically generates meaningful and consistent certainty factors during rule construction. Unlike other neural networks, FuRES uses local processing which furnishes qualitative information in the rule structure of its classification trees and variable loadings of the weight vectors.
    Additional Material: 18 Ill.
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  • 30
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    Journal of Chemometrics 5 (1991) 
    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
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  • 31
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 5 (1991), S. i 
    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
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  • 32
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    Journal of Chemometrics 5 (1991), S. 487-501 
    ISSN: 0886-9383
    Keywords: Calibration ; Locally linear models ; Discrimination ; Optimality ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A calibration situation is considered where the calibration data are split into subsets with good linear relationship between y and x within each group. Different strategies for good prediction in this case are proposed. Modifications for collinear data are considered and a simple simulated data set is used for illustration.
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  • 33
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    Journal of Chemometrics 5 (1991), S. 503-521 
    ISSN: 0886-9383
    Keywords: Antagonism ; Bounded ordinal scale ; Herbicide interaction ; Inter block comparisons ; Non-parametric ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Studies of interactions among bioactive compounds are often difficult to interpret unambiguously. A priori assumptions about the nature of such interactions can seriously distort analysis of the data. By applying a rank order analysis appropriate to the naturally ordinal scale of response to xenobiotic insult, several co-herbicides were successfully identified from among numerous candidates in an experiment involving multiple blocks, rates and species. Moreover, underlying herbicide interactions were substantiated and identified which were not apparent by more traditional parametric analysis.
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  • 34
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    Journal of Chemometrics 5 (1991), S. i 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 35
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    Journal of Chemometrics 5 (1991), S. 1-20 
    ISSN: 0886-9383
    Keywords: Averaging ; Median ; Outliers ; Regression ; Residuals ; Robustness ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this tutorial we first illustrate the effect of outliers on classical statistics such as the sample average. This motivates the use of robust techniques. For univariate data the sample median is a robust estimator of location, and the dispersion can also be estimated robustly. The resulting ‘z-scores’ are well suited to detect outliers. The sample median can be generalized to very large data sets, which is useful for robust ‘averaging’ of curves or images. For multivariate data a robust regression procedure is described. Its standardized residuals allow us to identify the outliers. Finally, a survey of related approaches is given. (This review overlaps with earlier work by the same author, which appeared elsewhere.)
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  • 36
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    Journal of Chemometrics 5 (1991), S. 21-35 
    ISSN: 0886-9383
    Keywords: Wronskian determinant ; Multicomponent systems ; Derivative spectroscopy ; Spline functions ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The use of Wronskian determinants in the study of multicomponent systems is proposed. The general theory is presented and applied to the spectrophotometric determination of the number of linearly independent components-absorbers. A detailed study of a two-component system is presented and analysed. Numerical methods for smoothing and differentiation of digitized spectra via cubic splines are used.
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  • 37
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    Journal of Chemometrics 5 (1991), S. 49-65 
    ISSN: 0886-9383
    Keywords: Calibration ; Cluster analysis ; Local linearity ; Mahalanobis distance ; Residual distance ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The topic of the present paper is the splitting of calibration data into subgroups with improved linearity in each group. The method proposed is based on a criterion which is a weighted average of a Mahalanobis distance and a squared regression residual. The algorithm used to find the solution is based on fuzzy clustering. Two examples are given to illustrate the theory.
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  • 38
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    Journal of Chemometrics 5 (1991), S. 37-48 
    ISSN: 0886-9383
    Keywords: Optimization ; Simulated annealing ; Calibration ; Experimental design ; Multicomponent analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Generalized simulated annealing (GSA) is an optimization procedure for locating the global optimum (maximum or minimum) of multidimenisonal continuous functions. GSA has been modified for optimization of discrete functions. Selection of calibration samples from an existing set defines discrete optimization and GSA is used to select optimal sets of calibration samples for specific analysis samples. The procedure is applied to near-infrared spectra. When compared to using the complete set of 37 calibration samples, concentration prediction errors were reduced 50%-100% by using select sets of two to seven calibration samples. Additionally, GSA was able to improve a poorly designed experiment. GSA devised augmented experimental designs such that the overall experimental design (original plus augmented) was more orthogonal than the original.
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  • 39
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    Journal of Chemometrics 5 (1991), S. 68-69 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 40
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    Journal of Chemometrics 5 (1991), S. 67-67 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 41
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    Journal of Chemometrics 5 (1991), S. 71-71 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 42
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    Journal of Chemometrics 5 (1991), S. 85-95 
    ISSN: 0886-9383
    Keywords: Deconvolution ; Gold's ratio ; Iterative deconvolution ; Chromatographic deconvolution ; Peak restoration ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper will consider the use of an iterative ratio technique called Gold's ratio method as an alternative to iterative constrained deconvolution methods for the restoration of overlapped and noisy chromatograpic peaks. The study will consist of first describing the technique and then evaluating its performance with respect to Jansson's deconvolution procedure. A Hewlett-Packard 5890A gas chromatograph will be used to generate most of the test data. The evaluation criteria will include convergence rates, peak area errors and variances, retention time variances and noise performance.
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  • 43
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    Journal of Chemometrics 5 (1991), S. 523-536 
    ISSN: 0886-9383
    Keywords: Measurement errors ; Method comparison ; Mean square successive difference ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Comparison of methods is a technique often used for investigation of systematic errors of measurement methods. As concerns the design and analysis of such comparisons, much variety of opinion and practice exists. In one approach a few specimens are measured several times by different operators in different laboratories (reproducibility conditions) and in another approach several specimens are measured on one or a few occasions by one operator in the same laboratory (repeatability conditions). In this paper a model for the error structure of measurements is formulated and it is emphasized that one has to distinguish between two types of systematic errors: the first type depends only on the level of the measured quantity and the second type is specific for the separate specimens. On the basis of this model the information which can be obtained from the different designs of method comparisons is discussed. A new approach for the analysis of method comparisons with many specimens is also proposed.
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  • 44
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    Journal of Chemometrics 5 (1991), S. 69-69 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 45
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    Journal of Chemometrics 5 (1991), S. 121-128 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 46
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    Journal of Chemometrics 5 (1991), S. 537-543 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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  • 47
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 48
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    Journal of Chemometrics 5 (1991) 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 49
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    Journal of Chemometrics 5 (1991) 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 50
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    Journal of Chemometrics 5 (1991), S. i 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 51
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    Journal of Chemometrics 5 (1991), S. 73-84 
    ISSN: 0886-9383
    Keywords: Optimization ; Technological process ; COMPLEX algorithm ; ANTICOMPLEX algorithm ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new program, named ANTICOMPLEX, has been specially written for searching the optimum conditions of a technological process. The algorithm is based on an iterative procedure with, at each step, a random sampling for a better exploration of the hyperspace of the parameters. Since the process is considered as a ‘black box’, the program operates by successive reductions of the variation domains with a strategy derived from some function optimization (COMPLEX). This approach is very flexible and the experimenter can stop the investigation at any series of experiments according to the desired accuracy for the optimum region. This program has been successfully tested on several real processes. This paper gives a complete description of the approach together with two illustrations on simulated processes.
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  • 52
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    Journal of Chemometrics 5 (1991), S. 113-116 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 53
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    Journal of Chemometrics 5 (1991), S. 117-119 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 54
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    Journal of Chemometrics 5 (1991), S. 97-111 
    ISSN: 0886-9383
    Keywords: Multivariate images ; Principal component regression ; Multivariate image regression ; Regression model ; Predicted image(s) ; Prediction quality scatter plot ; Visual diagnostic tools ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Regression between two blocks (usually called ‘dependent’ or Y and ‘independent’ or X) of data is a very important scientific and data-analytical tool. Regression on multivariate images is possible and constitutes a meaningful addition to existing univariate and multivariate techniques of image analysis. The regression can be used as a modeling tool or for prediction. The form of the regression equation chosen is dependent upon problem specification and information at hand. This paper describes the use of principal component regression (PCR). Both model building and prediction are presented for continuous Y-variables. The final goal is to supply new image material that can be used for visual inspection on a screen. Also, visual tools for diagnosis of model and prediction are provided, often based on derived image material. Examples of modeling and prediction are given for six channels in a seven-channel satellite image.
    Additional Material: 14 Ill.
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  • 55
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    Journal of Chemometrics 5 (1991) 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 56
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    Journal of Chemometrics 5 (1991), S. 227-239 
    ISSN: 0886-9383
    Keywords: Unit-sum constraint ; Mixing proportions ; Ratio data ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The statistical analysis of compositional data is of fundamental importance to practitioners in general and to chemists in particular. The existing methodology is principally due to Aitchison, who effectively uses two transformations, a ratio followed by the logarithmic, to create a useful, coherent theory that in principle allows the plethora of normal-based multivariate techniques to be used on the transformed data. This paper suggests that the well-known class of Box-Cox transformations can be employed in place of the logarithmic to significantly improve the existing methodology. This is supported in part by showing that one of the most basic problems that Aitchison managed to overcome, namely the specification of an interpretable covariance structure for compositional data, can be resolved, or nearly resolved, once the ratio transformation has been applied. Hence the resolution is not directly dependent on the logarithmic transformation. It is then verified that access to the general Box-Cox family will allow a more accurate use of the normal-based multivariate techniques, simply because better fits to normality can be achieved. Finally, maximum likelihood estimation and some associated asymptotics are employed to construct confidence intervals for ratios of the true, unknown compositional constituents. Heretofore this had not been done even in the context of the logarithmic transformation. Applications to real data are presented.
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  • 57
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    Journal of Chemometrics 5 (1991), S. 241-248 
    ISSN: 0886-9383
    Keywords: Multivariate kurtosis ; Generalized distance ; Multivariate outliers ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Multivariate outliers in environmental data sets are often caused by atypical measurement error in a single variable. From a quality assurance perspective it is important to identify these variables efficiently so that corrective actions may be performed. We demonstrate a procedure for using two multivariate tests to identify which variable ‘caused’ each outlier. The procedure is tested with simulated data sets have have the same correlation structure as selected water chemistry variables from a survey of lakes in the Western United States. The success rates are evaluated for three of the variables for sample sizes of 50 and 100, significance levels of 0.01 and 0.05 and various amounts of mean shift. The procedure works best for highly correlated variables.
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  • 58
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    Journal of Chemometrics 5 (1991), S. 249-261 
    ISSN: 0886-9383
    Keywords: Asymptotic power ; Clean-up standard ; Gamma distribution ; Likelihood ratio test ; Uniformly most powerful unbiased test ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The object of this paper is to develop a suitable statistical procedure to evaluate clean-up standards at hazardous waste sites. Under the assumptions that contaminant masses at a site follow a gamma distribution and that the data from the pre-remediation baseline sample as well as from the interim or final sample taken after a certain period of operation are both distributed as gamma with the same shape parameter but different scale parameters, we derive a uniformly most powerful unbiased test of the hypothesis that a specified percentage of contaminant mass has been reduced. A large-sample approximation of the exact test procedure and a comparison with the likelihood ratio test are provided.
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  • 59
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    Journal of Chemometrics 5 (1991), S. 263-271 
    ISSN: 0886-9383
    Keywords: Mean ; Variance ; Lognormal ; Optimal estimators ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Theoretical and simulation results are employed to evaluate mean and variance estimates for normal data when a lognormal distribution is assumed and for lognormal data when a normal distribution is assumed. Misspecifying the distribution leads to the use of suboptimal estimation methods. However, the results show that the suboptimal methods still produce estimators of good quality (low bias and variance) relative to the minimum variance unbiased estimators for each distribution, at least when practical efficiency is considered.
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  • 60
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    Journal of Chemometrics 5 (1991), S. 273-290 
    ISSN: 0886-9383
    Keywords: Correspondence analysis ; Eastern Lake Survey - Phase I data ; Acidic deposition ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Correspondence analysis (CA) was applied to lakewater data in order to study the effects of acidic deposition on the geochemical composition of lakes in the Adirondacks. The lake chemistry data analyzed were taken from the Eastern Lake Survey - Phase I (ELS-I) conducted by the U.S. Environmental Protection Agency. CA was used to identify ‘outlying’ lake samples as well as ‘superflous’ and ‘unresolved’ analytes. Correlational relationship among analytes were also examined.
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  • 61
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 259-269 
    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 an annotated bibliography of numerical modelling in electromagnetic compatibility with emphasis on coupled transmission lines. Although the papers cited generally appeared in the open literature between 1980 and 1990, very useful works prior to that period are covered.
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  • 62
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 241-258 
    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 electromagnetic radiation from electronic systems is formulated in terms of an integral equation for the electric and the equivalent magnetic current density, which is numerically solved by the method of moments. The electromagnetic coupling to conducting thin wires, thin plates, and aperture fitted cabinets is taken into account by appropriate operator equations.In order to solve the integral equation of electrically large conducting structures, suitable basis functions are needed to minimize the computation time. B-spline functions of the second and third degree are used as a basis in the moment method, which lead to a decrease of the computation time.A second way to decrease the computation time is given by the possibility of determining which parts of the structure of a printed circuit board (PCB) have to be considered and which parts can be neglected. Examples show that the influence of near source conducting areas to the radiated emissions is strong. It will be shown that this influence depends on the geometrical symmetry, the shape, and the distance of the scattering body.
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  • 63
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 1-1 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
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  • 64
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991) 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
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  • 65
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 3-18 
    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 effect of the substrate structure on the radiation properties of microstrip array feed networks is investigated with the space-domain integral equation approach. Numerical and analytical techniques are employed to produce efficient computer algorithms. Results for space and surface wave losses are presented for corner discontinuities printed on substrate/superstrate, and two-layer substrate structures. Comparisons are made with the single-layer case.
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  • 66
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 45-62 
    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 comprehensive analysis procedure is presented to investigate mode propagation in a class of semiconductor-based transmission lines suitable for application in microwave or optoelectronic circuits. The method of lines (MoL) has been used to investigate single or multiconductor planar transmission line structures printed on a combination of insulating and semiconducting substrate. Homogeneous as well as inhomogeneous doping areas in the semiconductor are included in the theoretical formulation. Numerical results are presented for III-V semiconductor travelling wave electro-optic modulators in double-rib, multilayer strip waveguide configuration, microslabTM transmission lines with partial and full strip cover and slow-wave MIS microstrip/coplanar transmission lines on thick and thin film semiconductor substrate with gradually inhomogeneous doping layer.
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  • 67
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. i 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
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  • 68
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991) 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
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  • 69
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 123-138 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Computer models in electromagnetics are based primarily either on integral or on differential equations. The former arise from source integrals using some appropriate Green's function whereas the latter originate from the Maxwell curl equations. Although requiring volume rather than surface sampling even for spatially homogeneous problems, in contrast to integral-equation (IE) models, differential-equation (DE) models are geneally a better choice for problems involving spatial inhomogeneities. This is because such problems require volumetric sampling using either approach, but the DE model produces a sparse matrix rather than the full matrix of the IE formulation.In this paper we describe a new approach based on using multiply propagated fields for numerically solving the banded matrix that results from discretizing the Helmholtz equation. A computer-time savings of N1/2 and N2/3 for two-dimensional (2-D) and three-dimensional (3-D) problems, respectively, is made possible, where N is the total number of field samples or unknowns. For even moderate-size problems where 100 samples per linear dimension are used (N2 = 10,000 and N3 = 1,000,000), the time savings can be of the order of 100 and 10,000 respectively. Another advantage of this procedure, which we call Helmholtz equation multiple propagator (HEMP), is that the radiation or closure condition needed to terminate the spatial solution mesh for exterior problems can be enforced rigorously with essentially no additional computational cost.The method is illustrated for a 2-D problem by application to plane-wave scattering from an infinite, metal, circular cylinder. Results are presented for the mode amplitudes of the scattered field, the induced surface current, and the bistatic far field as obtained from HEMP, and shown to be in good agreement with the analytical results. Although limited here to the simplest possible application in order to establish its feasibility, the approach's advantage would be its applicability to 2-D and 3-D problems involving inhomogeneous, penetrable objects.
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  • 70
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 153-162 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Two computer programs DOTIG1 and DOTIG2 were developed to calculate, in the time-domain, the interaction of transient electromagnetic pulses (EMP) with perfect electric conductor structures modelled by thin wires (DOTIG1) or patches (DOTIG2). DOTIG1 uses the electric field integral equation and DOTIG2 the magnetic field integral equation. Briefly described below are the numerical procedures used to develop both programs and some results that show their characteristics.
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  • 71
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 189-201 
    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 a time-domain method to calculate electromagnetic plane wave induced surges on overhead multiconductor transmission lines. By means of some particular line impulse responses, the method takes into account the distributed nature of the coupling with plane wave radiated fields. A comparison of measured plane-wave induced voltages reported in the literature and calculated voltages shows a very close agreement.
    Additional Material: 12 Ill.
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  • 72
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 203-223 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Studies on the propagation of picosecond pulses in coupled microstrip line interconnections on silicon integrated circuit substrates are presented. The effects of conductor and dielectric losses in the transmission line on the distortion, delay and attenuation of picosecond pulses are studied in detail. A direct comparison is made with the propagation characteristics of interconnects using ordinary metals and high-temperature superconductors such as YBa2Cu3O7. The results generally show the advantages of using high-temperature superconductor tracks on low-loss integrated circuit substrates such as GaAs. However, even in this case, geometrical dispersion can cause distortion on the pulses and it is therefore an important factor to be considered.
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  • 73
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 19-43 
    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 new insight into the numerical properties of the mode-matching (MM) technique is given at the example of capacitive and inductive diaphragms in rectangular waveguide. The presence of two sources of error is pointed out and the existence is demonstrated of an optimum modal ratio which produces the best compensation between the two errors. The MM technique is formulated in a generalized form as an integral equation for either the electric field on the aperture or the current on the diaphragm. This allows the edge condition to be incorporated into the basis functions in order to improve the numerical efficiency of the method. An extensive investigation of the numerical properties of the various formulations in different cases is presented, including the frequency behaviour of the numerical error.
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  • 74
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 63-73 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Two different formulations of the transverse resonance field-matching technique are applied to evaluate the modal spectrum of metal-finned waveguide structures. In the theoretical treatment, Method 1 uses boundary conditions prior to interface relations and allows the number of expansion terms to be selected according to the dimensions of the cross-section subregions. Method 2 imposes boundary and interface conditions in reversed order but requires the same number of expansion terms to be used in various subregions. The two procedures are then compared with respect to their influence on the modal scattering matrix computation of metal-finned waveguide resonators. Method 2 shows excellent agreement with measurements, but it is restricted to configurations with relatively thin fins and moderate slot widths. Although Method 1 may be applied to more general structures, this procedure requires a higher computational effort and leads to slightly different results. However, it constitutes a powerful PC-operational alternative whenever an extended precision compiler, as required for Method 2, is not available.
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  • 75
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991) 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
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  • 76
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 75-80 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Additional Material: 5 Ill.
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  • 77
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 97-105 
    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 illustrates how problems based on the Probabilistic Potential Method can be solved using a parallelized form of the Exodus Monte Carlo technique. The Exodus technique which does not use random number generation is shown to be more efficient for moderately large problems than the conventional fixed random walk method when programmed in both sequential and concurrent forms.The technique is illustrated for an electrostatic field problem by using as an example internal potential evaluation for a rectangular coaxial line. The problem geometry is torn into subsections which are then analysed independently using concurrent programming methods. The resulting algorithm is compared with the same problem executed using a conventional sequential algorithm. Computation is achieved by use of an array of transputers. The design of the concurrent algorithm is described in detail and typical results are compared with the fixed random walk Monte Carlo method and also with the finite difference relaxation method. Parallel Fortran is used throughout as the programming language.
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  • 78
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 139-139 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
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  • 79
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 301-320 
    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 new GaAs carrier transport modelling methodology is presented, designed to address the competing needs of microscopic detail and of computational efficiency. The rationale for advanced semiclassical models based on the Boltzmann transport equation (BTE) are reviewed and discussed in terms of the unique properties of GaAs. A new methodology is then presented, formulated around a one-dimensional velocity-space variable. It includes a realistic description of the GaAs band structure including multiple valleys, non-parabolicity, and anisotropy, which is used to explicitly evaluate the scattering distributions, and rates, for different scattering mechanisms. These in turn allow a direct evaluation of the BTE scattering inegral, which is solved iteratively with the non-scattering terms. Based on this methodology, a prototype model is shown to reproduce the GaAs velocity-field relationship in homogeneous, undoped material. Band structure and forward-scattering effects are clearly visible in the model's solutions for the carrier velocity distribution. The model's computational simplicity, combined with a finer level of detail, makes it suitable for device simulation without invoking Monte Carlo or other computationally intensive methods.
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  • 80
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 271-271 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
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  • 81
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 225-240 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Cross-talk and pulse distortion in high-speed digital circuits have long been major design considerations. With the present trend towards increased speed and packing density the commonly used TEM approximation is no longer capable of producing sufficiently accurate results. In this contribution, the finite-difference time- domain technique incorporating a novel means of launching the pulses is used to provide a rigorous three- dimensional simulation of cross-talk on high-speed digital circuits. This includes the often-neglected effects of higher-order modes and surface waves. Results are presented for pulses propagating along a single track and for coupling between two and three tracks using square, gaussian and raised cosine pulse excitation functions. The results are shown to be in good agreement with other rigorous analyses.
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  • 82
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991) 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
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  • 83
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 273-286 
    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 analysis of the relationship between complex permittivity and complex resonance frequency is proposed for a cylindrical cavity oscillating in a TM0mp mode. Effects of wall conductivity, coupling loops, and holes for the insertion of dielectric samples are fully taken into account. With dielectric samples of small radii, insertion holes produce the most important corrections. Their effect is modelled through a finite difference solution of the field equations in the neighbourhood of the holes. A computer program is described for the analysis, the use of which is illustrated with results of measurements.
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  • 84
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 321-328 
    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 relationship between microwave power absorbed by a detector diode and the resulting detected voltage at high signal level is investigated. Experimental data is obtained from a zero-biased diode mounted in a rectangular waveguide system operating at 9.5 GHz. The Alpa Industries Inc. 4561, 6724 and 6725 Schottky diodes and the M/A-COM 1N23 Point Contact diode with 1 kω and 106 kω loads are examined. The P-V relationships are analysed by solving a system of non-linear differential equations based on a lumped parameter model of the microwave system and diode.
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  • 85
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    Chichester [u.a.] : Wiley-Blackwell
    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. ii 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
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  • 86
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 287-299 
    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 moment method solution is presented to compute electromagnetic scattering from material bodies. The bodies are supposed to be homogeneous, arbitrarily shaped and lossy; they can be coated with very thin perfect conductors in some parts. A formulation of the scattering problem is made in terms of the equivalent surface current densities for which mixed potentials are used. The equivalent currents are expanded in the space-domain by a triangular expansion function on the triangulated surfaces of the scatterer. The Galerkin procedure is carried out to test boundary integral equations and reduce the functional form of the equations to a partitioned matrix equation. The solution is applied to the scattering problem of a dielectric slab, a thin conductor coated by absorber material and a rectangular patch on a grounded dielectric slab. The computed backscattering radar cross-section and surface current densities of the structures are presented and some of the results are compared with experimental data.
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  • 87
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 81-95 
    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 adaptive mesh refinement scheme in the finite element method is presented in this paper. The new criterion Bdiff for adaptive refinement is tested for its validity. A technique for approximating curved boundaries employing the concept of triangle subdivision in conjunction with Delauney triangulation is also considered, so that the mesh produced is optimal. The implementation of the adaptive mesh refinement criterion in conjunction with the proposed technique of including the curved boundaries in the finite element model is described in detail and several examples of its application are given by way of illustration.
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  • 88
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 107-122 
    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 set of modified semiconductor equations is described together with novel algorithms for solving them. These ensure a well-behaved, guaranteed convergent solution for a steady-state semiconductor model. Examples results on the simulation of a GaAs Dual Gate MESFET are given to demonstrate the efficiency of the new scheme.
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  • 89
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 141-141 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
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  • 90
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 143-152 
    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 transmission-line modelling (TLM) method is applied to problems in electromagnetic compatibility (EMC). Simulated results for a field-to-wire coupling problem are presented, together with comparisons with experimental results. The comparisons confirm the validity of the model and its accuracy. The effects on resonances and field profiles, of placing a measurement dipole antenna inside a screened room are investigated. The resonant structure inside an unlined screened room and the same room when lined with radiation-absorbing material are investigated using a TLM model. The results confirm that the model developed can be used for the characterization of the entire EMC test environment.
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  • 91
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 163-174 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Calculation of the electromagnetic field diffracted by an aperture situated in a perfectly conducting ground plane can be made through the well-known theory of polarizabilities. However, simple expressions are only obtained under conditions which are not often fulfilled in electromagnetic compatibility problems since, for example, the disturbing field incident on the aperture must be considered as a uniform one. Furthermore, if the aperture is loaded by a low conducting material, available approximate formulas are only valid for a small circular hole. In this paper, we present a numerical approach based on the determination of the equivalent magnetic current distributed on the surface of the aperture. This distribution is the solution of an integral equation solved by the method of moments. This formulation allows us to take the surface impedance of a loading material and the contact resistance between this material and the rim into account. The validation of the computer code is shown by comparing computed and analytical results on some typical examples. Few applications are also described.
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  • 92
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    International Journal of Numerical Modelling: Electronic Networks, Devices and Fields 4 (1991), S. 175-188 
    ISSN: 0894-3370
    Keywords: Engineering ; Electrical and Electronics Engineering
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Electrical Engineering, Measurement and Control Technology
    Notes: Knowledge of the electromagnetic field distribution inside electronic enclosures due to incident fields is of interest to EMC design engineers. In this paper, a three-dimensional formulation of the finite element method was developed to solve the electromagnetic field distribution inside metal enclosures with apertures. The formulation was developed using a three-component vector magnetic potential and a scalar electric potential. The displacement current as well as the conduction current term was included. The region of interest was discretized using eight-node isoparametric hexahedrons and the potential functions were defined using linear first-order basis functions. The penetration of a steady-state electromagnetic field through an aperture into a simple cavity was analysed with the 3-D FEM program.
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  • 93
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    Journal of High Resolution Chromatography 14 (1991), S. 73-74 
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 94
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Solid phase extraction ; Structure-type separation ; Polycyclic aromatic hydrocarbons (PAHs) ; Diesel fuel ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A simple and effective solid phase extraction (SPE) method using silica gel micro glass columns has been developed for the separation of diesel fuel into groups of aliphatic, and mono-, di- and polyaromatic hydrocarbons. It is based on a stepwise gradient of dichloromethane in n-pentane. The resulting fractions were analyzed by capillary gas chromatography with a flame ionization detector and coupled gas chromatography-mass spectrometry.Commercially available standards, and retention indices and mass spectra were used for identification of individual aromatic compounds. The principal polycyclic aromatic hydrocarbons (PAHs) in diesel fuel are naphthalene, biphenyl, fluorene, phen-anthrene and their alkylated derivatives. Sulfur-containing PAHs are mainly represented by methyl-substituted dibenzo-thiophenes.
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  • 95
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    Journal of High Resolution Chromatography 14 (1991), S. 99-102 
    ISSN: 0935-6304
    Keywords: Supercritical fluid chromatography ; Adsorption chromatography ; Porous glassy carbon ; Retention mechanisms ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The use of a porous glassy carbon (PGC) material as a packed-column SFC stationary phase has been previously demonstrated [1]. The material is further characterized in terms of its retention characteristics. The effects of variations in mobile phase composition, pressure, and temperature conditions are evaluated. Variation of temperature and pressure yielded expected results, specifically, decreased solute capacity factors with increased mobile phase density. The choice of supercritical fluid mobile phase allows the most notable control of solute retention; this was evaluated by adding low percentages of organic modifiers of varying molecular weights to the supercritical carbon dioxide mobile phase. PGC-SFC provides reversed phase characteristics similar to those found for PGC-HPLC. Porous glassy carbon has selectivity characteristics previously unavailable in supercritical fluid chromatography. Use of porous glassy carbon in supercritical fluid chromatography may provide distinct advantages in difficult analytical separations, allowing separations of molecules with only slight structural differences.
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  • 96
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    Journal of High Resolution Chromatography 14 (1991), S. 103-109 
    ISSN: 0935-6304
    Keywords: High resolution GC - High resolution MS ; Tandem mass spectrometry ; Dioxin analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A hybrid mass spectrometer with an EBQQ configuration was used to investigate two approaches to trace dioxin analysis: high resolution gas chromatography - high resolution mass spectrometry (HRGC-HRMS) and high resolution gas chromatography - mass spectrometry - mass spectrometry (HRGC-MS-MS). It is shown that selected ion monitoring (SIM) HRGC-HRMS exhibits better selectivity for dioxins separated on a cyanopropyl column than is otherwise obtained under medium resolution mass spectrometry (3,000 resolution), while optimization of conditions for HRGC-MS-MS allowed the observation of 350 femtograms of the highly toxic 2,3,7,8-TCDF at a S/N ratio of 5:1. Both methods were applied to environmental samples with good results.
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  • 97
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    Journal of High Resolution Chromatography 14 (1991), S. 110-116 
    ISSN: 0935-6304
    Keywords: Atomic emission detection ; Analysis of metalloporphyrins ; Selective GC detection of metals ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This report describes the selective detection of volatile nickel, vanadium, and iron metalloporphyrins in crude oil samples. An atomic emission detector (AED) was used for simultaneous detection of these metals using the Ni 301.2 nm, V 292.4 nm, and Fe 302.1 nm emission lines. Detection limits for these metals range from 0.05 to 5 pg/sec. The presence of volatile forms of these metals in several crude oil samples has been confirmed.
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  • 98
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    Journal of High Resolution Chromatography 14 (1991), S. 126-126 
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 99
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    Journal of High Resolution Chromatography 14 (1991), S. 117-122 
    ISSN: 0935-6304
    Keywords: Microcolumn liquid chromatography ; Cyclodextrin stationary phase ; Polycyclic aromatic hydrocarbons ; Isomeric compounds ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Preparative-grade bonded β- and γ-cyclodextrin stationary phases were used as the packing material of liquid chromato-graphic analytical microcolumns. Although the resulting columns are characterized by relatively low efficiency, the high selectivity of the cyclodextrin phases nevertheless allows their successful use for the separation of different classes of isomeric compounds that are difficult to resolve on conventional LC stationary phases. Examples of baseline (or almost baseline) separations of a number of isomeric compounds, including isomeric polycyclic aromatic hydrocarbons, are presented to demonstrate the analytical potential of such columns. Retention behavior of the separated isomers is discussed based on the structure of the solute molecule and the possibility of its inclusion into the molecular cavity of cyclodextrin stationary phases.
    Additional Material: 7 Ill.
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  • 100
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    Journal of High Resolution Chromatography 14 (1991), S. 123-125 
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Column technology ; LC-like packed capillary columns ; Hydrocarbons ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Capillary columns of 0.3-0.35 mm internal diameter and 0.3-7.7 m length, packed with 3 to 30 μm octadecylsilica stationary phases as used for liquid chromatography, were applied to gas chromatographic separation of low boiling hydrocarbons. Van Deemter plots for these columns showed the optimum column efficiency to occur at linear velocities of 4-5 cm/s. A short column was applied to the rapid separation of components of a natural gas and impurities in standard gases, while a long column was applied to the separation of complex mixtures.
    Additional Material: 5 Ill.
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