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  • Analytical Chemistry and Spectroscopy  (2,304)
  • 1990-1994  (1,441)
  • 1985-1989
  • 1980-1984  (863)
  • 1925-1929
  • 1992  (1,441)
  • 1984  (863)
  • 1929
Collection
Keywords
Publisher
Years
  • 1990-1994  (1,441)
  • 1985-1989
  • 1980-1984  (863)
  • 1925-1929
Year
  • 1
    Electronic Resource
    Electronic Resource
    Masthead (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060201
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  • 2
    Electronic Resource
    Electronic Resource
    Diary (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060202
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  • 3
    Electronic Resource
    Electronic Resource
    Editorial (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 63-64 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060204
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  • 4
    Electronic Resource
    Electronic Resource
    A new receptor model: A direct trilinear decomposition followed by a matrix reconstruction (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 65-83 
    Details
    ISSN: 0886-9383
    Keywords: Trilinear decomposition ; Receptor modeling ; Source identification ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In many cases, monitoring data for ambient airborne particles can be organized in the form of a three-way data table with one way for chemical species, one for sampling periods and one for sites. A direct trilinear decomposition followed by a matrix reconstruction (DTDMR) is developed to analyze such a data table as a whole. The three-way data set is composed into three two-way matrices by a direct trilinear decomposition (DTD). The column vectors of each of the matrices are called ‘source profiles’, ‘emission patterns’ and ‘site coefficients’ respectively. Particulate sources are identified by examining both their source profiles and emission patterns. After the sources have been identified, emission patterns and site coefficients are used to produce a three-way matrix that gives estimates of mass contributions of sources to the samples collected at every site in every period. By simulation study, not only has the method been verified, but a good indicator has been found that shows the number of factors (i.e. sources) in the system. Unlike other receptor models, DTDMR does not require source profile data and does not involve trial-and-error procedures. Since DTDMR identifies sources based on variations in two dimensions, it has a higher potential to distinguish two sources that have similar chemical compositions. The DTDMR model has provided excellent results with simulated data and has been applied in a real world three-way data set.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060205
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  • 5
    Electronic Resource
    Electronic Resource
    The chemometrics group, University of Bergen, Norway (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 113-116 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060209
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  • 6
    Electronic Resource
    Electronic Resource
    In memoriam: Herman Wold, pioneer of PLS (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 117-118 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060303
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  • 7
    Electronic Resource
    Electronic Resource
    Wavelength selection in multicomponent near-infrared calibration (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 151-161 
    Details
    ISSN: 0886-9383
    Keywords: NIR spectroscopy ; Wavelength selection ; Interaction effects ; Multicomponent mixtures ; Partial least squares ; Generalized least squares ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Modern scanning (near-)infrared reflectance/absorption (NIR) spectroscopes measure the absorptions or reflectances at a sequence of around 1000 wavelengths. Training data may consist of 10-100 carefully designed sample mixtures for which the true composition of the mixture is either known by formulation or accurately determined by wet chemistry. In future one wishes to predict the true composition from the spectrum. In this paper we compare a simple wavelength selection approach with methods which retain all the wavelengths. It offers a powerful yet simple technique for choosing those wavelengths that are specific to each pure component as against the other components (including the medium) for the varying compositions. In the presence of a defined range of ingredients in thus chooses wavelengths which are highly selective for each particular component. It has the added advantage of selecting wavelengths which are little effected by interaction effects and consequent non-linearities.The calibration data used consist of 125 observations of three sugars, each varying at five levels in a full 53 design. The validation set consists of 21 further samples specially selected to have compositions outside the range of the training sample. The selection methods perform much better on this prediction set than methods which retain all the wavelengths, 700 in this case. The leave-one-out cross-validation internal to the calibration data would point to the opposite finding and suggests that such crossvalidations may be overly flattering to techniques such as partial least squares and may encourage overfitting. After selection, simple straightforward least squares methods may be used, eschewing the need for ‘shrinkage’ methods such as partial least squares or ridge regression.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060306
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  • 8
    Electronic Resource
    Electronic Resource
    Data analysis with minimal assumptions (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 247-255 
    Details
    ISSN: 0886-9383
    Keywords: Analysis of variance ; Assumptions ; Graphics ; Models ; Validation of model ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The computer has made it possible to scrutinize data rapidly by means of graphics. This should be done prior to the application of any model to the data, since the model must be validated before using it as a means of analyzing the data. The procedure is illustrated in terms of two examples of real experimental data.
    Additional Material: 5 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180060504
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  • 9
    Electronic Resource
    Electronic Resource
    Design and optimization in organic synthesis, Rolf Carlson, Elsevier, Amsterdam ISBN 0-444-89201-X, No. of pages: 552, price: 330 f1 (1992) (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 284-285 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060508
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  • 10
    Electronic Resource
    Electronic Resource
    Quadratic PLS regression (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 307-334 
    Details
    ISSN: 0886-9383
    Keywords: Non-linear PLS ; Quadratic regression ; Non-linear models ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We treat here an extension of linear PLS regression to include regression on quadratic PLS components. The quadratic regression can be viewed as a natural extention of linear PLS regression to quadratic PLS according to the H-principle of mathematical modelling. The numerical implementation is treated in detail. It is shown that this approach can be used for models with large numbers of variables. Some modelling strategies are discussed depending on the purpose of the modelling. Applications of this approach are treated.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060603
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  • 11
    Electronic Resource
    Electronic Resource
    Software Review (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 357-357 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060606
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  • 12
    Electronic Resource
    Electronic Resource
    Masthead (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060101
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  • 13
    Electronic Resource
    Electronic Resource
    Window factor analysis: Theoretical derivation and application to flow injection analysis data (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 29-40 
    Details
    ISSN: 0886-9383
    Keywords: Factor analysis ; Window factor analysis ; Multicomponent analysis ; Flow injection analysis ; Self-modeling curve resolution ; Bismuth chloride complexes ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Window factor analysis (WFA) is a self-modeling method for extracting the concentration profiles of individual components from evolutionary processes such as flow injection, chromatography, titrations and reaction kinetics. The method takes advantage of the fact that each component lies in a specific region along the evolutionary axis, called the window. Theoretical equations are derived. The method is used to extract the concentration profiles and spectra of seven bismuth species from data obtained by Gemperline and Hamilton, who injected bismuth perchlorate into a flowing stream of hydrochloric acid.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060104
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  • 14
    Electronic Resource
    Electronic Resource
    The relationship of closure, mean centering and matrix rank interpretation (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 57-62 
    Details
    ISSN: 0886-9383
    Keywords: Closure ; Baseline ; Mean centering ; Rank ; Exploratory data analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper describes an investigation into the relationship of closure, a baseline offset and mean centering to the interpretation of matrix rank. The equivalence of a certain type of closure to a constant baseline (i.e. a simple numerical offset which may vary between response channels but is constant over all samples) is demonstrated. A systematic approach to the interpretation of the rank of a matrix is given.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060106
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  • 15
    Electronic Resource
    Electronic Resource
    Ranking principal components to reflect group structure (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 97-102 
    Details
    ISSN: 0886-9383
    Keywords: Between-group variances ; Canonical variate criterion ; Eigenvalues ; Eigenvectors ; Orthogonal projection ; Within-group variance ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Canonical variate analysis is the appropriate descriptive technique for multivariate data which have an a priori group structure, but problems arise with this technique when there are more variables than within-group degrees of freedom because of singularity of matrices. In such cases it is shown through illustrative examples that principal component analysis is a viable substitute provided that the principal components are ranked according to the canonical variate criterion (ratio- of between- to within-group variances) rather than the usual criterion of total variance. This ranking can also be used to select components for subsequent discriminant analysis.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060207
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  • 16
    Electronic Resource
    Electronic Resource
    Masthead (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060301
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  • 17
    Electronic Resource
    Electronic Resource
    Classification of mass spectra (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 119-133 
    Details
    ISSN: 0886-9383
    Keywords: Mass spectra ; Classification ; Structure description ; Fragmentation ; Ion series ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In order to investigate correlations between the functionality of compounds and the classification of their mass spectra, low-resolution spectra of monofunctional compounds have been classified by four supervised classification methods. The new classes are characterized by structural features and the correlation between functionality and classification is explained by fragmentation rules. Systematic misclassifications show that low-resolution mass spectra alone are not suitable for reliable identification of functionality.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060304
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  • 18
    Electronic Resource
    Electronic Resource
    Multiple-correspondence analysis optical microscopy for determination of starch granules (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 163-175 
    Details
    ISSN: 0886-9383
    Keywords: Multiple-correspondence analysis ; Starch granule description ; Image analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Raw starch is composed botanically of characteristic granules of various sizes and shapes, so that each kind of starch may be characterized by the population of its granules. In the present study ten commercial starch species were studied: wheat, rice, manioc, potato, arrowroot, amylomaize, normal maize, waxy maize and two different banana species. Six variables measuring the size and shape of granules were obtained by image analysis. The objective was to find a method to describe and compare the granule populations of the ten species. For such a study, multiple-correspondence analysis (MCA) was applied. MCA makes it possible to draw similarity maps of categories and objects. For each starch species the frequency distributions (histograms) of the six variables were assessed and each granule was characterized by its species and the classes of histograms to which it belonged. MCA was applied to the granule table and a description of the histogram classes and the granules was obtained. From the variables description a general typology of the granules was deduced. The similarity maps showed considerable scatter of the granules for all species except rice. A particular species could therefore not be identified by a single granule, but the granule distribution seemed to be characteristic. MCA was an appropriate method to analyse these data because it points out non-linear relationships between quantitative and qualitative variables.
    Additional Material: 7 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180060307
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  • 19
    Electronic Resource
    Electronic Resource
    Estimation of prediction error for samples within the calibration range (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 177-188 
    Details
    ISSN: 0886-9383
    Keywords: PLS ; Prediction error ; Background constituents ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A modification of a technique proposed by Lorber and Kowalski for the estimation of prediction errors is presented. The method is applied to five data sets. The results show that for some data sets the estimated prediction errors are close to the actual prediction errors for samples within the calibration range, while samples outside the calibration range must be background corrected before quantification of the prediction error.
    Additional Material: 10 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180060403
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  • 20
    Electronic Resource
    Electronic Resource
    A robust PLS procedure (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 189-198 
    Details
    ISSN: 0886-9383
    Keywords: Robust regression ; Partial least squares ; QSAR ; Perturbation study ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A robust partial least squares (PLS) regression algorithm is developed. This is achieved by substitution of the univariate regression steps in the iterative PLS2 algorithm by a robust alternative. The angle between loading vectors from both perturbed and unperturbed solutions is used as a measure of robustness. By means of a perturbation study on a structure-activity data set, it is demonstrated that the stability of the robust method is superior to standard PLS.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180060404
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  • 21
    Electronic Resource
    Electronic Resource
    Sequential simplex optimization, Fredrick H. Walters, Lloyd R. Parker Jr., Stephen L. Morgan and Stanley N. Deming, CRC Press, Boca Raton, FL, 1991, 325 pages, ISBN-8493-5894-9, $49.95 (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 227-227 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060407
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  • 22
    Electronic Resource
    Electronic Resource
    Masthead (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060501
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  • 23
    Electronic Resource
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    Genetic algorithms as a strategy for feature selection (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 267-281 
    Details
    ISSN: 0886-9383
    Keywords: Genetic algorithms ; Feature selection ; Multivariate analysis ; Optimization methods ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Genetic algorithms have been created as an optimization strategy to be used especially when complex response surfaces do not allow the use of better-known methods (simplex, experimental design techniques, etc.). This paper shows that these algorithms, conveniently modified, can also be a valuable tool in solving the feature selection problem. The subsets of variables selected by genetic algorithms are generally more efficient than those obtained by classical methods of feature selection, since they can produce a better result by using a lower number of features.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180060506
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  • 24
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    Mathematical model for the optimization of the reaction between 2,3-bis(m-tolyl)quinolizinium bromide and piperidine using a factorial design (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 1-10 
    Details
    ISSN: 0886-9383
    Keywords: Derivatization reaction ; Factorial design ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A number of nucleophiles have been successfully identified and quantified using the Kröhnke reaction with 2,3-diphenyl derivatives of quinolizinium salts. Optimization of the reaction conditions by means of a mathematical model involving analysis of the response surface has led to a better understanding of the factors exerting an influence on the above reaction.The parameters chosen were temperature, reaction time, base concentration, water concentration and nucleophile concentration. The reaction was developed in polar aprotic solvents (acetone, acetonitrile). To facilitate the nucleophilic attack, the presence of an organic base (triethylamine) was necessary, although concentrations in excess of 0·15M did not alter the development of the reaction. Since pharmaceutical solutions are often aqueous, the influence of water on the reaction was studied. Low water volumes have no significant influence on the opening of the quinolizinium ring by the nucleophilic reagent. However, when the water proportion exceeded that of the organic solvent, the fluorescence intensity was lower than expected. Development of the fluorescent reaction product was first detected 5 min after the reaction started. The fluorescence intensity reached its optimum value after 138 min.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180060102
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  • 25
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    Announcements (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060203
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  • 26
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    Computer-generated multicomponent calibration designs for optimal analysis sample predictions (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 85-96 
    Details
    ISSN: 0886-9383
    Keywords: Optimization ; Calibration ; Simulated annealing ; Experimental design ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper utilizes variable step size generalized simulated annealing (VSGSA) to design multicomponent calibration samples for spectroscopic data. VSGSA is an optimization procedure which is capable of converging to exact positions of global optima located on multidimensional continuous functions. On the basis of analysis sample response vectors, optimally designed calibration concentration matrices are obtained assuming knowledge of components present. The complexity of response surfaces established by the optimization criteria is described.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180060206
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  • 27
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    The effect of mean centering on prediction in multivariate calibration (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 103-111 
    Details
    ISSN: 0886-9383
    Keywords: Mean centering ; Preprocessing ; Multivariate calibration ; Error propagation ; Principal component regression (PCR) ; Partial least squares (PLS) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Traditionally, one form of preprocessing in multivariate calibration methods such as principal component regression and partial least squares is mean centering the independent variables (responses) and the dependent variables (concentrations). However, upon examination of the statistical issue of error propagation in multivariate calibration, it was found that mean centering is not advised for some data structures. In this paper it is shown that for response data which (i) vary linearly with concentration, (ii) have no baseline (when there is a component with a non-zero response that does not change in concentration) and (iii) have no closure in the concentrations (for each sample the concentrations of all components add to a constant, e.g. 100%) it is better not to mean center the calibration data. That is, the prediction errors as evaluated by a root mean square error statistic will be smaller for a model made with the raw data than a model made with mean-centered data. With simulated data relative improvements ranging from 1% to 13% were observed depending on the amount of error in the calibration concentrations and responses.
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180060208
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  • 28
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    Diary (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060302
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  • 29
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    Multivariate analysis of 2D surfaces: Folding and interpretation (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 135-150 
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    ISSN: 0886-9383
    Keywords: 2D surface ; Multivariate analysis ; Non-congruent ; Unfolding ; Folding ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The use of latent variable projection for analysis of non-congruent 2D surfaces is presented. We give a formal description of the folding/unfolding process. A simulated 2D oscillator evolving in time is studied in detail to illustrate interpretation aspects of the method.
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    Diary (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060402
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    MARS: A tutorial (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 199-216 
    Details
    ISSN: 0886-9383
    Keywords: MARS ; Splines ; Multivariate calibration ; Non-linear ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This tutorial paper presents a simplified view of one of the more recently published multivariate calibration methods particularly suited to dealing with non-linear data sets. The method is referred to as MARS and stands for multivariate adaptive regression splines. Simple examples are provided to explain the workings of the method.
    Additional Material: 8 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180060405
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    Chemometrics: Applications of mathematics and statistics to laboratory systems, R. G. Brereton, Ellis Horwood, Chichester, ISBN-0-13-131350-9, 307 pp., £54.50, (1990) (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 228-228 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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    URL: http://dx.doi.org/10.1002/cem.1180060408
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    Software news (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 229-229 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060409
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    On the integration of kinetic models using a high-order taylor series method (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 231-246 
    Details
    ISSN: 0886-9383
    Keywords: Integration methods ; Taylor series method ; Optimization methods ; Kinetic mechanisms ; Kinetic determinations ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A general equation to derive kinetic models up to any order is given. This equation greatly facilitates the application of the Taylor series method to the integration of kinetic models up to very high orders. When dealing with non-stiff models, computing time is always reduced by increasing the integration order, at least up to the 20th order. When the model is stiff, the integration order should be optimized; however, a twelfth order is recommended to integrate weakly stiff models. The use of an algorithm which permits the immediate calculation of the integration step size required to maintain a given accuracy leads to further reductions in computing time. When implemented as recommended here, a high-order Taylor series method is more rapid and accurate than Runge-Kutta and predictor-corrector methods and can be advantageously used in combination with optimization methods to perform mechanism studies and in multicomponent kinetic determinations.
    Additional Material: 6 Ill.
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    Three-dimensional chemical structure handling, Peter Willett, Research Studies Press, Taunton, Somerset, UK, 1991, ISBN 00 86380 121 8 (Wiley Inc. 0 471 93108 X), 241 pp (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 283-284 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060507
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    A review of three-dimensional chemical structure retrieval systems (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 289-305 
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    ISSN: 0886-9383
    Keywords: Chemical structure database ; Conformational searching ; Similarity searching ; Substructure searching ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper presents a review of the rapid developments that have taken place over the last few years for the searching of databases of three-dimensional (3D) molecules. The geometric arrangement of the atoms in a 3D molecule is described by an interatomic distance matrix. This is a form of labelled graph that can thus be searched using the subgraph-isomorphism algorithms that are widely used for searching databases of two-dimensional (2D) molecules. Several in-house and commercial systems have been developed for 3D database searching that are based on such techniques. These systems are reviewed and their effectiveness demonstrated by examples of their use in the discovery of novel, biologically active molecules. Current systems represent a molecule by one or a small number of low-energy conformations and there is hence much interest in the development of representational techniques and searching algorithms that account for the full set of geometric arrangements that can be adopted by a flexible molecule.
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180060602
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    Masthead (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060601
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    Predictive ability of regression models. Part II: Selection of the best predictive PLS model (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 347-356 
    Details
    ISSN: 0886-9383
    Keywords: GOLPE ; PLS ; Regression ; SDEP ; Variable selection ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A procedure called GOLPE is suggested in order to detect those variables which increase the predictivity of PLS models. The procedure is based on evaluating the predictive power of a number of PLS models built by different combinations of variables selected according to a factorial design strategy. Examples are given of the efficiency of this variable selection procedure, which shows how these predictive PLS models are better than those obtained by all variables and better than the corresponding ordinary regression models.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180060605
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    Simple validatory tools for judging the predictive performance of parafac and three-way PLS (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 11-28 
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    ISSN: 0886-9383
    Keywords: Three-way PLS ; PARAFAC ; Unfolding ; Validatory tools ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The methods PARAFAC and three-way PLS are compared with respect to their ability to predict reversed-phase retention values. Special attention is paid to simple validatory tools, the meaning and use of which are explained.
    Additional Material: 12 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180060103
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    Principal variations in the chemical composition of peat: Predictive peat scales based on multivariate strategies (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 41-56 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The principal properties, here called the ρ-scales, of peat have been calculated on the basis of chemical analysis. The scales were derived from quantitative contents of carbohydrates, Klason lignin, amino acids, amino sugars and conventional chemical peat measurements. The variation in the chemical parameters was compressed using principal component analysis (PCA). Partial least squares (PLS) regression was used for prediction of botanical, microbial, physical and dewatering data. A rapid estimation of the scales has been made from near-infrared (NIR) spectroscopy and offers, indirectly, rapidly obtainable, chemically interpretable, biological information. A reduced scale based on carbohydrate data was also tested. The ρ-scales offer an interface between different areas of peat research. Strategies are outlined for the selection of a subset of chemical measurements among the variables used for characterization. A multivariate strategy based on these ideas is discussed.
    Additional Material: 13 Ill.
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    URL: http://dx.doi.org/10.1002/cem.1180060105
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    Masthead (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992) 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060401
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    Which principal components to utilize for principal component regression (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 217-225 
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    ISSN: 0886-9383
    Keywords: Principal component regression ; Calibration ; Optimality ; Principal component selection ; Quantitative structure-activity relationship ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Principal components (PCs) for principal component regression (PCR) have historically been selected from the top down for a reliable predictive model. That is, the PCs are arranged in a list starting with the most informative (PC associated with the largest singular value) and proceeding to the least informative (PC associated with the smallest singular value). PCs are then chosen starting at the top of this list. This paper discusses an alternative procedure of treating PC selection as an optimization problem. Specifically, without any regard to the ordering, the optimal subset of PCs for an acceptable predictive model is desired. Five data sets are analyzed using the conventional and alternative approaches. Two data sets are spectroscopic in nature, two data sets deal with quantitative structure-activity relationships (QSARs) and one data set is concerned with modeling. All five data sets confirm that selection of a subset without consideration to order secures the best results with PCR. One data set is also compared using partial least squares 1.
    Additional Material: 7 Tab.
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    Diary (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. i 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060502
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    Weighted analysis of principal components: Two approximations to statistical weightsPart of the Master of Science Thesis by D.P. (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 257-266 
    Details
    ISSN: 0886-9383
    Keywords: Principal factor analysis ; Factor analysis ; Eigenvalue analysis ; Multivariate analysis ; Weighted factor analysis ; Procrustean analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Two approximate methods for weighted principal components analysis (WPCA) were devised and tested in numerical experiments using either empirical variances (obtained from replicated data) or assumed variances (derived from unreplicated data). In the first (‘spherical’) approximation each data vector was assigned a weight proportional to the geometrical mean of its variances in all dimensions. The arithmetical mean of variances was used instead in the other approximation. Both the numerical experiments with artificial data containing random errors of various kinds (constant, proportional, constant plus proportional, Poisson) and the analysis of two sets of Raman spectra clearly indicated the necessity of introducing statistical weights. The spherical approximation was found to be slightly better than the arithmetical one. The application of statistical weighting was found to improve the performance of PCA in estimation problems.
    Additional Material: 3 Ill.
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    Artificial intelligence in chemistry: Structure elucidation and simulation of organic reactions, Zdzislaw Hippe, Elsevier Science Publishers, Amsterdam, 1991, ISBN 0-444-98746-0 (Vol. 73), 278 pp., Price 240 f1 (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 286-287 
    Details
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cem.1180060509
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    Predictive ability of regression models. Part I: Standard deviation of prediction errors (SDEP)Presented in part at the Euchem Conference held in Trieste, 1988, and at the Symposium on Chemometrics held in Holmsund, 1989. (1992)
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 6 (1992), S. 335-346 
    Details
    ISSN: 0886-9383
    Keywords: Predictive ability ; Regression ; PLS ; SDEP ; Cross-validation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The standard deviation of prediction errors (SDEP) is used to evaluate and compare the predictive ability of some regression models, namely MLR, ACE and linear and non-linear PLS, the last being the best one. The parameter is determined by a cross-validation approach as an average of several runs obtained on forming groups in a random way. The variation in SDEP with the number of latent variables in PLS is also discussed.
    Additional Material: 3 Ill.
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    High resolution gas chromatography: Simultaneous detection of narcotics, adulterants, and diluents in street samples (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 140-141 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary columns ; Narcotics: street samples ; Narcotics, adulterants and diluents: simultaneous determination ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070308
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    Enantiomer separation of some aromatic carboxylic acids by HPLC on a chemically bonded β-cyclodextrin stationary phase (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 147-148 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography ; HPLC ; Racemate separation ; β-Cyclodextrin stationary phase ; Cyclohexylphenylglycolic acid ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070311
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    A simple effluent splitter for capillary gas chromatography (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 154-155 
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    ISSN: 0935-6304
    Keywords: Capillary gas chromatography ; Effluent splitter ; Dual detection ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070315
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    Chromatography calendar (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 165-166 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070320
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    HPLC on 3,5-dinitrobenzamidopropyl silica gel (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 160-161 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography HPLC ; Bonded phases ; 3,5-Dinitrobenzamidopropyl silica gel ; Charge transfer interaction ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070318
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    High performance thin layer chromatography - densitometric method for content uniformity test of lanatoside C tablets (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 161-164 
    Details
    ISSN: 0935-6304
    Keywords: High-performance-thin layer chromatography, HPTLC ; Zirconium oxychloride ; Backside fluorodensitometric detection on TLC plate ; Content uniformity test for lanatoside C tablets ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070319
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    Developments in pyrolysis capillary GC (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 172-184 
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    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 11 Ill.
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    Multilayer effects in liquid adsorption chromatography with mixed mobile phases (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 203-207 
    Details
    ISSN: 0935-6304
    Keywords: Liquid adsorption chromatography, LSC, HPLC ; Multilayer effects in LSC ; HPLC with mixed mobile phase ; HPLC theory ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper describes the theory of liquid adsorption chromatography (LSC) with mixed mobile phase, involving formation of multilayer surface phases. An equation describing the dependence of the capacity ratio upon the mobile phase composition is derived and theoretical curves illustrating the same dependence are calculated accordingly by assuming different thicknesses of the surface phase.
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    Separation of distearoylphosphatidylcholine, dipalmitoylphosphatidylcholine, and dioleylphosphatidylcholine by thin-layer chromatography using new modified plates (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 211-212 
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    ISSN: 0935-6304
    Keywords: Thin layer chromatography, TLC ; Alkylchlorosilanes ; Phosphatidylcholines ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
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    Masthead (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984) 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070501
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    Reversed-phase separation of tetodotoxin and its oxidized derivative at the C11-position detected spectrophotometrically at 195 nm (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 265-267 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; C18-silica ; UV-detection ; Tetrodotoxin ; Oxidized derivative ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070506
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    High performance liquid chromatography determination of prochloraz residues in citrus fruit (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 268-270 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; Citrus fruit ; Fungicide residues ; Prochioraz ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    High resolution gas chromatography (HRGC) of the lipids extracted from blood serum (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 274-276 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary column, glass ; Liquid-liquid and liquid-solid extraction ; Serum lipids ; Fatty acids ; Cholesterol and cholesteryl esters ; Triglycerides ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    Picomole amounts of methyl chloride by reaction gas chromatography (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 280-281 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Reaction GC ; Iodination reactor ; Electron capture detection ; Trace analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070512
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    Chromatography calendar (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 289-291 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070516
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    The optimized separation of aromatic carboxylic acids by HPLC (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 375-381 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; Reverse phase columns ; Window diagrams ; Aromatic carboxylic acids ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The optimization of the separation of eight aromatic carboxylic acids, using Hypersil SAS and MOS reverse phase columns, with respect to eluent (methanol : water) composition, pH, and temperature, is described. Window diagram techniques are used and the pH of the aqueous buffer and elution temperature are shown to be more critical than eluent composition.
    Additional Material: 11 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070707
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    Enantiomeric separation of halocarboxylic acids by capillary gas chromatography (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 398-403 
    Details
    ISSN: 0935-6304
    Keywords: Capillary gas chromatography ; Enantiomeric separation ; Racemization ; Halocarboxylic acids ; Amide derivatives ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The direct determination of the enantiomeric purity of halocarboxylic acids is described. The method used involves gas chromatographic separation of the corresponding tert-butylamides on deactivated glass or fused-silica capillaries coated with Chirasil-Val. Both the influence of the amide moiety on enantiomeric resolution and tailing, and the racemization during formation of the amide derivatives were studied.
    Additional Material: 2 Ill.
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    Device for injection of absorbent-trapped compounds on to a WCOT column (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 477-479 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Glass capillary column ; Adsorbent ; Cold trapping ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070806
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    Analysis of pesticide residues by high resolution gas chromatography. Part 1: Comparison between packed and capillary columns in pesticide residue determinations. Practical considerations for routine use of capillary gas chromatography (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 480-484 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Packed and capillary columns ; Fungicides and insecticides ; Adsorption ; Length of column ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070807
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    Sensitization of thiamine analysis by the peak compression technique (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 490-491 
    Details
    ISSN: 0935-6304
    Keywords: Column liquid chromatography, HPLC ; Peak compression technique ; Precolumn derivatization ; Thiamine compounds ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070810
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    Product news (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 499-500 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070814
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    Masthead (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984) 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070901
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    Characterization of OV-1/FFAP-mixture coated glass capillary columns used for the separation of free fatty acids (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 509-514 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography, GC ; OV-1/FFAP mixed phase, high-temperature ; silylated glass capillary ; Polar phase-coated HTS capillary ; Golay curves of mixed phases ; Thermal and long-term stability of OV-1/FFAP ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: As an alternative to acid pretreated UCON and FFAP capillaries for the analysis of wide-boiling free fatty acid mixtures, OV-1 : FFAP phase mixtures were used on high-temperature silylated inert glass capillary columns. The HETP-carrier gas velocity curves, peak asymmetry factors, coating efficiency, gas phase and stationary phase contributions to the mass transfer resistance were determined for various OV-1 : FFAP ratios. Mixed-phase capillaries showed optimum performance at a 2 : 1 OV-1 : FFAP ratio. The thermal and long-term stability of OV-1-stabilized FFAP columns surpassed those of the UCON and pure FFAP reference column used.
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070903
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    The length of the zone flooded by the injection of large volumes onto retention gaps in capillary GC (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 531-532 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography, GC ; Capillary columns ; Retention gaps ; Large sample volumes ; Flooded zone ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070908
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    High speed zone electrophoresis in open-tubular fused silica capillaries (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 529-531 
    Details
    ISSN: 0935-6304
    Keywords: Capillary electrophoresis ; High resolution separation ; High speed analysis ; Dansyl amino acids ; Fluorescamine labeled peptides ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 4 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070907
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    Advantages and limits of the quantitative determination of α-ferrocenyl carbinols with capillary GC (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 536-537 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary column ; On-Column injection ; Vaporizing injection ; Decomposition ; α-Ferrocenyl carbinols ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
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    The Analysis of volatile compounds by purge and trap with whole column cryotrapping (WCC) on a fused silica capillary column (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 504-508 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Fused silica capillary columns ; GC/MS/DS ; Cryotrapping and cryofocussing of organics ; Purgeable compound analysis ; Trace organic analysis ; Priority pollutants ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The purge and trap (P&T) method of analysis has been interfaced with fused silica capillary column gas chromatography. This interfacing has been accomplished without splitting the P&T trap desorption carrier gas. Thus, 100% of the purged compounds are transferred to the column. The analytes are cryofocussed on the column using whole column cryotrapping (WCC) at -80°C. The resulting P&T/WCC procedure is extremely well-suited to the analysis of trace purgeable aqueous organic compounds. Samples and standards containing a variety of aromatic standard compounds were analyzed. The standards included benzene, toluene, ethylbenzene, xylenes, C3-C4-benzenes, and naphthalene, as well as three P&T internal standard compounds. Chromatographic peak widths were uniformly less than 6 s at the base and excellent precision was obtained in the relative retention time data for all compounds. The chromatogram of a groundwater sample contaminated with aromatic gasoline compounds is also presented. Since P&T/WCC works well with fused silica capillary columns, the full sensitivity and chromatographic efficiency of capillary gas chromatography is made available to P&T analyses.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070902
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    Optimization of retention time of aromatic acids in liquid chromatography from log P and predicted pKa valuesThis paper was presented at VIIth International Symposium on Column Liquid Chromatography, Baden-Baden, May (1983) (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 524-528 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; Reversed phase mode ; Prediction of retention time ; Prediction of pKa ; Hydrophobic fragmental constant ; Aromatic acids ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: For optimization of liquid chromatography separations, several approaches have been reported, among them the use of the hydrophobic fragmental constant, as proposed by Rekker [1]. The fragmental constant is derived from the partition coefficients of various solutes between octanol and water and represents a summation of solubility parameters: van der Waals volume, π - π interactions, hydrogen bonding, etc. With these constants the optimization of reversed phase mode liquid chromatography using octadecyl bonded silica gels as packing was feasible, although large error was found for the eluent with a high concentration of organic modifier or water. This is probably due to the heterogeneous solvation of the surface of the packings and to various solvent effects. In addition, when the acid dissociation constant was known, the retention times of aromatic acids in the ionic form were also predicted using the hydrophobic fragmental constant and the dissociation constant. By comparison of the previous data and a method proposed by Perrin et al. [2] it was possible to predict the dissociation constant of aromatic acids and optimize separation in reversed phase mode liquid chromatography using octadecyl bonded silica gels as packing. Furthermore, an equation for calculating the capacity ratios in a given pH eluent was proposed and the predicted and observed capacity ratios of aromatic acids in several eluents were examined in order to improve the above system.
    Additional Material: 4 Tab.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070906
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    Kovats retention indices of selected olefins on bonded phase fused silica capillaries (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 542-544 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Fused silica (capillary) columns ; Bonded (cross-linked) phases ; Hydrocarbon analysis ; Olefinic hydrocarbons ; Retention index data ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Tab.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070913
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    Analysis of mutagenic amino acid pyrolyzates with a fused silica capillary column (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 563-565 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography, GC ; Fused silica capillary columns ; Amino acid pyrolysates ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this study, application of a fused silica capillary column for analysis of major mutagenic heterocyclic compounds found in cooked foods was investigated.
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240071003
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    Valveless flow switching using constant flow controllers (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 577-577 
    Details
    ISSN: 0935-6304
    Keywords: Multidimensional gas chromatography, MGC ; Deans System ; Temperature programming ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240071006
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    HPLC analysis of steroid esters (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 584-586 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; Normal and reversed phases ; Steroid esters ; Long-acting contraceptive ; Injectable contraceptives ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240071010
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    HPTLC separation of PGF2α, PGE1, PGE2, PGA1 prostaglandins and quantitative determination in situ by induced fluorescence (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 593-595 
    Details
    ISSN: 0935-6304
    Keywords: High performance thin layer chromatography, HPTLC ; Fluorescence ; Prostaglandins ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240071013
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    Product news (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 601-604 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240071017
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    Solute focusing using the solvent effect  -  A mass spectrometric investigation of packed bed inlets (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 142-143 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Solute focussing ; Solvent effect ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070309
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    Determination of silanol groups on surface of sorbents for HPLC (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 153-154 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; Silanized silica for HPLC ; Surface silanol groups ; Dimethylzinc tetrahydrofuranate ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070314
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    High performance liquid chromatography profiling of prostaglandins (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 156-157 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; HPLC profiling ; Prostaglandins ; High speed HPLC ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070316
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    Multi-mode liquid chromatography of polystyrenes on phenyl-bonded phase (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 158-159 
    Details
    ISSN: 0935-6304
    Keywords: Multi-mode liquid chromatography ; Adsorption chromatography ; Size exclusion chromatography ; Phenyl-bonded phase ; Styrene oligomers ; Polystyrene polymers ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070317
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    Effect of column diameter on efficiency in capillary supercritical fluid chromatography (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 312-318 
    Details
    ISSN: 0935-6304
    Keywords: Supercritical fluid chromatography ; Capillary column ; Column diameter ; Efficiency ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Fused silica capillary columns with internal diameters from 100 to 25 μm were coated with SE-54 and evaluated under supercritical fluid chromatographic conditions using carbon dioxide as mobile phase. Experimental results compared well with theoretical predictions. At ten times the optimum mobile phase velocity and for a capacity factor, k of 3, efficiencies of 2300 to 5600 plates m-1 were obtained for column diameters of 100 to 25 μm, respectively.
    Additional Material: 6 Ill.
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    Open tubular column gas chromatography: Theory and practice. Milton L. Lee, Frank J. Yang Keith D. Bartle John Wiley & Sons, New York, 1984, X + 445 pp., US $ 48.00. (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 327-327 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070607
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    Deactivation of fused silica capillary columns with polymethylhydrosiloxanes (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 329-332 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Fused silica capillary columns ; Deactivation ; Polymethylhydrosiloxanes ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070608
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    Multidetection of pesticides in capillary gas chromatography (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 338-339 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Pesticides ; Multidetection ; ECD-NPSD-SSD ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
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    URL: http://dx.doi.org/10.1002/jhrc.1240070613
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    Product news (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 345-350 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070616
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    Editorial (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 355-355 
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    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070702
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    Analysis of gases containing inorganic compounds and light hydrocarbons on fused-silica open-tubular columns prepared with a thick liquid phase filmEnlarged text of a paper presented at the 35th Pittsburgh Conference on Analytical Chemistry and Applied Spectroscopy, Atlantic City, NJ, USA, March 5-9, 1984. (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 358-369 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary columns ; Thick liquid phase films ; Natural and refinery gases ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Capillary columns having a thick liquid phase film and a low phase ratio permit the separation of low molecular mass compounds which would have a very small capacity factor on columns with a classical thin film. At the same time, the increased sample capacity allows conventional hot-wire thermal conductivity detectors to be used with such columns. The analysis of natural and refinery gases, containing both inorganic compounds and light (C1—C7) hydrocarbons, utilizing a combination of hot-wire and flame ionization detectors, is demonstrated.
    Additional Material: 10 Ill.
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    Optimization of capillary parameters for gas chromatography (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 382-388 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary columns ; HETP equation ; Optimum column parameters ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An HETP equation for the capillary column is developed that takes into account the dependence of gaseous diffusion on pressure, the compressibility of the mobile phase, together with the unique relationship between mobile phase velocity, and the resistance to mass transfer in the stationary phase. The equation is used to develop a procedure for column optimization and expressions are derived that allow the optimum column radius and optimum column length to be calculated for a given fixed inlet pressure. It is shown that fast, simple separations are optimally achieved using relatively short small diameter columns. Conversely, optimum performance for the separation of complex mixtures requiring higher efficiencies requires the use of long columns with relatively large diameters.
    Additional Material: 5 Ill.
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    On the potential of CGC in triglyceride analysis (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 431-432 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography ; Capillary columns ; Triglycerides ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070716
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    Effect of stationary phase film thickness on efficiency in capillary supercritical fluid chromatography (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 423-428 
    Details
    ISSN: 0935-6304
    Keywords: Capillary column ; Supercritical fluid chromatography ; Stationary phase film thickness ; Efficiency ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Fused-silica capillary columns with internal diameters of 50 μm were coated with 0.25 to 1.0 μm films of SE-54 and evaluated under supercritical fluid chromatographic conditions using carbon dioxide as mobile phase. Experimental results compared well with theoretical predictions. There was no significant difference in hmin or ūopt for film thicknesses from 0.25 to 1.0 μm over k = 1 to 5. At a film thickness of 1.0 μm, calculations indicate that approximately 10% resolution loss would be expected for solutes with k = 1.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070714
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  • 95
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    Chromatography calendar (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 433-435 
    Details
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070717
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  • 96
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    Determination of nitrated-polyaromatic hydrocarbons (nitro-PAHs) in environmental samples by high resolution chromatographic techniques (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 389-397 
    Details
    ISSN: 0935-6304
    Keywords: Low and high resolution liquid chromatography ; Gas chromatography ; Capillary columns ; Alkali flame detection ; Chemical ionization mass spectrometry ; Nitro-PAHs ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An analytical procedure is described for the fractionation of organic compounds present in environmental samples and the determination of nitro polyaromatic hydrocarbons (nitro-PAHs). Both low and high resolution liquid chromatography are employed for the prefractionation of the soluble organic fraction (SOF) extracted from particulate matter or gaseous pollutants collected on adsorption traps. High resolution gas chromatography is used to analyze four fractions containing alkanes, PAHs, nitro-PAHs, and other polar PAHs. Nitrogen-containing species are separated by GC and detected specifically using an alkali flame (NPD) detector. Flame ionization (FID) detection, GC-MS of positive ions, and negative ion chemical ionization MS of the whole fraction is used for the identification and quantitation of the various components. The composition of SOF extracted from particulate matter emitted from diesel exhausts is elucidated and a large number of nitro-PAHs identified by the combination of the various techniques.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070709
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    HPLC of nucleotides. II. General methods and their development for analysis and preparative separation. An approach to selectivity controlThis review was presented at the Budapest Chromatography Conference, June 1983, as a report and two posters. Part of it was included in [1]. Abbreviations: r - denotes ribonucleotides; d - (deoxy) is omitted; p - denotes terminal phosphate groups; internucleotide phosphate groups also are omitted. (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 442-460 
    Details
    ISSN: 0935-6304
    Keywords: Liquid chromatography, HPLC ; General methods of nucleotide HPLC ; Molecular and ionic basis of separation ; Two-dimensional separation ; Stationary phase; selectivity to nucleotide size and composition, selectivity control ; Mobile phase (solvent, salt, pH), influence on retention and selectivity ; Guard-column functions ; Column loadability and packing, consolidation of bed particles ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In order to develop efficient separation methods for nucleotides according to their size and heterocyclic composition, the application of ion-exchange, reverse-phase, and normal-phase adsorption HPLC has been studied. The comparative investigation of retention power and selectivity of various packings (non-polar bonded-phase and amino silicas) in relation to nucleotide length and composition yields data which enable suitable packings to be selected and a method of preparing the new packing for a particular separation problem to be formulated. Thus a new anion exchanger with high selectivity and dynamic mass transfer has been prepared for fractionation of large oligonucleotides. The effect of the eluent pH and composition (organic modifier, salt) on retention, selectivity, and resolution in ion-exchange and reverse-phase HPLC has been studied. The optimum separation conditions comprise elution with oppositely directed gradients of the salt and the modifier, use of a precolumn packing that provides the best protection for the main column without loss of its efficiency, and the optimum gradient program for the desired retention of the component of interest. The relation between loading and sample concentration has been studied and the system for gradient elution improved. Our work shows that two-dimensional separation is the most reliable and informative method for preparation of homogeneous oligonucleotides. The hydrophobic-pair ion-exchange mechanism is proposed for ion-pair chromatography. Protected and partially deblocked oligonucleotides, chemically synthesized for genetic engineering studies, have been separated with high selectivity by adsorption (normal-phase) HPLC which is efficient for gradient elution with isohydric eluents. The analysis of a monomeric composition of nano-(pico-) molar amounts of oligonucleotides has been developed; the procedure involves microcolumn digestion of the oligonucleotides with immobilized enzymes followed by microcolumn separation of the nucleoside-mononucleotide mixture. Also, a new slurry method for packing stable HPLC columns with a tightly consolidated, nonshrinkable bed of particles has been developed.
    Additional Material: 31 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240070802
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  • 98
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    Gas chromatographic separation of sugars by on-column injection on glass capillary columns (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 558-562 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography, GC ; Capillary columns, glass ; On-column injection ; Sugars ; Oligosaccharides ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Sugars were separated gas chromatographically on short apolar glass capillary columns by using cold, on-column injection (OCI) techniques. After silylation, oligomers up to the hexasaccharides could be efficiently separated in resonable retention times. Response factors of silylated sugars were determined as a function of varying sample amounts and concentrations. The optimum injection amount was found to be 1 μl in heptane as solvent.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240071002
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  • 99
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    Non-suppressed ion chromatography of carbonate and nitrite on steel surfaces (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 580-581 
    Details
    ISSN: 0935-6304
    Keywords: Ion chromatography, IC ; Steel surface analysis ; Carbonate, chloride, nitrite ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240071008
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  • 100
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    Gas chromatographic determination of residual ethylene oxide in gas-sterilized, medical-grade plastics (1984)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 7 (1984), S. 587-589 
    Details
    ISSN: 0935-6304
    Keywords: Gas chromatography, GC ; Packed glass columns ; Solvent extraction ; Plastics ; Ethylene oxide ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jhrc.1240071011
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