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  • 1990-1994  (10,607)
  • 1980-1984  (5,695)
  • Analytical Chemistry and Spectroscopy  (11,781)
  • Engineering General  (4,521)
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Year
  • 101
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 147-154 
    ISSN: 0886-9383
    Keywords: RAFA ; GRAM ; Eigenvalue problem ; Complex solution ; Degenerate solution ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Rank annihilation factor analysis (RAFA) is a method for multicomponent calibration using two data matrices simultaneously, one for the unknown and one for the calibration sample. In its most general form, the generalized rank annihilation method (GRAM), an eigenvalue problem has to be solved. In this first paper different formulations of GRAM are compared and a slightly different eigenvalue problem will be derived. The eigenvectors of this specific eigenvalue problem constitute the transformation matrix that rotates the abstract factors from principal component analysis (PCA) into their physical counterparts. This reformulation of GRAM facilitates a comparison with other PCA-based methods for curve resolution and calibration. Furthermore, we will discuss two characteristics common to all formulations of GRAM, i.e. the distinct possibility of a complex and degenerate solution. It will be shown that a complex solution-contrary to degeneracy-should not arise for components present in both samples for model data.
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  • 102
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 103
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 179-180 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 104
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 287-292 
    ISSN: 0886-9383
    Keywords: Rank annihilation ; Principal components ; Procrustes rotation ; Multivariate analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: It is shown that the DATa ANalysis (DATAN) algorithm can be expressed in terms of rank annihilation factor analysis (RAFA). Subsequent advances in RAFA are applied to DATAN to eliminate the problems and restrictions associated with DATAN. The extension of DATAN in terms of the trilinear decomposition algorithm is discussed.
    Additional Material: 1 Ill.
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  • 105
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 106
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 107
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 365-370 
    ISSN: 0886-9383
    Keywords: Censored data ; ECM and EM algorithms ; Incomplete data ; Maximum likehhood ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The purpose of this short communication is to illustrate the use of conditional maximization (CM) in chemometric applications. The CM algorithm is useful in reducing the computational complexity when a high-dimensional and complicated maximization problem arises from fitting chemometric models. It can also be efficiently combined with the expectation-maximization (EM) algorithm for handling incomplete data, a problem that sometimes arises when only a part of the intended data can be collected. Three models from fluorescence spectroscopy are used for illustration.
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  • 108
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 109
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 423-437 
    ISSN: 0886-9383
    Keywords: Resolvability ; Evolutionary factor analysis ; Variable selection ; Window factor analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A method for selecting variables in the non-sequential direction of a two-way data matrix (e.g. wavelength in diode array HPLC) is described. Composition 1 and 2 resolvability indices are calculated according to the size of eigenvalues of uncentred data matrices as a window is moved along the sequential direction. A double-window technique is then performed where resolvability indices are calculated as a window is moved along the non-sequential direction. Some regions have higher resolvability indices and hence are more useful for resolution. Variables are ranked according to resolvability. Two simulations are analysed and it is shown that it is possible to obtain good resolution on a small subset of the original variables.
    Additional Material: 5 Ill.
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  • 110
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. i 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 111
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 45-63 
    ISSN: 0886-9383
    Keywords: GRAM ; GSVD ; Propagation of errorS ; Correlated noise ; Uncorrelated noise ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The effects of correlated and uncorrelated random errors on the precision of predicted quantitative and qualitative information obtained by analysis with the generalized rank annihilation method (GRAM) are shown. These are discussed in terms of propagation of errors through the algorithm. The effects of colinearity, noise level and noise distribution are compared and discussed.
    Additional Material: 10 Ill.
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  • 112
    Electronic Resource
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 97-98 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 113
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 114
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 155-168 
    ISSN: 0886-9383
    Keywords: Trilinear models ; Tensorial resolution ; PARAFAC ; Swamps ; Two-factor degeneracy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The alternating least squares PARAFAC algorithm is a useful tool for resolving trilinear three-way data arrays. Occasionally, however, it becomes bogged down for many iterations in the vicinity of a poor quality resolution before moving on to a much superior optimum fit. We investigate this behavior in a simulation study and suggest ways of overcoming the obstacles it presents.
    Additional Material: 5 Ill.
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  • 115
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    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 205-219 
    ISSN: 0886-9383
    Keywords: Fractional factorial design ; Significant effects ; ANOVA ; Probability plotting ; Bayes plot ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper presents a method for identifying significant effects in fractional factorial designs. The method is based on comparing functions of the estimated effects with a scale invariant reference distribution. The method is illustrated and compared with alternative techniques on a dataset from processed cheese production. The method corresponded well to other methods (probability plotting and Bayes plot) that do not make use of error estimates. These methods were better than F-tests with few (two or four) degrees of freedom for error.
    Additional Material: 2 Ill.
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  • 116
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994) 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 117
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 245-261 
    ISSN: 0886-9383
    Keywords: Factor analysis ; Spectral resolution ; Two-dimensional luminescence ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A factor analysis algorithm that estimates the spectra of mixture components using the set of most dissimilar rows and/or columns is described and illustrated. This algorithm uses the distance as a measure of spectral similarity and is suitable for application to a variety of the bilinear matrix-formatted data types produced by hyphenated and multidimensional analytical techniqes. The algorithm requires that the data matrix contain at least one row or column that corresponds to the pure spectrum of each component to effect accurate spectral resolution. The performance of the method is illustrated using the resolution of excitation and emission spectra of up to four components from experimental fluorescence excitation-emission matrices (EEMs). In the case of the EEM, characteristic bands in an emission spectrum effect resolution of the excitation spectrum of the corresponding component, while characteristic bands in an excitation spectrum lead to resolution of the corresponding emission spectrum. The use of the set of most dissimilar rows and columns to evaluate the degree of overlap in the component spectra and compare the quality of row and column solutions is also described.
    Additional Material: 6 Ill.
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  • 118
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 293-294 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 119
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 295-296 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 120
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 303-303 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 121
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 373-373 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 122
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 8 (1994), S. 445-446 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 123
    Electronic Resource
    Electronic Resource
    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994) 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 124
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    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 1-9 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An iterative method is introduced for computing second-order partial derivatives (sensitivities) of eigenvalues and eigenvectors of matrices which depend on a number of real design parameters. Numerical tests confirm the viability of the method and support our theoretical analysis. Alternative methods are reviewed briefly and compared with the one proposed here.
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  • 125
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    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 11-19 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In the formulation of the semi-Loof element the rotation of the tangent plane is derived from the interpolation of the transverse displacement, while the rotation of the normal is interpolated separately by another set of shape functions. The geometric stiffness matrix can be formulated by use of either of the two rotation representations. It is demonstrated that the use of the tangent plane representation in the geometric stiffness matrix is far superior to the common form at present.
    Additional Material: 4 Ill.
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  • 126
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    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 21-32 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An efficient solution to boundary-value problems may be based on the application of a suitably truncated T-complete set of Trefftz functions over individual subdomains and on linking the fields by a least-squares procedure. Although it yields a symmetric system of linear equations, this approach as originally presented by Zielinski and Zienkiewicz is not suited for implementation into FE codes. The present paper presents two equivalent formulations, which take respectively the form of the finite (FE) and non-conventional boundary-element (BE) approach. Both allow the resulting simultaneous equations to be assembled following the standard direct stiffness methods and can readily be implemented into existing FE codes.As in the conventional p-method, the accuracy may be controlled within large limits without increasing the number of elements. The present approach allows substantial saving in computer time in comparison with the so-called hybrid-Trefftz (HT) elements, though the assumed displacement fields are identical. The practical efficiency of the new T-element approach is assessed on the problem of stress concentration in a symmetrically compressed perforated panel.
    Additional Material: 6 Ill.
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  • 127
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    Communications in Numerical Methods in Engineering 10 (1994), S. 167-178 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A sixth-order polynomial shape function is developed for BIE analysis. The function is applied over only three-noded elements, but with the support for the function extending over adjacent elements. This avoids the oscillations near the ends of the range which otherwise are characteristic of high-order polynomial interpolation. Various test problems are explored, and it is shown that results as accurate as those from conventional quadratic elements are obtained with larger nodal spacings, and thus giving the potential for significant reductions in matrix storage requirements and solution times.
    Additional Material: 9 Ill.
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  • 128
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    Communications in Numerical Methods in Engineering 10 (1994), S. 155-166 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A finite element formulation based on superposition is proposed for a lifting aerofoil in incompressible potential flow. An accuracy improvement technique for the singularity at the aerofoil trailing edge is discussed. It is shown that the quarter-node quadrilateral element can be readily employed to simulate this singularity. It is also demonstrated that the circulation in the flow field can be easily represented by a single constraint equation rather than introducing an artificial cut line in the mesh. The influence of finite-element mesh size on solution accuracy and the correct form of the boundary condition have been investigated as well. Numerical examples are given for both steady and quasisteady Joukowski aerofoils of various thicknesses and at a range of incidences. In all test cases, good agreement is observed between the analytical solution and the numerical result.
    Additional Material: 6 Ill.
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  • 129
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    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994) 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 130
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    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 10 (1994), S. 183-194 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An 8-node element (HMITC) for 3D non-linear analysis of solids is presented. The new element is based on an element developed by Wilson and Ibrahimbegovic, that incorporates incompatible modes, and on the method of mixed interpolation of tonsorial components. The HMITC element does not contain spurious zero energy modes and satisfies Irons' Patch Test. The numerical experimentation indicates that the HMITC has good performance even with distorted meshes.
    Additional Material: 6 Ill.
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  • 131
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    Communications in Numerical Methods in Engineering 10 (1994), S. 203-215 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In this paper we consider an explicit finite-element method, with elements adaptively oriented in space-time, for the solution of one-dimensional conservation laws, extending previous work dealing with linear convection-diffusion and incompressible flow. In particular we consider Burgers' equation and the compressible Euler equations.
    Additional Material: 8 Ill.
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  • 132
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    Communications in Numerical Methods in Engineering 10 (1994), S. 195-201 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A numerical method, based on neural-network-based functions, for solving partial differential equations is reported in the paper. Using a ‘universal approximator’ based on a neural network and point collocation, the numerical problem of solving the partial differential equation is transformed to an unconstrained minimization problem. The method is extremely easy to implement and is suitable for obtaining an approximate solution in a short period of time. The technique is illustrated with the aid of two numerical examples.
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  • 133
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    Communications in Numerical Methods in Engineering 10 (1994), S. 217-225 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An efficient algorithm for consideration of axial and cyclic symmetry in the boundary-element method is presented. The appropriate transformation relationships was derived. The algorithm is then implemented in a boundary element program for the analysis of 2D elastostatic problems. Through analysis of typical problems the validity of the algorithm and its implementation is verified. A high level of accuracy and substantial reduction in computer time and storage was achieved.
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  • 134
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    Communications in Numerical Methods in Engineering 10 (1994), S. 227-235 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The diffusion of oxygen into an absorbing medium as an example of an implicit moving boundary problem has been dealt with by a number of authors using various numerical techniques, and, where appropriate, approximate analytical expressions. To evaluate the time for complete absorption, extrapolation is usually employed. An unconditionally stable explicit numerical scheme that avoids the limitations of such methods is presented and tested herein. Unlike existing schemes this method is fully numerical; it avoids the large array size, generally required for existing methods, by using a variable-length time step. The time for complete absorption emerges from the final step in the normal computing procedure with no recourse to extrapolation. Furthermore, owing to the implicit condition prevailing at the moving boundary, no iterations are needed to evaluate the time step required for the moving boundary to move a single space increment. The numerical results obtained compare very favourably with those due to earlier authors.
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  • 135
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    Communications in Numerical Methods in Engineering 10 (1994), S. 237-248 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In the paper we have developed a new formulation for solution of structural-acoustic coupling problems by boundary elements using the multiple reciprocity method. It is assumed that the structure is composed of plate components and is excited by the external or the internal noise source. The efficiency of the proposed formulation becomes especially remarkable if the boundary-value problem is to be solved repeatedly for different values of frequency. The accuracy of the numerical computations has been compared with the analytical solution in a test example.
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  • 136
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    Communications in Numerical Methods in Engineering 10 (1994), S. 257-265 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Techniques for stress- and strain-controlled in situ homogenization of inelastic periodic composites are presented. The results of homogenization computations on a specific elastoplastic composite solid are then employed to validate the form of an orthotropic elastoplasticity model with a tensorial kinematic hardening law.
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  • 137
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    Communications in Numerical Methods in Engineering 10 (1994), S. 249-255 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An algorithm for evaluation of friction in general contact-impact interfaces is described. The algorithm is based on an explicit finite-element method. Coulomb's friction law is assumed. The defence node algorithm is used such that the sticking condition can be imposed with the Lagrange multiplier method even in explicit dynamic analysis. The algorithm is supposed to be applicable in general situations, including large deformations of the contact-impact bodies and large relative sliding between the contact-impact boundaries. Numerical results are presented to demonstrate the performance of the algorithm.
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  • 138
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    Communications in Numerical Methods in Engineering 10 (1994), S. 275-277 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 139
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    Communications in Numerical Methods in Engineering 10 (1994) 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 140
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    Communications in Numerical Methods in Engineering 10 (1994), S. 267-273 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A generalization of the r(1-m)/m strain singularity of higher-order isoparametric elements is presented. It is shown that, by variable placement of the side nodes between their original and singular positions, the point of singularity sensed by the element can be controlled. The transition elements have a strain singularity outside their domain. The singular and non-singular elements are elements are special cases of the general mapping. The transition elements, together with the singular isoparametric elements, can be used for solving crack problems.
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  • 141
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    Communications in Numerical Methods in Engineering 10 (1994), S. 279-290 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In the design of members with flaws, it is necessary to keep the stress intensity factor K of any sharp crack below the fracture toughness Kcr of the materials. Stress-intensity factor equations for the more common basic specimen geometries and various loading conditions are available in the literature. The application of these equations to complex structures involves geometric problems such as the identification of the outline of each member and the sizing of the equivalent specimen for each flaw. The paper gives a response to such difficulties.
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  • 142
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    Communications in Numerical Methods in Engineering 10 (1994), S. 303-312 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A simple, yet storage-effective ‘linear’ programming code is given. The assumption of non-negative variables is bypassed without increasing the size of the problem. Furthermore, the objective is allowed to be summed over not just linear, but also concave, functions. A specific truss topology optimization example is shown.
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  • 143
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    Communications in Numerical Methods in Engineering 10 (1994), S. 291-296 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: We propose in this paper a nine-point, fourth-order difference method for the numerical solution of the quasilinear Poisson equation \documentclass{article}\pagestyle{empty}\begin{document}$$ Au_{zz} + \frac{1}{r}u_r + Bu_{rr} = f\left({r,z,u,u_r,u_z} \right) $$\end{document} with appropriate boundary conditions. The method is based on five evaluations of f. The numerical results of four problems obtained using this method are listed. The results demonstrate the fourth-order accuracy of the method.
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  • 144
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    Communications in Numerical Methods in Engineering 10 (1994), S. 297-302 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Singularly perturbed second-order elliptic equations with boundary layers are considered. These may be considered as model problems for the advection of some quantity such as heat or a pollutant in a flow field or as linear approximations to the Navier-Stokes equations for fluid flow. Numerical methods composed of central-difference operators on special piece-wise-uniform meshes are constructed for the above problems. Numerical results are obtained which show that these methods give approximate solutions with error estimates that are independent of the singular perturbation parameter. An open theoretical problem is posed.
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  • 145
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    Communications in Numerical Methods in Engineering 10 (1994), S. 313-320 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In the paper we present a superconvergent patch recovery technique for obtaining higher-order-accurate finite-element solutions and thus a postprocessed type of L2 norm error estimate. Two modifications make our procedure different from the one proposed by Zienkiewicz and Zhu (1992), in which higher-order-accurate derivatives of the finite-element solution at nodes are determined. Firstly, the recovery process is made for element, not for nodes. An ‘element patch’, which represents the union of an element under consideration and the surrounding elements, is introduced. Secondly, the local error estimate is calculated directly from the improved solution for this element. Numerical tests on both 1D and 2D model problems show that this method can provide an asymptotically exact a posteriori L2 norm error estimate if the used element possesses superconvergent points for the solutions.
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  • 146
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    Communications in Numerical Methods in Engineering 10 (1994), S. 321-331 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A new approach to developing serendipity quadrilateral infinite elements is presented. Using these elements universal matrices for quasiharmonic equation are developed. For a particular member of the family these matrices are independent of the size and shape of the element. Using these matrices the element stiffness matrix can be generated in a simpler manner by taking into account the size and shape of the element.
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  • 147
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    Communications in Numerical Methods in Engineering 10 (1994), S. 333-338 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A new global secant relaxation (GSR)-method-based improvement procedure is used to improve the overall convergency performance of the modified Newton-Raphson iteration in carrying out the solution of discrete systems resulting from the finite-element discretization of a certain class of structural problems involving non-linear deformation behaviour.
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  • 148
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    Communications in Numerical Methods in Engineering 10 (1994), S. 339-353 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Theoretical and experimental analysis of free-surface electrohydrodynamic flow is fragmented and incomplete. Simulation studies of this phenomenon are further limited by the inherent complexities in the modelling process. In this note a mathematical model is developed to analyse free-surface electrohydrodynamic flow in two dimensions, and preliminary results of the simulation are described. The configurations examined include electrified conducting surfaces, the dielectrophoretic forces, and a conducting jet. The simulation is compared with analytical results in the first two investigations and is shown to be quite accurate. In the last simulation it is demonstrated that in the initial formation of a conducting jet, a 10 per cent increase in applied voltage results in about a 10 per cent increase in fluid velocity.
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  • 149
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    Communications in Numerical Methods in Engineering 10 (1994), S. 355-357 
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    Keywords: Engineering ; Engineering General
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  • 150
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    Communications in Numerical Methods in Engineering 10 (1994), S. 359-360 
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    Keywords: Engineering ; Engineering General
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  • 151
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  • 152
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    Communications in Numerical Methods in Engineering 10 (1994), S. 361-371 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The dual reciprocity boundary element method, first proposed by Nardini and Brebbia (1982, 1985), is a powerful technique for solving elliptic partial differential equations. Adopting this approach, a singular volume integral, which needs to be evaluated with a traditional boundary element method, can be converted into a boundary integral. However, when the governing equation is of a certain type, this conversion fails due to the singularities being introduced inside the physical domain and on the boundary arising by differentiating distance functions. We avoid these artificially created singularities by constructing a transformation which leads to improved numerical results.
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  • 153
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    Communications in Numerical Methods in Engineering 10 (1994), S. 743-749 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This is a study about one of the core questions in the GMRES(k) method regarding the obtaining of vector yk for the least-squares problem, argminy |Hky - β(n)e1|2 (see Saad and Schultz1). We propose a simple but efficient approach to the resolution of this problem and a low cost computation of the residual and the residual norm, including both in a complete and detailed FGMRES(k) algorithm. The whole algorithm of minimization only involves two backward substitutions with triangular matrices and a dot product. The residual and the residual norm are computed, making use of results in the least-squares problem.
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  • 154
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    Communications in Numerical Methods in Engineering 10 (1994), S. 759-760 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 155
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    Communications in Numerical Methods in Engineering 10 (1994), S. 761-762 
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    Keywords: Engineering ; Engineering General
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  • 156
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    Keywords: Engineering ; Engineering General
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  • 157
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    Journal of High Resolution Chromatography 17 (1994), S. 15-19 
    ISSN: 0935-6304
    Keywords: HPLC ; Surfactants ; Sorbitan esters ; Span ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Sorbitan ester surfactants are very complicated mixtures. An improved and simple reversed phase high performance liquid chroma tographic (HPLC) method employing a C18 column has been developed for the rapid separation of sorbitan ester surfactants and the quantitative determination of the distribution of sorbitan mono-, di-, tri-, and tetraester fractions. The sorbitan ester distribution of the six Span and Arlacel surfactants studied was calculated using relative response factors obtained from analysis of pure glycerides of fatty acids. The effects of mobile phase composition on the accuracy and reliability of the distribution values calculated for the sorbitan esters were investigated.
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  • 158
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    Journal of High Resolution Chromatography 17 (1994), S. 22-24 
    ISSN: 0935-6304
    Keywords: High resolution gas chromatography, HRGC ; Sulfur chemiluminescence detection (SCD) ; Sulfur gases ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Three different types of SCD combustion source have been evaluated for use in the chromatographic analysis of atmospheric sulfur compounds. The conventional FID source and the newer inverted burner source were found to be less sensitive and less stable than the flameless design. Overall, the flameless source was superior for use with HRGC-SCD.
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  • 159
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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  • 160
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 161
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    Journal of High Resolution Chromatography 17 (1994), S. 53-55 
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 162
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    Journal of High Resolution Chromatography 17 (1994), S. 49-50 
    ISSN: 0935-6304
    Keywords: Supercritical fluid chromatography ; Automated injection ; Solvent venting ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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  • 163
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    Journal of High Resolution Chromatography 17 (1994) 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 164
    ISSN: 0935-6304
    Keywords: Supercritical fluid chromatography (SFC) ; Edible oils ; Traditional Chinese medicines ; Characterization ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A home-made supercritical fluid chromatograph fitted with a capillary micropacked column and equipped with FID detection has been used to separate the components of silicone DC-200, beeswax, tea oil, cod-liver oil, rancid butter, and several traditional Chinese medicines such as Honghua oil, Jiuxin oil, and Wanhua oil.
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  • 165
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    Journal of High Resolution Chromatography 17 (1994), S. 91-94 
    ISSN: 0935-6304
    Keywords: Capillary GC ; Thermal cold trapping (TCT) ; Volatile compounds ; Experimental design ; Optimization ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A central composite design has been used to improve the extraction performance of a dynamic headspace method; extraction yield was evaluated on a homogeneous sample of cheese powder. The volatile compounds were stripped from the sample with nitrogen and adsorbed on a Tenax trap, analysis being performed with a thermal cold trapping injector connected directly to a capillary GC. Three variables (sample temperature, extraction time, and nitrogen flow rate) were investigated, and a quadratic model with interactions was postulated. Twenty experiments was performed, each producing five responses. It was shown that the best conditions for the extraction procedure were those characterized by the highest values of the three variables investigated.
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  • 166
    ISSN: 0935-6304
    Keywords: Capillary SFC ; Solid phase extraction ; Quantitative analysis ; Salt-water ; Surfactants ; Span surfactants ; Sorbitan esters ; Hydrophilic-lipophilic balance (HLB) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A rapid, simple and quantitative approach to the separation and identification of sorbitan ester surfactants has been developed using capillary supercritical fluid chromatography (SFC). The sorbitan ester surfactants were well separated into five groups: starting materials and mono-, di-, tri-, and tetraesters, with each group consisting of a number of peaks representing different isomers. High purity glycerides of fatty acids were employed to estimate the relative response factors of sorbitan esters, and reliable group-wise integration served for quantitation of the distribution of sorbitan fatty acid esters. A very important parameter, hydrophilic-lipophilic balance (HLB), which describes the hydrophilic and hydrophobic characteristics of surfactants, could be correlated with the distribution of the sorbitan esters. A combination of solid-phase extraction (SPE) and SFC was used to separate, concentrate, and analyze Span-20 from salt-water samples. In comparison with the HPLC method, capillary SFC broadens the scope of the technique to encompass high molecular weight sorbitan polyesters while maintaining high separation efficiency.
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  • 167
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    Journal of High Resolution Chromatography 17 (1994), S. 99-101 
    ISSN: 0935-6304
    Keywords: Capillary zone electrophoresis (CZE) ; Chiral separation ; Separation of enantiomers ; Cyclodextrins ; β-Blockers ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 5 Ill.
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  • 168
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    Journal of High Resolution Chromatography 17 (1994), S. 116-118 
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 169
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    Journal of High Resolution Chromatography 17 (1994), S. 119-119 
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 170
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    Journal of High Resolution Chromatography 17 (1994), S. 20-21 
    ISSN: 0935-6304
    Keywords: Capillary GC ; GC-MS ; Gorse pyrolytic oil ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Thermochemical conversion of biomass produces solid charcoal, gaseous fuels, and condensable oils. Because these oils vary widely in composition depending on the cellulosic feedstock and the operating conditions used, analysis of the oils is necessary in order to determine the best ways of utilizing or disposing of them. The major components of the organic oil from pyrolysis of gorse have been characterized by capillary gas chromatography - mass spectrometry. A qualitative study of the aqueous oil from the same source has also been attempted.
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  • 171
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    Journal of High Resolution Chromatography 17 (1994), S. 25-30 
    ISSN: 0935-6304
    Keywords: GC ; Dynamic headspace analysis ; Capillary columns ; Flavor ; Volatile flavor compounds ; Dairy products ; Cheese ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The aim of this study was to test the suitability and performance of various stationary phases and column dimensions for dynamic headspace gas chromatography of food aromas. The trials were performed using an aqueous test mixture containing thirty seven volatile flavor components of intense aroma, and a sample of ripe Swiss Emmental cheese.The best performance with both samples was obtained with a capillary column coated with a thick film of polydimethylsiloxane. This column resolved the greatest number of compounds in the cheese sample and resulted in the overlapping of one pair of peaks only from the test mixture. Because of its other advantages, i. e. high capacity owing to its film thickness, and insensitivity to the high moisture content of some samples or traces of oxygen in the carrier gas, the polydimethylsiloxane column appears suitable for the analysis of the volatile and highly polar compounds present in complex mixtures such as food aroma.
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  • 172
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    Journal of High Resolution Chromatography 17 (1994), S. 31-36 
    ISSN: 0935-6304
    Keywords: Capillary GC ; Graphitized carbon black ; Carbon layer open tubular columns ; Column polarity ; Retention times prediction ; Programmed temperature GC ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The polarity of carbon layer open tubular (CLOT) columns coated with a layer of non-porous graphitized carbon black (Carbopack B) modified with an appropriate amount of polar polyglycol liquid phase has been evaluated and compared with that of standard polar (Supelcowax-10) and non-polar (SPB-1) bonded phase open tubular columns. The efficiency and selectivity were measured at various temperatures and the polarity of the columns was evaluated by use of McReynolds' constants and the difference in apparent carbon number, ΔC of linear alkanes and alcohols. The polarity of the CLOT column was found to depend on temperature, and changing the analytical conditions therefore enabled the separation of compounds of different polarity whose reciprocal position and resolution were affected by temperature. The application of calculation methods which enable programmed temperature retention times to be predicted from isothermal data was also found to be possible when the polarity of the CLOT column changes with temperature.
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  • 173
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    Journal of High Resolution Chromatography 17 (1994), S. 47-48 
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 174
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    Journal of High Resolution Chromatography 17 (1994), S. 48-48 
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
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  • 175
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    Journal of High Resolution Chromatography 17 (1994), S. 184-186 
    ISSN: 0935-6304
    Keywords: Chiral capillary GC ; Linalyl acetate ; Bergamot ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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  • 176
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    Journal of High Resolution Chromatography 17 (1994) 
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    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
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  • 177
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    Journal of High Resolution Chromatography 17 (1994), S. 197-202 
    ISSN: 0935-6304
    Keywords: GC and GC-MS ; HPLC ; SFC ; TLC ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Practically all the conventional chromatographic techniques are used in the characterization of the highly complex mixtures of organic compounds occurring in fuels, heavy fractions, and crude oils. This paper surveys the techniques employed for class determination, preparative fractionation of the main classes, and determination of subgroups after class fractionation.
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  • 178
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    Journal of High Resolution Chromatography 17 (1994), S. 217-222 
    ISSN: 0935-6304
    Keywords: Size exclusion chromatography ; Gas chromatography - atomic emission detection ; Sample pretreatment ; Metalloporphyrins ; Crude oil ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Size exclusion chromatography (SEC) has been demonstrated to be an effective and reproducible sample pretreatment procedure for removal of heavy oil matrices prior to GC-AED analysis of metalloporphyrins, and for the resolution of volatile metal species into clean and defined fractions. This paper also discusses the results obtained by SEC for determination of the distribution of metallopor-phyrins in crude oils and the correlation between total metal, metal-loporphyrin, and total distillable metal content.
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  • 179
    ISSN: 0935-6304
    Keywords: Nitrogen compounds ; Alkylcarbazoles ; Analytical TLC ; Oil migration ; Crude oils ; Petroleum source rocks ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The results are reported of a range of laboratory chromatographic fractionation experiments with synthetic model compounds and a petroleum pyrrolic nitrogen fraction. Reversed phase separation of pyrrolic nitrogen compounds was governed mainly by the number of carbon atoms in the molecule, with little selectivity toward different positional isomers, whereas normal phase separation of the compounds could be explained in terms of steric effects related to alkylation position. Comparison of experimental results from model compounds with observations made previously using sets of natural samples taken from sedimentary basins clearly suggests adsorptive interactions between organic and mineral phases are involved in the compositional fractionation of pyrrolic nitrogen compounds in petroleum during migration. Detailed studies of the effects of petroleum migration on the molecular distribution of petroleum pyrrolic nitrogen compounds may provide useful, quantifiable, migration-related geochemical parameters.
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  • 180
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    Journal of High Resolution Chromatography 17 (1994), S. 245-250 
    ISSN: 0935-6304
    Keywords: Fischer-Tropsch waters ; Alcohols in water ; Carboxylic acids in water ; Aldehydes in water ; Ketones in water ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper describes a quantitative technique for the determination of organic constituents in Fischer-Tropsch by-product waters. Temperature-programmed gas chromatography on derivatized bonded polar capillary columns provides the required separation that permits reliable quantitation of individual compounds. A preliminary combined gas chromatographic-mass spectrometric survey to identify the components present in Fischer-Tropsch by-product waters is presented. The elution order of 58 identified components is tabulated. Components identified in a typical Fischer-Tropsch by-product water include C1-C9 linear and branched alcohols, C3—C8 ketones, C2—C6 carboxylic acids, and C2—C4 linear aldehydes.
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  • 181
    ISSN: 0935-6304
    Keywords: High temperature capillary GC ; SPI injector ; Cold on-column injector ; Paraffin deposition ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: HTHRGC was found essential for optimizing representative preparation of high molecular weight samples and enabling fingerprinting of heavy fractions of crude oils and associated paraffinic deposits in production pipelines. Laboratory experiments aimed at simulating the process of paraffin deposition could also be easily evaluated. A comparative investigation of the performance of cold on-column and SPI (PTV type) injectors, in conjunction with high temperature capillary columns, for analysis of high molecular weight fractions, was also conducted during the course of this work.
    Additional Material: 6 Ill.
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  • 182
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    Journal of High Resolution Chromatography 17 (1994), S. 271-276 
    ISSN: 0935-6304
    Keywords: High boiling petroleum fractions ; Polar petroleum compounds ; Compound class separation ; Normal phase HPLC ; On-line LC-MS ; Low voltage electron-impact ionization ; High resolution mass spectrometry ; Deuterated ammonia chemical ionization ; ‘Neutral’ and ‘basic’ nitrogen fractions ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Chromatography on Attapulgus clay and on silicic acid has been used to isolate ‘neutral’ and ‘basic’ nitrogen fractions from the 650-1050 °F distillate of an off-shore Californian crude oil. These polar compounds were subjected to on-line liquid chromatography - mass spectrometric (LC-MS) analysis using low voltage electron-impact ionization high resolution mass spectrometry (LVEI HRMS) and deuterated ammonia chemical ionization (ND3 Cl) to determine the molecules' elemental composition and number of exchangeable hydrogen atoms. On-line separation of heavy oils into saturated, 1-4 ring aromatic, and polar compounds was performed by normal phase high performance liquid chromatography (HPLC) on a dinitroanilinopropyl (DNAP) silica column.
    Additional Material: 10 Ill.
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  • 183
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    Journal of High Resolution Chromatography 17 (1994), S. 212-216 
    ISSN: 0935-6304
    Keywords: SFE ; SFC ; Hydrocarbon group separation ; Polynuclear aromatic hydrocarbons ; Total petroleum hydrocarbons ; Simulated distillation ; Polymer additives ; Sulfur chemiluminescence detection ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The use of supercritical fluid technology for sample preparation and analysis in the petroleum industry will be described using various examples including: separation of petroleum fuels into hydrocarbon classes, determination of polynuclear aromatic hydrocarbon in soils and petroleum fuels, characterization of fuel-contaminated soil, assessment of fuel boiling point distribution, determination of polymer additives, and characterization of shale rock and drilling mud.
    Additional Material: 5 Ill.
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  • 184
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    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 17 (1994), S. 223-229 
    ISSN: 0935-6304
    Keywords: Atomic emission detection ; High temperature GC ; GC-AED ; Microwave-induced plasma ; Metalloporphyrins ; Selective detection of metals ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: High temperature gas chromatography-atomic emission spectroscopy is used for the detection of vanadyl, nickel, and iron porphyrins in crude oils. The operational variables are investigated with regard to the effects on performance in high temperature GC-AED. Under optimal conditions, the method provides charactersitic metal distributions for oils from different sources. The method is also advantageous in the study of decomposition of petroleum metal species. Several crude oils were analyzed for the content of the distillable metals in comparison with total metals as determined by a direct spectroscopic method.
    Additional Material: 10 Ill.
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  • 185
    ISSN: 0935-6304
    Keywords: Enantioselective GC ; Sesquiterpene hydrocarbons ; Cyclodextrin derivatives ; Essential oils ; Liverworts ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A number of sesquiterpene hydrocarbons commonly occurring in essential oils has been prepared as racemic mixtures by chemical synthesis. Preparative gas chromatography with selectively per-O-alkylated cyclodextrins has been employed for the isolation of enantiomeric mixtures or pure enantiomers from the essential oils of higher plants and liverworts (Hepaticae). The enantiomers of α-curcumene, α- and β-bisabolene, β-elemene, δ-elemene, α-copaene, δ-cadinene, cis- and trans-calamenene, and bicyclogermacrene could be resolved by enantioselective gas chromatography on capillary columns coated with cyclodextrin derivatives. The enantiomeric composition of these sesquiterpene hydrocarbons in various essential oils was determined.
    Additional Material: 7 Ill.
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  • 186
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    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 17 (1994), S. 335-338 
    ISSN: 0935-6304
    Keywords: Capillary GC ; Specific detectors ; ECD:NPD response ratio ; ECD:FPD response ratio ; Retention indices ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The ratio of the responses of two different specific detectors to a single compound has, when used in conjunction with the compound's retention index, been investigated as an identification criterion for the compound. The ECD:NPD and ECD:FPD response ratios have been used for the identification of some pesticides. Analyses were performed with a single column - dual parallel detection - personal computer system.The reliability of the detector response ratio (DRR) was demonstrated by the consistency of detector response with time, and the influence of the quantity of analyte and of the chromatographic operating conditions. These factors were selected in the expectation that the technique could be used for routine trace analysis.
    Additional Material: 2 Ill.
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  • 187
    ISSN: 0935-6304
    Keywords: Multidimensional enantioselective GC ; Stable atropisomeric polychlorinated biphenyls (PCBs) ; Chirasil-Dex ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 5 Ill.
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  • 188
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    Journal of High Resolution Chromatography 17 (1994), S. 354-354 
    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
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  • 189
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    Journal of High Resolution Chromatography 17 (1994), S. 369-369 
    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
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  • 190
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    Journal of High Resolution Chromatography 17 (1994), S. 407-410 
    ISSN: 0935-6304
    Keywords: High resolution capillary GC (HRGC) ; Coupled GC-GC-MS ; Hydrocarbon distillate ; Alkylbenzenes ; Alkenylbenzenes ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper describes the use of multidimensional capillary gas chromatography for analysis of individual components in a C9—C10 aromatic hydrocarbon pyrolysis distillate containing substantial amounts of aromatic olefins. By coupling this GC-GC system on-line to a mass spectrometer difficulties in identifying overlapping compounds were overcome. No coelution of different types of compound was observed, but a few isomeric compounds such as methylstyrenes were poorly separated.
    Additional Material: 1 Ill.
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  • 191
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    Journal of High Resolution Chromatography 17 (1994), S. 411-414 
    ISSN: 0935-6304
    Keywords: Size exclusion chromatography ; Gas chromatography ; Coupled LC-GC ; Cleanup and analysis ; Automation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A fully automated on-line sample cleanup system based on the coupling of size exclusion chromatography to high resolution gas chromatography is described. The transfer technique employed is based on fully concurrent solvent evaporation using a loop-type interface, early vapor exit and co-solvent trapping. Optimization of the LC-GC transfer was done visually via an all-glass oven door. To circumvent the problem of mixing within the injection loop, an adaptation was made to the standard loop-type interface. The determination of a series of additives in a polymer matrix is presented as one example of the vast range of applications opened up by this technique.
    Additional Material: 6 Ill.
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  • 192
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    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 17 (1994), S. 325-334 
    ISSN: 0935-6304
    Keywords: Capillary electrophoresis ; Repeatability of electroosmotic flow ; Silica capillary tubes ; Column pretreatment ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The influence of a number of factors, such as the nature of the buffer, the presence of additives therein, the manufacturing conditions, and the pretreatment of the capillary, on the magnitude and repeatability of the electroosmotic flow (EOF) in silica capillary tubes has been investigated. It was established that the nature of the buffer plays the most significant role in respect of the stability and magnitude of EOF, whereas the conditions used for manufacture and pretreatment of the tubing are less important. The EOF obtained using buffers consisting of tris(hydroxymethyl)aminomethane and ethylenediamine was more repeatable than that obtained using pure phosphate buffers. Buffer additives such as sodium dodecylsulfate, 1-butanol, sodium salts of 1-pentanesulfonic acid and 1-heptanesulfonic acid, altered the magnitude of the EOF only, not its repeatability.
    Additional Material: 8 Ill.
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  • 193
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    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 17 (1994), S. 343-346 
    ISSN: 0935-6304
    Keywords: High performance thin layer chromatography ; Platinum metal 8-hydroxyquinolinates ; Polar stationary phases ; Retention, effect of mobile phase ; Sample preparation ; Optimization ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: High performance thin layer chromatography has been used to separate all the platinum metal 8-hydroxyquinolinates on polar stationary phases. The dependence of Rf values on the composition of mobile phases prepared from chloroform - tetrahydrofuran or chloroform - alcohol mixtures has been investigated. Retention was found to be partially dependent on alcohol chain length in chloroform - alcohol systems. The results obtained from TLC are dependent on the method of sample preparation used for the analyte.
    Additional Material: 7 Ill.
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  • 194
    ISSN: 0935-6304
    Keywords: Capillary gas chromatography ; Atomic emission detector ; Organotin compounds ; Organolead compounds ; Organomercury compounds ; Grignard derivatization ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: As part of a continuing evaluation of new analytical and sample preparation techniques conducted by the US Environmental Protection Agency (EPA), the use of capillary gas chromatography with atomic emission detection (GC-AED) for the simultaneous determination of organotin, organolead, and organomercury compounds in environmental samples was investigated. Pentylmagnesium bromide was used to pentylate ionic organotin, organolead, and organomercury compounds; the pentyl derivatives were then separated by GC and determined by AED. Several important GC-AED parameters, including the type of injector inlet, carrier gas flow rate, and helium make-up gas flow rate, were optimized for the simultaneous determination of these organometallic compounds. Their minimum detectable concentrations were approximately 1.0 to 2.5 ng/mL using a 0.5-μL on-column injection. The calibration curves exhibited good linearity between 2.5 and 2500 ng/mL for organotin and organolead compounds, and between 2.5 and 10000 ng/mL for organomercury compounds.
    Additional Material: 5 Ill.
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  • 195
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    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 17 (1994), S. 549-552 
    ISSN: 0935-6304
    Keywords: GC/MS ; Crude oils ; Monoaromatic steroids ; Triaromatic steroids ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Series of C-ring monoaromatic steroid hydrocarbons (C21, C22, C27 — C29) and triaromatic steroid hydrocarbons (C20, C21, C26 — C28) have been recognized in the aromatic hydrocarbon fraction of Alamein crude oil from the western desert, Egypt. Detection of these compounds were based on mass fragmentography of the key ions m/z 253 and m/z 231 and comparison of the mass spectra and relative retention times with literature data. The predominance of the C29 monoaromatic steroids and C28 triaromatic steroids provide further evidence for a land plant origin of Alamein oil. The results substantiate previous evidence of the occurrence of an aromatization process with increasing maturation and indicate a moderate maturity level for Alamein oil.
    Additional Material: 5 Ill.
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  • 196
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    Journal of High Resolution Chromatography 17 (1994), S. 556-556 
    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
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  • 197
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    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 17 (1994), S. 559-560 
    ISSN: 0935-6304
    Keywords: Capillary electrophoresis ; Scutellariae Radix ; Flavonoids determination ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Ill.
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  • 198
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    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 17 (1994), S. 567-568 
    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
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  • 199
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    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 17 (1994) 
    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
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  • 200
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    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 17 (1994), S. 593-596 
    ISSN: 0935-6304
    Keywords: High Temperature Gas Chromatography (HTGC) ; Bis(trimethylsilyl)trifluoroacetamide ; Ethoxylated alcohols ; Ethoxylated alcohol sulfates ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Conversion of ethoxylated alcohols to trimethylsilyl derivatives and subsequent high temperature gas chromatography allowed for the determination of alkyl chain distribution, mole average degree of ethoxylation and weight percent distribution of several commercial mixtures. Repetitive derivatizations and analyses of a mixture with a vendor specified mole average degree of ethoxylation of 3.0 (Neodol 23-3), yielded an experimental result of 2.93 ± 0.05 (n = 6). Mixtures with different alkyl chain distributions and higher degrees of ethoxylation provided similar accuracy. Extension of the method to the analysis of ethoxylated alcohol sulfate raw materials and ethoxylated alcohol sulfates in dishwashing liquids is discussed.
    Additional Material: 6 Ill.
    Type of Medium: Electronic Resource
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