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  • 1995-1999  (2,804)
  • 1995  (2,804)
  • Analytical Chemistry and Spectroscopy  (1,554)
  • Engineering General  (737)
  • Computational Chemistry and Molecular Modeling  (513)
  • Industrial Chemistry
Material
Years
  • 1995-1999  (2,804)
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Keywords
  • 101
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 31-58 
    ISSN: 0886-9383
    Keywords: Multivariate curve resolution ; Three-way data analysis ; Factor analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new multivariate curve resolution method is presented and tested with data of various levels of complexity. Rotational and intensity ambiguities and the effect of selectivity on resolution are the focus. Analysis of simulated data provides the general guidelines concerning the conditions for uniqueness of a solution for a given problem. Multivariate curve resolution is extended to the analysis of three-way data matrices. The particular case of three-way data where only one of the orders is common between slices is studied in some detail.
    Additional Material: 15 Ill.
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  • 102
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 179-195 
    ISSN: 0886-9383
    Keywords: GRAM ; PARAFAC ; rank overlap ; second-order calibration ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: GRAM, a method for second-order calibration, has been introduced by Sanchez and Kowalski and later modified by Wilson, Sanchez and Kowalski. The methods are based on the claim that, in cases without measurement error they yield correct estimates for the concentration ratios and profiles of (rank-one) analytes present in sample and mixture. This claim has not been proven rigorously. In the present paper, rigorous proofs are given for situations where the claims are valid indeed. In addition, it is shown that PARAFAC, an alternative method for second-order calibration, can be used to obtain the same results. Next it is shown that the claims do not hold in cases with ‘rank overlap’ (partly overlapping profiles) and it is proven that a procedure by Wang et al. can still be used to assess some of the concentration ratios. A general framework is provided for a variety of second-order calibration problems and the extent to which quantitative and qualitative information can be expected is given.
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  • 103
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 223-225 
    ISSN: 0886-9383
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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  • 104
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 232-236 
    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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  • 105
    ISSN: 0886-9383
    Keywords: multiway data ; standard addition method ; calibration ; matrix effects ; trilinear decomposition ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Presented here is an algorithm for analysis of second order data by the method of standard additions. The method of standard additions is applicable when matrix effects make traditional calibration unreliable. The algorithm employs a generalized eigenproblem to mathematically separate the instrument response of the analyte from the instrument response of any interfering species. A scheme for determining the eigenvectors (and hence the concentration estimate) that uniquely correspond to the analyte of interest is given. These eigenvectors can readily be distinguished from any eigenvector that corresponds to the spectrum of the interferents or both the interferents and analyte. The stability of the estimated analyte concentration is verified by Monte Carlo simulations. The algorithm is applied to the analysis of trichloroethylene in samples that have matrix effects caused by an interaction with chloroform.
    Additional Material: 12 Ill.
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  • 106
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 327-328 
    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 9 (1995), S. 343-362 
    ISSN: 0886-9383
    Keywords: straight line calibration ; errors in both axes ; uncertainties ; linear regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Calibration is a fundamental step in the calculation of the unknown concentration of analyte in most analytical methods. It is known that for certain methodologies, if only the errors in the independent variable are taken into account, there may be considerable errors in the estimation of the value of the regression coefficients, the derived statistical parameters and in some cases the sought for response and concentration values. This paper reviews the calibration methods including some references to procedures for the detection of outliers and robust regression when there are errors in both axes. The advantages and limitations of the different approaches are discussed and a comparative study is made of the approaches of several techniques for which computer programmes have been developed based on the algorithms put forward by the different authors. Finally, some trends of future development in this field are envisaged.
    Additional Material: 2 Ill.
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  • 108
    Electronic Resource
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 411-422 
    ISSN: 0886-9383
    Keywords: gasoline ; classification ; multiple regression ; non-correlated variables ; accuracy of measurements ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A procedure for the classification of motor gasolines by their trend to carburettor icing has been proposed. For this goal a set of regression models was employed. Motor gasoline classification was carried out in terms of the isopropyl equivalent using seven physicochemical properties.
    Additional Material: 4 Ill.
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  • 109
    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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  • 110
    ISSN: 0886-9383
    Keywords: sequential response surface modelling ; Williamson ether synthesis ; SN2 ; optimization ; reaction kinetics ; reaction mechanism ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this work the utility of a new method for determining kinetic parameters by sequential response surface modelling, previously described (Part 1), is shown by applying it to an experimental study of a reaction with known kinetics. The nucleophilic substitution reaction between ethoxide and benzyl chloride, the Williamson ether synthesis, was selected as a model reaction. This reaction is known to proceed with second-order kinetics. The method gives access to estimates of initial reaction rate which can be further used to obtain estimates of activation energy and reaction order of reactants. The results obtained are in good agreement with the estimated values of these parameters obtained with conventional kinetic experiments.
    Additional Material: 2 Ill.
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  • 111
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 483-487 
    ISSN: 0886-9383
    Keywords: fractional factorial design ; multiresponse ; PLS ; PCA ; reduced-rank regression ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: This paper presents an interpretation of PLS applied to orthogonal explanatory variables. In particular, it is shown that in fractional factorial multiresponse experiments PLS2 gives identical results to ordinary least squares applied to principal components of the response variables. The general relationship is that the reduced-rank regression algorithm which first projects Y onto the X-space and then truncates this matrix by principal component analysis before performing ordinary least squares estimation gives the same predictor as PLS2 and SIMPLS if all the non-zero eigenvalues of XTX are identical.
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  • 112
    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
    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
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 531-531 
    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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  • 115
    Electronic Resource
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995) 
    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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  • 116
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995) 
    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
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 283-308 
    ISSN: 0886-9383
    Keywords: simulated annealing ; threshold acceptance ; wavelength selection ; selectivity ; optimization ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Simulated annealing (SA) is a stochastic search method that has been applied to combinatorial search problems in chemometrics. Unlike strict iterative improvement methods, SA tolerates temporary moves to detrimental parameter configurations during an optimization. The method used by SA to decide whether or not to accept detrimental steps is a special case of a more general acceptance rule. The present work investigates the performance of various SA-type algorithms that differ only in the acceptance rule for detrimental steps when optimizing continuous or discrete problems. A method for step width modulation is introduced to overcome the poor ability of SA type algorithms to locate the exact extreme of a function. The studied search strategies are modified for the discrete problem of wavelength selection. In order to evaluate SA-type algorithms and their abilities to deal with the wavelength selection problem, two global measures of selectivity are used as criteria to determine the most suitable wavelength subset that maximizes selectivity for pure component ultraviolet-visible spectra.
    Additional Material: 7 Ill.
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  • 118
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    Journal of Chemometrics 9 (1995), S. 329-330 
    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
    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 9 (1995), S. 451-457 
    ISSN: 0886-9383
    Keywords: non-linear regression ; optimization ; robust methods ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Several robust regression methods, including a new proposal, are described and their properties discussed. Resistance to various types of outliers and non-normality is demonstrated. The techniques are applied to non-linear regression models from chemical kinetics and calibration. Optimization of the types of objective functions encountered when applying robust regression is considered.
    Additional Material: 5 Ill.
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  • 121
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    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 9 (1995), S. 471-481 
    ISSN: 0886-9383
    Keywords: batch prediction ; continuum regression ; multivariate calibration ; sequential prediction ; simultaneous prediction ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In analytical chemistry a single fitted calibration model is used repeatedly to predict the level of the analyte of interest for the specimens comprising the prediction set. Unlike the calibration (or training) set, which is often limited in size, the prediction set can be very large.In the case of multivariate calibration a number of methods such as PLS and PCR are commonly used to construct the calibration model. The set of instrumental measurements and the reference analyte level are available for each specimen in the calibration set. For specimens in the prediction set, only the instrumental measurements are available, since the problem is to predict the analyte level for these specimens. It is not widely recognized that predictions of the analyte levels for individual specimens can be improved by utilizing seemingly unrelated information from the instrumental measurements associated with the other members of the prediction set. In the case of PCR there exists a very straightforward procedure for doing this. A description of the various sources of prediction errors is provided to explain the ability of PCR to utilize this additional information. The use of PCR in this context is illustrated with both a synthetic and a real example.
    Additional Material: 1 Ill.
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  • 122
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    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 11 (1995), S. 13-23 
    ISSN: 1069-8299
    Keywords: mass transport problems ; error estimation ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In order to make an exact estimation of discretization error for finite/infinite element methods, it is necessary to develop analytical solutions for some transient mass transport problems in infinite media. These transient mass transport problems may be viewed as the benchmark problems for the discretization error estimation of a new numerical method so that they generally have the following characteristics: (1) their initial and boundary conditions can be exactly modelled by the finite/infinite element method; (2) their solutions can be rigorously expressed in a closed form. In this paper, several of the aforementioned problems have been constructed and solved mathematically for transient mass transport problems in both 1D and 2D infinite media.
    Additional Material: 7 Ill.
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  • 123
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    Chichester : Wiley-Blackwell
    Communications in Numerical Methods in Engineering 11 (1995), S. 25-32 
    ISSN: 1069-8299
    Keywords: Riccati equation ; transmission line modelling ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In this communication, the application of the transmission line modelling (TLM) technique to the solution of the differential Riccati equation is described. A comparison is made between the TLM, fourth-order Runge-Kutta and the first-order Gear methods, for the case where one is applying the Kalman filter to the estimation of a voltage in a passive analogue circuit. In the particular example studied, the state equation is second-order. It is found that, when the system is underdamped, the fourth-order Runge-Kutta method has the best performance, followed by the TLM method. When the system is overdamped and stiff, the TLM method yields results that are closest to the analytical solution. Finally, a discussion is presented of the effects of errors in the TLM solution of the Riccati equation on the accuracy of the solution to the continuous Kalman filter estimation equation.
    Additional Material: 4 Ill.
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  • 124
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    Communications in Numerical Methods in Engineering 11 (1995), S. 49-58 
    ISSN: 1069-8299
    Keywords: gears ; fracture mechanics ; service life ; fatigue process ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper describes the influence of contact area on the service life of dynamically loaded gears with a crack in a tooth root. Numerical results obtained with the finite element method using the program package BERSAFE are compared with the experimental results obtained on the universal testing machine INSTRON 1255. Numerical and experimental results are in good agreement. The analysis shows that the contact area directly influences the speed and direction of the crack propagation and the service life of the gear with a crack in a tooth root.
    Additional Material: 11 Ill.
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  • 125
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    Communications in Numerical Methods in Engineering 11 (1995), S. 41-47 
    ISSN: 1069-8299
    Keywords: shear correction ; laminates ; cylindrical bending hypothesis ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Mindlin-type plate and shell finite elements are the most widely used ones in the analysis of laminated composite structures. In the commercially available finite element programs, the transverse shear correction factors for these elements are usually the same as for structures made of isotropic materials. In the paper the shear correction factors are determined using energy principles for general laminates in cylindrical bending. Results for various materials and laminates are presented.
    Additional Material: 5 Ill.
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  • 126
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    Communications in Numerical Methods in Engineering 11 (1995), S. 59-68 
    ISSN: 1069-8299
    Keywords: RLW equation ; finite elements ; splines ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A B-spline finite element method is used to solve the regularized long wave equation numerically. This approach involves a Galerkin method with quadratic B-spline finite elements so that there is continuity of the dependent variable and its first derivative throughout the solution range. Time integration of the resulting system of ordinary differential equations is effected using a Crank-Nicolson approximation. Standard problems are used to validate the algorithm, which is then used to model the smooth development of an undular bore.
    Additional Material: 5 Ill.
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  • 127
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    Communications in Numerical Methods in Engineering 11 (1995), S. 69-72 
    ISSN: 1069-8299
    Keywords: finite element method ; thermoplasticity ; internal dissipation ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In the paper, a simple modification of the internal dissipation term in coupled thermoplastic finite element equations is presented. A modified form of the heat capacity and the thermomechanical coupling matrices are derived. These modifications are based on a decomposition of the internal dissipation term into two parts, which depend on the total strain rate and the rate of temperature change, respectively.
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  • 128
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    Communications in Numerical Methods in Engineering 11 (1995), S. 91-92 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 129
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    Communications in Numerical Methods in Engineering 11 (1995), S. 93-94 
    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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    Communications in Numerical Methods in Engineering 11 (1995), S. 179-185 
    ISSN: 1069-8299
    Keywords: finite elements ; fluid flow ; open boundaries ; Sommerfield boundary conditions ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: We examine a method to impose boundary conditions on arbitrary boundaries, introduced to make domains of infinite extent finite for the purpose of numerical calculations, when a finite element discretization based on linear, bilinear or trilinear elements is used, in one, two or three dimensions, respectively. In particular, we look at the so-called ‘free’ boundary condition, which consists in retaining the boundary integrals generated by the weighted-residuals formulation along the open boundaries and adding them to the stiffness matrix. We show that this procedure is exactly equivalent to imposing on the boundary nodes a Sommerfeld radiation condition in one dimension, and a slightly modified form of the Sommerfeld boundary condition in two and three dimensions. We also show that the procedure is not applicable to the purely elliptic case.
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  • 131
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    Communications in Numerical Methods in Engineering 11 (1995), S. 189-190 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 132
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    Communications in Numerical Methods in Engineering 11 (1995), S. 187-188 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 133
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    Communications in Numerical Methods in Engineering 11 (1995) 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
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  • 134
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    Communications in Numerical Methods in Engineering 11 (1995), S. 191-198 
    ISSN: 1069-8299
    Keywords: triangulations ; mesh relaxation ; computational geometry ; planar mesh generation ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Recent advances in planar mesh generation of arbitrary domains incorporate methods for placing points as well as connecting them into a triangulation. Postprocessing techniques such as Laplacian smoothing and mesh relaxation enhance the shape of triangles in these meshes but do not address the construction of meshes near boundaries or provide a criterion to determine the number of interior points of the initial triangulation. The paper addresses these issues by investigating the construction of degree-6 triangulations, the primary goal of the mesh relaxation method.
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  • 135
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    Communications in Numerical Methods in Engineering 11 (1995), S. 227-233 
    ISSN: 1069-8299
    Keywords: finite element analysis ; distributed computing ; structures ; client-server model ; remote procedure calls ; structural mechanics ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper presents a distributed computing approach for concurrent finite element analysis of truss structures. The client-server model of distributed computation is applied to the plane frame finite element algorithm and implemented on SUN workstations. The remote procedure call combined with the ability to create threads of computation allows one to efficiently implement distributed and concurrent programs. The present approach is demonstrated through a typical truss structure to illustrate the details of the implementation. This approach can be used for very large finite element systems.
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  • 136
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    Communications in Numerical Methods in Engineering 11 (1995), S. 199-211 
    ISSN: 1069-8299
    Keywords: SUPG ; Petrov-Galerkin methods ; finite elements ; explicit scheme ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: This work is devoted to the simulation by finite elements of nearly incompressible inviscid flows in real 3D geometries, by means of an Euler code based on the SUPG (streamline upwind Petrov-Galerkin) method, explicit forward Euler pseudo-temporal time integration and periodic and absorbing boundary conditions, among other features. The main goal is the application to flow around turbomachinery, with special emphasis on the performance analysis of a given machine, that involves several numerical computations at different operation points. Finally, these results are summarized in the form of characteristic curves.
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  • 137
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    Communications in Numerical Methods in Engineering 11 (1995), S. 213-226 
    ISSN: 1069-8299
    Keywords: a posteriori error estimates ; asymptotic exactness ; finite elements ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A posteriori error estimation for typical Euler-Bernoulli beam bending problems is developed using a recovery operator based on a smoothing technique that is applied in the context of one-dimensional fourth-order problems. The development exploits a discrete superconvergence property of the ‘bending moments’ of the trial space interpolant of a polynomial solution of sufficiently low degree at certain Gauss points, and the superconvegence property of the energy norm difference of the trial space interpolant (of the weak solution) and the finite element approximation. An asymptotically exact error estimator is developed.
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  • 138
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    Communications in Numerical Methods in Engineering 11 (1995), S. 243-254 
    ISSN: 1069-8299
    Keywords: fracture ; boundary elements ; superposition ; stress intensity factor ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: We discuss a two-step superposition method for calculating linear elastic stress intensity factors. The procedure requires the solution to the full cracked problem and the solution to a problem on the same mesh assuming the singularity due to a crack tip in an infinite region. We show that this is equivalent to the well known subtraction of singularity method if the two solutions are characterized by crack tip stress. The advantages of our procedure are that no modifications need to be made to a standard computer program and that once one singular solution is available on a given cracked mesh, solutions with different boundary conditions on the same mesh may be obtained in one step without including any singular crack effects. The mesh required to represent the singular crack tip field may also be studied independently of the complete problem. The additional computational cost of a two-step procedure is minimal since the solution matrix from step one may be reused with a new right-hand side. Numerical experiments using the boundary element method demonstrate the high accuracy and simplicity of the superposition approach.
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  • 139
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    Communications in Numerical Methods in Engineering 11 (1995), S. 235-242 
    ISSN: 1069-8299
    Keywords: upwinding ; iterative methods ; convection-diffusion ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The effect of upwinding on iterative performance of convection-diffusion problems is investigated. An analysis of the iterative method considered here leads to a criterion for selecting the optimal upwinding parameter to improve iterative performance for a class of two-dimensional convection-diffusion problems. Supporting numerical experiments are presented.
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  • 140
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    Communications in Numerical Methods in Engineering 11 (1995), S. 267-279 
    ISSN: 1069-8299
    Keywords: dynamic interaction ; rigid wheel ; flexible beam ; contact force ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: A numerical method is presented for the analysis of dynamic interaction between rigid wheel and flexible beam. In contrast to traditional approaches, the wheel nominal motion as well as the contact force are considered here as unknowns. The correct contact force between the wheel and the beam is computed by iteratively reducing the constraint error towards zero, and a simple time integration is employed for the solution of equations of motion. Convergence of the iterative scheme is analysed, and numerical simulations are conducted to demonstrate the accuracy of the solution.
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  • 141
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    Communications in Numerical Methods in Engineering 11 (1995), S. 255-265 
    ISSN: 1069-8299
    Keywords: boundary element method ; error estimation ; hp-version ; Galerkin BEM ; numerical results ; elasticity ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper investigates the convergence of the h-, p- and hp-versions of a variational symmetric boundary element method (BEM) in plane elasticity by numerical experiments. The study discusses mixed boundary value problems on polygonal domains, i.e. problems for which the exact solution is analytic except in a finite number of points. The convergence of the error in energy norm is displayed for all versions of the BEM. All results are also compared with those obtained by the corresponding finite element methods. The theoretically predicted asymptotic convergence rates for all versions of the method can be observed in the numerical experiments. A comparison of computer times is given as well.
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  • 142
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    Communications in Numerical Methods in Engineering 11 (1995), S. 281-282 
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    Keywords: Engineering ; Engineering General
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  • 143
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    Communications in Numerical Methods in Engineering 11 (1995), S. 283-284 
    ISSN: 1069-8299
    Keywords: Engineering ; Engineering General
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  • 144
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    Communications in Numerical Methods in Engineering 11 (1995), S. 285-286 
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    Keywords: Engineering ; Engineering General
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  • 145
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    Communications in Numerical Methods in Engineering 11 (1995) 
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    Keywords: Engineering ; Engineering General
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  • 146
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    Communications in Numerical Methods in Engineering 11 (1995), S. 287-296 
    ISSN: 1069-8299
    Keywords: eigenvalues ; integral transforms ; analytical methods ; convection ; Sturm-Liouville system ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The integral transform method is employed in the analytical solution of the non-classical eigenvalue problem that appears in connection with the analysis of forced convection in ducts, including the effect of fluid heat diffusion in the axial direction. The related eigenfunctions are expanded in terms of eigenfunctions from a simpler auxiliary eigenvalue problem, and the original eigenvalues are determined from the associated matrix eigensystem analysis. Convergence rates of the proposed solutions are illustrated and reference results established for different values of the governing parameters.
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  • 147
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    Communications in Numerical Methods in Engineering 11 (1995), S. 355-362 
    ISSN: 1069-8299
    Keywords: permanent heavy waves ; circular shaped channels ; conformal mapping ; Fatou's method ; Levi-Civita's decomposition ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Because of the earth's curvature, all existing channels have a curvature. E. Zeidler gave an existence and uniqueness proof for permanent heavy and capillar-heavy waves in such circular shaped channels. Based on this proof and on a general computational method for constructing the solutions numerically, the case of permanent heavy waves in circular-shaped channels is considered in this work.
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  • 148
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    Communications in Numerical Methods in Engineering 11 (1995), S. 373-374 
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    Keywords: Engineering ; Engineering General
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  • 149
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    Communications in Numerical Methods in Engineering 11 (1995), S. 375-377 
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    Keywords: Engineering ; Engineering General
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  • 150
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  • 151
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    Communications in Numerical Methods in Engineering 11 (1995), S. 379-381 
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    Keywords: Engineering ; Engineering General
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  • 152
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    Communications in Numerical Methods in Engineering 11 (1995), S. 363-371 
    ISSN: 1069-8299
    Keywords: matrix multisplitting ; relaxed method ; convergence ; divergence ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In this paper, I discuss the convergence and divergence rates for a class of generalized matrix multisplitting relaxation methods in a detailed manner. In particular, when the coefficient matrix is an L-matrix, I obtain several sufficient and necessary conditions ensuring the convergence of these methods.
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  • 153
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    Communications in Numerical Methods in Engineering 11 (1995), S. 383-390 
    ISSN: 1069-8299
    Keywords: finite elements analyses ; global and local analyses ; multiregion ; interfaces ; interpolation functions ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: An independent refinement and integration procedure is developed to couple together independently modelled (global and local) regions in a single analysis. The finite element models can have different levels of refinement and the nodes along the interface between them need not coincide with one another. A spline interpolation function that satisfies the linear isotropic plate-bending differential equation is used to relate the local model interface nodal displacements to the global model interface displacements. The proposed independent refinement and integration procedure is validated by applying it to problems involving in-plane and out-of-plane deformations.
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  • 154
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    Communications in Numerical Methods in Engineering 11 (1995), S. 391-401 
    ISSN: 1069-8299
    Keywords: boundary element method ; two-dimensional potential problems ; logarithmic kernel ; derivative kernal ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Both the logarithmic and derivative kernel integrations for potential problems, solved with quadratic isoparametric boundary elements, contain quartic functions of the integration parameter. It is shown that such functions can be written as the product of two quadratic functions with real coefficients. The derivative kernel integration is then represented as the sum of two integrals, which can be evaluated analytically. The logarithmic kernel integration can be similarly split but needs a Taylor series expansion of the Jacobian of the integration to enable analytical integration. The use of this Taylor series expansion means that the method presented is limited to problems involving weakly curved elements.
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  • 155
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    Communications in Numerical Methods in Engineering 11 (1995), S. 403-407 
    ISSN: 1069-8299
    Keywords: finite element method ; residual bending flexibility ; convergence ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: In this paper I re-examine the mechanics of the residual bending flexibility correction and show that it is an extravariational trick.
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  • 156
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    Communications in Numerical Methods in Engineering 11 (1995), S. 417-426 
    ISSN: 1069-8299
    Keywords: discrete elements ; dynamic analysis ; impact ; impulsive loads ; elastoplastic response ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The determination of the dynamic response of plate and shell structures is carried out employing a discrete representation of the continuum, associated with an explicit integration scheme in the time domain. Comparisons with experimental results certify the accuracy and reliability of the proposed method.
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  • 157
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    Keywords: Engineering ; Engineering General
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  • 158
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    Communications in Numerical Methods in Engineering 11 (1995), S. 547-548 
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    Keywords: Engineering ; Engineering General
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  • 159
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    Communications in Numerical Methods in Engineering 11 (1995), S. 563-573 
    ISSN: 1069-8299
    Keywords: constraints ; boundary conditions ; rigid inclusions ; inextensibility ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Constraints arise naturally in the context of rigid inclusions, incompressibility, inextensible fibres and deformed finite elements. Typical methods for handling constraints in the governing matrix equation include Lagrange multipliers, penalty weights and elimination of variables. Each procedure has a particular undesirable feature. Proposed here is an approach in which each constraint is handled directly and sequentially through a modification of the rows and columns of the governing matrix and force vector. Positive definiteness, symmetry and the dimensions of the matrix remain unchanged. Elementary examples involving both the static and dynamic response of a bar are given to illustrate the procedure.
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  • 160
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    Communications in Numerical Methods in Engineering 11 (1995), S. 549-562 
    ISSN: 1069-8299
    Keywords: plate problem ; Reissner-Mindlin ; finite elements ; hierarchic elements ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The focus of the present work is directed towards the construction of a family of special finite elements for the numerical solution of the Reissner-Mindlin plate problem. The model describes the deformation of a plate when transverse shear deformation is taken into account. The model is widely used for thin to moderately thick plates. Despite its simple formulation, the numerical approximation is not straightforward. When standard low-order finite elements are used for the approximation the solution degenerates very rapidly for small thickness (locking phenomenon). To overcome such behaviour, non-standard formulations of the problem are usually combined with low-order finite elements to weaken or possibly eliminate the locking of the numerical solution.In recent years high-order finite elements have been introduced and successfully applied in several fields. Previously we have constructed a family of hierarchic high-order finite elements to solve the Reissner-Mindlin problem in its plain formulation. The locking was strongly reduced but was still active for very thin plates. Meanwhile some mixed-interpolated finite elements have been developed and shown to be locking free. In this paper we combine the two approaches, namely, the hierarchic high-order elements and the mixed-interpolated elements. The result is a family of special finite elements that exhibits both properties of convergence and robustness.
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  • 161
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    Communications in Numerical Methods in Engineering 11 (1995), S. 629-629 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 162
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    Communications in Numerical Methods in Engineering 11 (1995), S. 631-632 
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    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
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  • 163
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    Communications in Numerical Methods in Engineering 11 (1995), S. 981-993 
    ISSN: 1069-8299
    Keywords: boundary element method ; boundary geometry ; smooth modelling ; Lagrange elements ; Overhauser elements ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper reveals the conditions under which the approximations of the normal vector and global coordinates of interior points of two segments on a smooth contour can fail using the C1-continuous Overhauser elements. A new continuous modelling of the normal vector is developed using the standard Lagrange elements. The derivation is consistent with the assumptions employed in the boundary element method formulations of potential problems. Test numerical examples are considered in order to analyse the accuracy of the approximations based on the use of standard C0-continuous elements, Overhauser C1-continuous elements and the proposed ‘smooth’ C0 elements.
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  • 164
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    Communications in Numerical Methods in Engineering 11 (1995), S. 1039-1045 
    ISSN: 1069-8299
    Keywords: pure advection ; Lagrangian treatment ; control volume ; QUICKEST scheme ; large Courant numbers ; accuracy ; Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: The paper describes a new numerical algorithm for pure advection at large Courant numbers. The DISCUS scheme uses an accurate and proven control volume algorithm (QUICKEST) within a Lagrangian treatment of advection. By being in sympathy with the information flow dictated by characteristic lines, the scheme performs exceedingly well at Courant numbers greater than one. In contrast to existing Lagrangian schemes which use the characteristics to determine the grid points from which concentrations are interpolated, in DISCUS the characteristics are used to determine the appropriate location for the control volume. The scheme is of comparable accuracy to Eulerian schemes at Courant numbers less than one, but it increasingly outperforms them as the Courant number increases. Indeed, the results reported illustrate the futility of using an Eulerian scheme at high Courant numbers.
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  • 165
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    Journal of High Resolution Chromatography 18 (1995), S. 348-352 
    ISSN: 0935-6304
    Keywords: Capillary electrophoresis ; Enantiomers ; Cyclodextrin polymer ; Organic modifiers ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Enantiomeric separation of some basic compounds, namely selegiline, amphetamine, and clenbuterol, was studied by capillary electrophoresis using an uncharged β-cyclodextrin polymer added to the background electrolyte at pH 2.5. Both complexation and resolution were influenced by the concentration of the chiral polymer confirming our previous results obtained in our earlier work for a wide number of pharmaceutical compounds. In this further study, we examined the influence of different organic additives to the background electrolyte on the enantioselectivity of the chiral selector, also using an extended number of analytes. In most cases, the use of an organic additive resulted in a decrease of resolution. However opposite to that, in some cases, e.g. ephedrine, the organic solvent proved to be essential to achieve enantiomeric resolution. Furthermore the influence of the capillary temperature on the resolution of the analytes was evaluated. Increase of temperature had a deleterious effect on the resolution of the enantiomers. For ephedrine, however, relatively high temperature (50 °C) proved to be advantageous, for the resolution of the optical isomers.
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  • 166
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    Journal of High Resolution Chromatography 18 (1995), S. 359-362 
    ISSN: 0935-6304
    Keywords: Derivatization of hydroxycarbamates ; Polar compounds in water ; Chemical ionization mass spectrometry ; n-Hexyl chloroformate ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A rapid and effective procedure, developed for the determination of polar compounds in water, has been applied to hydroxycarbamates. In few minutes, it is possible to perform a catalyzed derivatization of such compounds directly in the aqueous medium, using n-hexyl chloroformate. Extraction with n-hexane and injection into a benchtop GC-MS system are the only two further steps to complete the analysis. Chemical ionization proved to be more effective than electron impact to produce valuable mass spectra in terms of selectivity and sensitivity. Linear quantitative responses were demonstrated over a two-order-of-magnitude range. The minimum detectable concentration was 3 ppb for acetohydroxamic acid and 10 ppb for hydroxyurethane, obtained from Po river water samples spiked with the two hydroxycarbamate standards.
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  • 167
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    Journal of High Resolution Chromatography 18 (1995), S. 363-366 
    ISSN: 0935-6304
    Keywords: Supercritical fluid chromatography ; Open tubular column ; Carbon dioxide ; Dysoxylum pettigrewianum (Meliaceae) ; Dysoxylic acid ; Liquid crystalline stationary phase ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Open tubular supercritical fluid chromatography (SFC) with carben dioxide as the mobile phase has been investigated for the separation of four triterpene acids, two of which were structural isomers. These compounds, isolated from Dysoxylum pettigrewianum (Meliaceae), were chromatographed on three stationary phases with different selectivities. 30%-biphenylmethylpolysiloxane and polyethylene glycol (Carbowax 20M) phases exhibited poor chromatographic selectivity for the compounds. The separation was improved by employing the shape selectivity of a liquid crystalline biphenylcarboxylate ester polysiloxane and utilizing simultaneous temperature and pressure programming. The elution order was explained on the basis of the molecular structures of the triterpene acids, and their interaction with the liquid crystal phase.
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  • 168
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    Journal of High Resolution Chromatography 18 (1995), S. 733-734 
    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 18 (1995), S. 760-760 
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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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  • 170
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    Journal of High Resolution Chromatography 18 (1995), S. 9-14 
    ISSN: 0935-6304
    Keywords: Capillary gas chromatography ; Atomic emission detection ; Low-resolution monochromator ; Near-infrared region ; Non-specific responses ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A single 0.2 m focal length near-IR monochromator providing a 0.8-3.2 nm effective bandpass was evaluated as spectrometer for F-, Cl-, Br-, I-, S-, and P-selective atomic emission detection in capillary gas chromatography. With optimized plasma conditions and careful wavelength selection, interferences from eluting hydrocarbons were almost eliminated for all the elements studied (element-to-carbon selectivities between 1000:1 and 10000:1). For Cl and S, other heteroatoms were found not to cause cross-interferences. F-, Br-, I-, and P-selective detection, however, was complicated by this second type of non-specificity. For these atoms, elemental confirmation was carried out by analyzing the samples also for heteroatoms potentially causing interferences.
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  • 171
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    Journal of High Resolution Chromatography 18 (1995), S. 15-18 
    ISSN: 0935-6304
    Keywords: Ozone removal ; Potassium iodide ozone trap ; Artifact formation ; Organic iodine compounds ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Trace atmospheric gases have been sampled using potassium-iodide-based reactant traps for ozone removal. GC-MS analysis revealed the presence of organic iodine compounds which were present neither in the atmosphere nor as contaminants of the materials used, but more likely arose from reactions of organic gases or aerosols sampled with reactive iodine or hypoiodite released from reaction of ozone with potassium iodide in the traps. Losses of the individual organic trace gases measured were not, however, observed as a result of this mechanism. Several cautions in identifying unknown compounds from the atmosphere when using potassium iodide ozone traps are discussed.
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  • 172
    ISSN: 0935-6304
    Keywords: On-line extraction ; Large volume introduction ; Capillary gas chromatography ; Atomic emission detection ; Solvent venting ; Pesticides ; Ground water ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The on-line coupling of a liquid-liquid extraction system with capillary gas chromatography using atomic emission detection (GC-AED) has been studied. The required large volumes of about 100 μl of an iso-octane solution can be introduced into the GC-AED system by using the AED solvent vent and a solvent vapor exit in front of the capillary analytical column. Test solutions containing several pesticides were detected using the carbon, chlorine, nitrogen and sulfur channels. Analyte detectability (in concentration units) was improved significantly and low concentractions of the test compounds could be determined (1-5 ng/ml). Aqueous samples were on-line extracted and analyzed. The precision of the large-volume injection itself as well as the total extraction-GC-AED system was satisfactory (RSD of ca. 2 and 4%, respectively). As a real-life application, several ground water samples were screened.
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  • 173
    ISSN: 0935-6304
    Keywords: Bacterial chiral polyesters ; Hydroxy fatty acids ; Enantio-MDGC analysis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The direct enantioselective analysis of 3-, 4-, and 5-hydroxy fatty acids from biological material has been achieved by enantioselective multidimensional gas chromatography (enantio-MDGC) with heptakis(2,3-di-O-methyl-6-O-tert-butyldimethylsilyl)- or (2,3-di-O-acetyl-6-O-tert-butyldimethylsilyl)-β-cyclodextrin as chiral stationary phase. All the bacteria investigated produced polyesters of enatiomerically pure (R) configured compounds.
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  • 174
    ISSN: 0935-6304
    Keywords: Capillary Electrophoresis ; Mass spectrometry ; Preconcentration-CE ; Transient isotachophoresis ; Peptide mixture ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
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  • 175
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    Journal of High Resolution Chromatography 18 (1995), S. 387-388 
    ISSN: 0935-6304
    Keywords: Size exclusion chromatography ; Gasoline additives ; Evaporative light-scattering detection ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 4 Ill.
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  • 176
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    Journal of High Resolution Chromatography 18 (1995), S. 389-391 
    ISSN: 0935-6304
    Keywords: HPLC ; Optical resolution ; Chiral phase ; Substituted amylopectin tris(phenylcarbamate) derivatives ; Benzodiazepines ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 5 Ill.
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    Journal of High Resolution Chromatography 18 (1995), S. 392-392 
    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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  • 178
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    Journal of High Resolution Chromatography 18 (1995) 
    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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  • 179
    ISSN: 0935-6304
    Keywords: High-speed GC ; Electron capture detector (ECD) ; Detection limits ; PCBs ; Pesticides ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In this work the combination of high-speed narrow-bore capillary GC with electron capture detection is evaluated. The make-up gas flow rate is a key parameter in the successful coupling of narrowbore columns and ECD detection. The make-up flow has to be as high as possible to eliminate peak tailing caused by the large detection cell volume. The sensitivities at these elevated make-up flow rates (400 to 1000 ml/min), measured for some pesticides like HCB and dieldrin, were very good. Detection limits for these compounds of 0.1 pg were obtained, resulting in minimum detectable concentrations of approximately 0.2 ppb. The performance of the system is illustrated by several high-speed analyses of environmentally relevant samples of PCBs and pesticides.
    Additional Material: 10 Ill.
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  • 180
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    Journal of High Resolution Chromatography 18 (1995), S. 417-421 
    ISSN: 0935-6304
    Keywords: Microwave extraction of PCBs ; Water samples ; Low ng/L concentration ; ECD quantitation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The microwave energy produced by a high intensity microwave oven was used to extract polychlorinated biphenyls (PCB) from water samples. This static method was compared with liquid-liquid extraction to determine the optimum and limiting conditions in extraction processes. The sample size and sample container shape determine the temperature profiles in the sample. Using a 500 mL sample size, the detection limit is in the low ng/L range when an electron capture detector is employed.
    Additional Material: 3 Ill.
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  • 181
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    Journal of High Resolution Chromatography 18 (1995) 
    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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  • 182
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    Journal of High Resolution Chromatography 18 (1995), S. 753-756 
    ISSN: 0935-6304
    Keywords: Capillary gas chromatography ; Electronic flow controller ; Advanced flow controller (AFC) ; Pressure programming ; Flow programming ; Automatic optimization ; Split injection ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An electronic gas-flow controller system called Advanced Flow Control (AFC), which controls not only carrier gas pressure at the column inlet but also the total gas flow including the split flow, was designed and evaluated. BASIC programming of repetitive analyses of standard mixtures under varied split ratios and pressure programs allowed automated optimization of those conditions for the desired column loading and resolution between adjacent peaks.
    Additional Material: 5 Ill.
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  • 183
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    Journal of High Resolution Chromatography 18 (1995), S. 757-759 
    ISSN: 0935-6304
    Keywords: CGC, ECD ; Ammonia, nitrogen ; Chlorophenols, nitro-aromatic compounds ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The effect of ammonia on the electron capture detector (ECD) response has been investigated. Nitrogen with different ammonia concentrations (5-20%) was used as make-up gas. Compared to pure nitrogen, the ECD response decreased when the ammonia concentration in the make-up gas was 5%. However, the response increased when the ammonia concentration was 20%. The response factor of 4-chlorophenol increased 4 fold when ammonia was 20%. Also, di- and tri-chlorophenols increased by 30-50%. The nitroaromatic compounds responses increased by about 2-3.7 times with 20% ammonia in the make-up gas. The signal-to-noise (S/N) increased when 20% ammonia in nitrogen was used as make-up gas compared to pure nitrogen. Also, the detector linearity increased by 50% with ammonia.
    Additional Material: 2 Ill.
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  • 184
    ISSN: 0935-6304
    Keywords: Capillary gas chromatography ; Solid phase microextraction ; Aqueous phase derivatization ; Tin-selective FPD ; Organotin speciation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 185
    ISSN: 0935-6304
    Keywords: Capillary GC ; Milkfat triglycerides ; PTV split and cold on-column ; Quantitation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 186
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    Journal of High Resolution Chromatography 18 (1995), S. 776-780 
    ISSN: 0935-6304
    Keywords: Capillary gas chromatography, mass spectrometry ; Purge and trap ; Apple juices ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
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  • 187
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    Journal of High Resolution Chromatography 18 (1995), S. 367-372 
    ISSN: 0935-6304
    Keywords: Fluvalinate residues ; Honey ; Gas chromatography-atomic emission detection (GC-AED) ; Gas chromatography-mass spectrometry (GC-MS) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Two hyphenated techniques, gas chromatography-mass spectrometry and gas chromatography-atomic emission detection, have been used to identify the degradation products of the acaricide fluvalinate in a methanol solution of the commercially available formulation Mavrick, as well as in honey from beehives treated with this product. The major degradation products were 2-chloro-4-trifluoromethylaniline (I), methyl 2-[2-chloro-4-trifluoromethylaniline]-3-methylbutanoate (II), N-(2-chloro-4-trifluoromethyl-phenyl)valine (III), and 3-phenoxybenzaldehyde (IV). Fluvalinate in honey is gradually degraded, 3-phenoxybenzaldehyde being the most abundant residue.
    Additional Material: 5 Ill.
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  • 188
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    Journal of High Resolution Chromatography 18 (1995), S. 540-544 
    ISSN: 0935-6304
    Keywords: Capillary electrochromatography (CEC) ; Retention factors ; Microcolumn liquid chromatography ; Capillary zone electrophoesis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Retention factors in capillary electrochromatography (CEC) were calculated by means of theoretically derived equations and experimentally determined parameters in microcolumn liquid chromatography and capillary zone electrophoresis. It was found that the retention factor of uncharged components in CEC was about 20% higher than was calculated. The derived equations do not take into account alteration of the nature of the stationary phase or distribution constant by the applied electric field. However, the influence of the electric field on the retention in CEC can be estimated. Individual field contributions could not be determined.
    Additional Material: 6 Tab.
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  • 189
    ISSN: 0935-6304
    Keywords: Capillary gas chromatography ; High performance liquid chromatography ; Alkyl-nitrile phases ; Lipid oxidation ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 190
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    Journal of High Resolution Chromatography 18 (1995), S. 784-784 
    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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  • 191
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    Journal of High Resolution Chromatography 18 (1995), S. 28-32 
    ISSN: 0935-6304
    Keywords: Capillary GC ; Isotope ratio MS ; GC-on-line combustion ; IRMS-ITD coupling ; GC capillary eluate splitting ; Organic acids ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An isotope ratio mass spectrometer and an ion trap mass spectrometer have been coupled in parallel to one gas chromatograph. Using this arrangement both the 13C/12C ratio and the mass spectrum of a given compound can be measured simultaneously under identical gas chromatographic conditions. Although column connection fittings are employed to split the capillary eluate, chromatographic performance was barely impaired. Development of the system has been monitored by recording δ13C values of the constituents of Grob test mixture no. 2. The accuracy and reliability of system performance has also been tested.
    Additional Material: 3 Ill.
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  • 192
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    Journal of High Resolution Chromatography 18 (1995), S. 378-380 
    ISSN: 0935-6304
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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  • 193
    ISSN: 0935-6304
    Keywords: Capillary GC ; Equilibrium headspace sampling ; Tenax TA trapping ; Thermal desorption ; TD-GC-MS ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Volatile compounds from biodegradable household waste and infected building materials have been studied by dynamic or equilibrium headspace sampling and concentration on Tenax TA followed by thermal desorption and HRGC-MS. Equilibrium headspace sampling was also used to study vegetables stored for 14-18 days at ambient temperature. Over 200 compounds were tentatively identified. The concentration of organic sulfur compounds from garden waste was high enough to contribute to respiratory problems of waste handling personnel. Nitriles, alkyl nitro compounds, and alkyl nitrates were isolated from radish and carrot samples at low concentrations (10-50 ppb). Air monitoring in waste handling working environments may be required to ensure the safety of personnel. Branched aliphatic aldehydes, carboxylic acids, esters, and 2-alkanones were found in the headspace of the infected building materials, indicating that volatile compounds may be useful for detection of microbial growth in buildings.
    Additional Material: 1 Ill.
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  • 194
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    Journal of High Resolution Chromatography 18 (1995), S. 381-383 
    ISSN: 0935-6304
    Keywords: Capillary electrophoresis ; Preconcentration-CE ; Drug metabolites ; Peptides ; On-line sample concentration ; Analyte stacking ; Transient isotachophoresis ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
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  • 195
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    Journal of High Resolution Chromatography 18 (1995), S. 449-451 
    ISSN: 0935-6304
    Keywords: Reversed phase LC ; Industrial contaminants ; Amino nitro phenols ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 196
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    Journal of High Resolution Chromatography 18 (1995), S. 452-454 
    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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    Journal of High Resolution Chromatography 18 (1995), S. 455-455 
    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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  • 198
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    Journal of High Resolution Chromatography 18 (1995), S. 666-666 
    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
    ISSN: 0935-6304
    Keywords: HPLC ; Reversed phase ; 4-Methyl-5-vinylthiazole ; Phenolic derivatives ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
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  • 200
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    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 18 (1995), S. 675-678 
    ISSN: 0935-6304
    Keywords: Capillary zone electrophoresis (CZE) ; Stacking effect ; Cationic surfactant ; Cr(VI) ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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