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  • Analytical Chemistry and Spectroscopy  (8)
  • Engineering  (7)
  • Biochemistry and Biotechnology  (2)
  • 1
    Digitale Medien
    Digitale Medien
    Generalized geometric programming with many equality constraints (1987)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 24 (1987), S. 725-741 
    Details
    ISSN: 0029-5981
    Schlagwort(e): Engineering ; Engineering General
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Mathematik , Technik allgemein
    Notizen: A monomial treatment for solving mixed equality/inequality constrained generalized geometric programs is presented. The method is shown to be equivalent to a Newton-Raphson procedure carried out in log space on the equality constraints at the same time that a cutting plane procedure is performed on a convex region constrained within the feasible region of the inequality constraints. Known limitations of this monomial treatment are outlined and a technique for improving the efficiency of the GGP method is suggested. A discussion of how other methods of solving mixed equality/inequality constrained GGP problems compare to the monomial treatment is presented and two example problems are solved.
    Zusätzliches Material: 3 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/nme.1620240406
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  • 2
    Digitale Medien
    Digitale Medien
    A hypothetical complex between crystalline flavocytochrome b2 and Cytochrome c (1993)
    New York, NY : Wiley-Blackwell
    Proteins: Structure, Function, and Genetics 16 (1993), S. 408-422 
    Details
    ISSN: 0887-3585
    Schlagwort(e): heme ; flavin ; electron transfer proteins ; crystal packing ; molecular modeling ; energy minimization ; electrostatic interactions ; Chemistry ; Biochemistry and Biotechnology
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Medizin
    Notizen: Flavocytochrome b2 and cytochrome c are physiological electron transfer partners in yeast mitochondria. The formation of a stable complex between them has been demonstrated both in solution and in the crystalline state. On the basis of the three-dimensional structures, using molecular modeling and energy minimization, we have generated a hypothetical model for the interaction of these redox partners in the crystal lattice. General criteria such as good charge and surface complementarity, plausible orientation, and separation distance of the prosthetic groups, as well as more specific criteria such as the stoichiometry determined in the crystal, and the involvement of both domains and of more than one subunit of flavocytochrome b2 led us to discriminate between several possible interaction sites. In the hypothetical model we present, four cytochrome c molecules interact with a tetramer of flavocytochrome b2. The b2 and c hemes are coplanar, with an edge-to-edge distance of 14 Å. the contact surface area is ca. 800 Å2. Several electrostatic interactions involving the flavin and the heme domains of flavocytochrome b2 stabilize the binding of cytochrome c. © 1993 Wiley-Liss, Inc.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/prot.340160409
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  • 3
    Digitale Medien
    Digitale Medien
    Capillary electrophoresis/electrospray ionization ion trap mass spectrometry using a sheathless interface (1995)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Microcolumn Separations 7 (1995), S. 461-469 
    Details
    ISSN: 1040-7685
    Schlagwort(e): mass spectrometry ; on-line capillary electrophoresis ; MS / MS analysis ; sheathless electrospray source ; peptides ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Notizen: The sensitivity that can be obtained with the quadrupole ion trap for on-line CE analysis using a sheathless electrospray interface and gold-tipped columns is examined. Capillaries of different i.d. are compared in continuous infusion experiments and the effects of sheath solvents on the signal for some peptides and proteins are illustrated. The sheathless CE/ITMS system using 20 μm i.d. columns is shown to provide mid-attomole detection levels for leucine enkephalin in total ion electropherograms under full scan conditions. Good quality MS/MS spectra are also obtained for low femtomole injections of this peptide.
    Zusätzliches Material: 7 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/mcs.1220070505
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  • 4
    Digitale Medien
    Digitale Medien
    Simultaneous determination of the electroosmotic flow and pseudo-stationary phase migration time in electrokinetic capillary chromatography (1995)
    Weinheim : Wiley-Blackwell
    Journal of High Resolution Chromatography 18 (1995), S. 439-442 
    Details
    ISSN: 0935-6304
    Schlagwort(e): Electrokinetic chromatography (EKC) ; Pseudo-stationary phase ; Electroosmotic flow ; Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie
    Zusätzliches Material: 2 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/jhrc.1240180709
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  • 5
    Digitale Medien
    Digitale Medien
    Ion-trap mass spectrometry with an inductively coupled plasma sourcePaper presented in part at the 41st ASMS Conference on Mass Spectrometry and Allied Topics, 30 May-4 June, 1993, San Francisco, CA, USA. (1994)
    New York, NY : Wiley-Blackwell
    Rapid Communications in Mass Spectrometry 8 (1994), S. 71-76 
    Details
    ISSN: 0951-4198
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Physik
    Notizen: A new mass spectrometry technique using an inductively coupled plasma (ICP) ionization source and an ion-trap mass spectrometer (ITMS) detector is described and evaluated for elemental and isotopic analysis. Initial results obtained with the ICP-ITMS technique include sub-ppb detection of bare ions for, most elements, complete destruction of typical polyatomic matrix ions (e.g., CIO+, ArO+, and ArCl+), and effective neutralization of strong Ar+ ion currents. The latter effects allow observation of clearer mass spectra at m/z 〈 80 and potentially improved detection of ‘problem’ elements in ICP-MS (e.g., K, Ca, V, Fe, As, and Se). Formation of poly-oxide and -hydroxide ions of metals with high oxide bond strengths were observed and require system modifications to alleviate.
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/rcm.1290080114
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  • 6
    Digitale Medien
    Digitale Medien
    Charged vs. neutral nucleobase loss from multiply charged oligonucleotide anions (1995)
    Chichester : Wiley-Blackwell
    Biological Mass Spectrometry 30 (1995), S. 1222-1229 
    Details
    ISSN: 1076-5174
    Schlagwort(e): Chemistry ; Analytical Chemistry and Spectroscopy
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Chemie und Pharmazie , Physik
    Notizen: Tandem mass spectra of a variety of adenine-containing deoxynucleic acid anions obtained using collisional activation in a quadrupole ion trap are described. Data are reported for singly charged mono-, di- and trinucleotide species, and also for multiply charged anions derived from tri-, tetra-, penta- and hexanucleotides. Attention is focused on the first step in the unimolecular decomposition of these species, namely the loss of the nucleobase. Specifically, the competition between the loss of the nucleobase as a neutral versus its loss as an anion is addressed within the context of a proposed proton-bound intermediate consisting of the nucleobase and a phosphodiester linkage. The data are interpreted on the basis of the energy surface involved in the break-up of the proton-bound intermediate, which can explain why the competition between loss of a neutral versus charged base is strongly dependent upon the charge of the parent ion.
    Zusätzliches Material: 8 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/jms.1190300903
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  • 7
    Digitale Medien
    Digitale Medien
    A finite element algorithm for elliptical equations over unstructured domains on a data parallel computerComputational resources were provided by Sandia National Laboratories, Albuquerque, New Mexico and Los Alamos National Laboratories, Los Alamos, New Mexico. (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 3153-3167 
    Details
    ISSN: 0029-5981
    Schlagwort(e): Engineering ; Engineering General
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Mathematik , Technik allgemein
    Notizen: In the past, most finite element algorithms on data-parallel computers have been limited to structured problem domains. Here, we consider methods to generalize the finite element method on data-parallel architectures to unstructured domains. A nodal assembly algorithm is described which effectively allows for both the generation of the sparse interaction matrix (coefficient matrix) and its solution via a preconditioned conjugate-gradient type routine utilizing several polynomial preconditioners on the Connection Machine 200 (CM-200). Jacobi preconditioning along with Neumann series and least-squares polynomial preconditioners are presented and implemented are presented and implemented. Only the Jacobi preconditioner produces an improvement in the convergence time for the problems examined. Several irregular interprocessor communication protocols available on the CM-200 are investigated in the solution portion of the algorithm, yielding differing performance characteristics. For one such protocol, sustained performance of over two-hundred MFlops/s, is demonstrated for a test problem on a 512 processing element CM-200 in slicewise mode. The results are discussed and conclusions are drawn concerning this finite element algorithm.
    Zusätzliches Material: 6 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/nme.1620371809
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  • 8
    Digitale Medien
    Digitale Medien
    A move coordination method for alternative loads in structural optimization (1989)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 28 (1989), S. 1041-1060 
    Details
    ISSN: 0029-5981
    Schlagwort(e): Engineering ; Engineering General
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Mathematik , Technik allgemein
    Notizen: A decomposition technique for alternative loading conditions in the integrated optimal structural design is developed. The method, called the move coordination, consists of partitioning the large structural optimization problem into a set of smaller coupled subproblems. In each subproblem only one loading condition is considered and the subproblems are solved in a parallel cyclic way. The coupling among the subproblems is accomplished through the introduction of coordinating constraints between each subproblem. These constraints ensure that the final design is the same and feasible for all subproblems. The method developed is illustrated by two examples of member sizing of truss structures using the integrated optimal design formulation and geometric programming. The method presents the advantage of reducing the size of the optimization problem as well as the computer processing time. The method is also suitable for implementation on computers using parallel processing.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/nme.1620280505
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  • 9
    Digitale Medien
    Digitale Medien
    The monomial method and asymptotic properties of algebraic systems (1994)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 37 (1994), S. 3939-3955 
    Details
    ISSN: 0029-5981
    Schlagwort(e): Engineering ; Engineering General
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Mathematik , Technik allgemein
    Notizen: The monomial method is a numerical method for solving systems of algebraic equations. It is related to Newton's method, but is based on an approximation that is monomial, rather than linear, in form. It has been shown previously that the monomial method has a number of properties not shared by Newton's method that are responsible for enhanced performance. This paper demonstrates that many of the performance characteristics of the monomial method can be explained in terms of asymptotic properties of algebraic systems, and the ability of the monomial method to exploit these properties. The monomial method recasts the algebraic system to have monomial asymptotes in all directions, so that the monomial approximation becomes asymptotically exact. This explains the very rapid movement toward a solution in the first iteration from distant starting points that has been observed with the monomial method. Problem types with ‘good asymptotics’ are found to be solved very effectively by the monomial method. Several specific engineering applications with good asymptotics are identified, and suggestions are made regarding other types of engineering applications that are likely to be handled effectively by the monomial method.
    Zusätzliches Material: 9 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/nme.1620372211
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  • 10
    Digitale Medien
    Digitale Medien
    Phase-space representation of iterative design processes (1991)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 32 (1991), S. 327-346 
    Details
    ISSN: 0029-5981
    Schlagwort(e): Engineering ; Engineering General
    Quelle: Wiley InterScience Backfile Collection 1832-2000
    Thema: Mathematik , Technik allgemein
    Notizen: A large variety of design optimization methods have been proposed in recent years. Comparison of the relative performance of each method is a difficult task, and attempts to do so are often based on a limited number of numerical experiments. Recently, a ‘basins of attraction’ construction has been proposed as a graphical tool for investigating global performance of iterative design optimization methods, and as a basis for comparison of different methods. The phase-space representation presented in this paper is a companion to the basins of attraction construction. Basins of attraction reveal the relationship between starting design and final outcome of the solution process; the phase-space construction reveals that nature of the paths connecting the starting design and final outcome. The two constructions complement one another in summarizing the performance of design optimization processes. Both constructions are demonstrated in this paper, applied to the optimal design of an elastic grillage structure using Newton's method and the stress ratio method.
    Zusätzliches Material: 21 Ill.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1002/nme.1620320207
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