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  • 1980-1984  (5)
  • Computational Chemistry and Molecular Modeling  (4)
  • Cysteine proteinase inhibitor
  • Polymer and Materials Science
  • Prognosis
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Keywords
  • 1
    ISSN: 1432-1459
    Keywords: Guillain-Barré syndrome ; Nerve conduction velocity ; Prognosis ; Motor paralysis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine
    Description / Table of Contents: Zusammenfassung Klinisch-elektrophysiologische Untersuchungen wurden bei 39 Patienten mit Guillain-Barré Syndrom durchgeführt. Es ging um die Frage, welche Elemente in der akuten Phase eine prognostische Beurteilung zulassen. Bei 16 der Patienten, was 52% des Krankengutes entspricht, wurden residuelle Symptome wie motorische Schwäche, fehlende Patellarsehnenreflexe und so weiter nachgewiesen. Das Zurückbleiben von residuellen Symptomen korrelierte mit dem Alter bei Krankheitsbeginn, das Ausmaß der Tetraparese und das Ausmaß der Sensibilitätsstörungen in der akuten Phase. Acht der zehn Patienten, die eine Verminderung der motorischen Nervenleitgeschwindigkeit in einer frühen Krankheitsphase aufwiesen, zeigten später nennenswerte Restsymptome. Tendenzmäßig schienen Restsymptome häufiger bei jenen Patienten zu sein, welche eine Verlangsamung der Leitgeschwindigkeit gemischter Nerven und eine verlängerte Latenz der H-Welle sowie der Residuallatenz aufwiesen. Elektroneurographische Untersuchungen, im besonderen die Bestimmung der motorischen Leitgeschwindigkeit, erlauben zuverlässige Rückschlüsse auf die Prognose dieses Krankheitsbildes.
    Notes: Summary Clinical and electrophysiological studies were carried out on 39 patients with the Guillain-Barré syndrome to evaluate which elements were of prognostic value during the acute phase. Residual clinical signs such as motor weakness and absent patellar tendon reflexes were found in 16 (52%) of those patients who had had a preceding illness. Persistence of deficit was significantly correlated to age at onset, the degree of quadriparesis and loss of deep sensation in the acute phase. Of the 10 patients who showed a reduction in motor nerve conduction velocity (MCV) in the early stage, 8 (80%) revealed significantly residual clinical symptoms at follow-up. There was a tendency for the incidence of residual signs to be more common in the patients with slowing of mixed nerve conduction velocity, and prolonged latency of H-wave and the residual latency. Nerve conduction studies, especially measurement of MCV, were of value as a reliable prognostic indicator in this syndrome.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 25 (1984), S. 423-443 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The problem of bond length alternation in linear extended systems with conjugated double bonds is examined on a simple cyclic polyene model using finite-order many-body perturbation theory. Three different partitionings of the model Hamiltonian are employed, namely the Hückel, Møller-Plesset, and Epstein-Nesbet partitionings. The dependence of correlation energy on bond length alternation is examined in each case, showing an almost constant behavior of Møller-Plesset and Epstein-Nesbet perturbation energies in contrast to a strong dependence on distortion, favoring undistorted structures, for the Hückel perturbation and UHF correlation energies. The origin of an unphysical character of the Hückel perturbation theory and the inappropriateness of the UHF approach for the problem considered are pointed out. The second- and third-order Møller-Plesset and also the second-order Epstein-Nesbet perturbation theories yield results which are similar to those obtained with the RHF method and which clearly favor the bond length alternating structures, leading to the bond length distortion of about 0.045 Å and to the stabilization energy per site (relative to the equidistant geometry) of about 0.03 eV.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 24 (1983), S. 707-727 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The applicability of the finite-order many-body perturbation theory to the electron correlation problem in extended one-dimensional systems is examined. The cyclic polyenes CNHN, N = 4ν + 2, ν = 1, 2, …, with the DNh geometry as described by both the Pariser-Parr-Pople and Hubbard Hamiltonians, are employed to model the metallic-like one-dimensional systems. The second-order perturbation theory contributions to the correlation energy are obtained with three different partitionings of the Hamiltonian (Hückel, M⊘ller-Plesset, and Epstein-Nesbet). The third- and fourth-order contributions are also calculated in special cases. A comparison with other methods is given wherever available. For the Hubbard Hamiltonian the asymptotic behavior of the perturbation theory expansion is examined numerically. It is shown that the finite-order perturbation expansion can provide reliable results for the correlation energy of one-dimensional systems even in the correlation region which corresponds to the spectroscopically determined physical value of the coupling constant.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 237-244 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Problems which arise in the application of closed-shell coupled-cluster approaches to quasidegenerate or almost degenerate situations are discussed and the basic classification of quasidegeneracy types is outlined. Recent coupled-cluster results obtained for the cyclic polyene model, particularly in the strongly correlated limit, are briefly discussed and the unexpected features of approximate and localized coupled-pair approaches are pointed out.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 349-371 
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The finite-order many-body perturbation theory using the localized Wannier orbital basis is applied to the problem of bond length alternation in the Pariser-Parr-Pople model of cyclic polyenes CN HN, N = 4v + 2, which may be regarded as a simplified model of polyacetylene. Both the Møller-Plesset and the Epstein-Nesbet-type partitionings of the model Hamiltonian are employed. The localized orbital basis enables an efficient truncation of the perturbation theory summations over the intermediate states as well as an elimination of energetically unimportant diagrams, thus enabling one to obtain the fourth-order Møller-Plesset-perturbation energies with a relatively small computational effort even for large polyenes. The results obtained with the second-, third-, and fourth-order Møller-Plesset and with the third-order Epstein-Nesbet perturbation theories yield very similar bond length distortions (about 0.05 Å) and stabilization energies per site (about 0.04 eV) as obtained earlier with the RHF, one-parameter AMO, and delocalized orbital perturbation theories. The effects of truncation and diagram elimination in the fourth-order Møller-Plesset perturbation theory and the abnormal behavior of the second-order Epstein-Nesbet perturbation theory results in the localized Wannier basis near the instability threshold of the RHF solutions are discussed.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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