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  • Electronic Resource  (249)
  • 1990-1994  (182)
  • 1965-1969  (67)
  • Chemistry  (248)
  • Computational Chemistry and Molecular Modeling
  • 1
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Chirality 3 (1991), S. 471-475 
    ISSN: 0899-0042
    Keywords: amino acids ; kinetics ; epimers ; OPA ; postcolumn reaction detection ; fluorescence detection ; amino acid racemization ; dating methods ; Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The kinetics of the reaction of the amino acid epimers L-isoleucine, D-alloisoleucine, L-threonine, and D-allo-threonine with o-phthaldialdehyde and mercaptoethanol were determined at 25°C. L-Isoleucine reacts faster than its D-epimer whereas L-threonine reacts slightly slower than its D-epimer. In the case of isoleucine, the consequence can be an allo/iso ratio which in the worst case is 25% too low if these amino acids are quantified by liquid chromatography and o-phthaldialdehyde fluorescence detection. The effect on dating of fossils by amino acid racemization is discussed.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 596 (1991), S. 89-92 
    ISSN: 0044-2313
    Keywords: Calcium oxychloride ; preparation ; crystal structure ; Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: An Oxychloride of Calcium: Ca4OCl6Ca4OCl6 (hexagonal, P63mc, Z = 2), a = 905.8(3), c = 686.3(4) pm, (R = 0.031) crystallizes as colourless needles from reducing melts (CaCl2, Ca) that contain small amounts of „oxygen“. It contains „isolated“ tetrahedral units [Ca4O] and is isotypic with e.g., Ba4OCl6, Yb4OCl6 and K6HgS4. Ca4OCl6 does not form in the dehydration process of, for example, CaCl2 · 6 H2O.
    Notes: Ca4OCl6 (hexagonal, P63mc, Z = 2, a = 905.8(3)); c = 686.3(4) pm, (R = 0,031) kristallisiert in Form farbloser Nadeln aus „reduzierenden Schmelzen“ (CaCl2, Ca), die wenig „Sauerstoff“ enthalten. Es enthält „isolierte“ tetraedrische [Ca4O]-Einheiten und ist isotyp mit z. B. Ba4OCl6, Yb4OCl6 oder K6HgS4. Ca4OCl6 entsteht nicht beim Entwässern von z. B. CaCl2 · 6 H2O.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The variety of results of crystallographic studies of the serine proteases complexed with isocoumnrin inhibitors presents a challenging problem to modeling methods and molecular energetics. Therefore, the thermodynamic cycle-perturbation technique has been used to study a model system of elastase and two peptidic inhibitors. Using the program AMBER, the technique correctly predicts changes of the binding constants for the trifluoroacetyl dipeptide inhibitors in comparison with available experimental (kinetic and crystallographic) data. However, the absolute values obtained are shown to be sensitive to the specific electrostatic interaction potential parameters used in the simulations. The reader and user are cautioned that thermodynamic cyle-perturbation results may be too optimistic by underestimating the accuracy of free energy values. This is especially a matter of concern for those cases where a direct comparison with experimental values is not possible, viz., (1) the simulation of binding of novel compounds, (2) structurally uncertain binding sites, or (3) structurally different binding modes. With our best 4-31G* ESP (electrostatic potential) charges we were able to reproduce experimentally determined free energy differences (ΔΔA) with an accuracy of about 1.5 kcal/mol. Dynamically induced structural changes in the binding site of elastase, and particularly changes in hydrogen-bond patterns of the binding site, are also reported.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 0003-3146
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Description / Table of Contents: Einige für den kombinierten Polymer-Tensid-Einsatz in der tertiären Erdölförderung (EOR) diskutierte Substanzen wurden mittels statischer und dynamischer Lichtstreuung charakterisiert und bezüglich ihrer Anwendbarkeit in unterschiedlich salinaren Modellwässern durch rheologische und rheologisch-dynamische Messungen unter-sucht.Als Polymere wurden Xanthan sowie unterschiedlich hydrolysierte Polyacrylamide verwendet, als Tensid ein Ethylenglykolsulfonat. Es ließen sich Korrelationen zwischen mikroskopischen Strukturparametern (z. B. hydrodynamischer Radius, Trägheitsradius, Molekulargewicht, Gestaltparameter der gelösten Polymeren) und makroskopischem Verhalten wie Viskosität aufstellen, welche für den EOR-Einsatz wichtige rheologische Parameter darstellen.Mit ergänzenden Messungen (Oberflächenspannung, zeitabhängiges Viskositätsverhalten) können Aussagen über die Effizienz und Langzeitstabilität eingesetzter Polymer-Tensid-Slugs in unterschiedlich salinaren Lagerstätten gemacht werden.
    Notes: Some materials, suitable for application in polymer-surfactant flooding used in tertiary oil recovery (EOR), have been characterized by static and dynamic light scattering and studied in respect to their suitability in various model brines by measuring their rheological and dynamic-rheological behaviour. Xanthan and polyacrylamides of different degree of hydrolysis have been used as polymers, an ethylene glycol sulfonate as surfactant.Correlations have been established between microscopic structural parameters (Hydrodynamic radius, radius of gyration, molar mass, shape of the polymers) and the macroscopic behaviour, such as viscosity and elasticity, being important rheological parameters for EOR application. Additional investigations on surface tension and long term viscosity study lead then to a judgement for the efficiency and long term stability of polymer-surfactant slugs in various reservoirs of different salinity.
    Additional Material: 15 Ill.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 99 (1966), S. 3060-3062 
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 98 (1965), S. 93-97 
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Die Inversion des C-3 im Molekül des D-Altrosamins unter Nachbargruppenbeteiligung führte zum Oxazolin III und zum Aziridin IV. Durch Einführung einer Aminogruppe in III und Ringöffnung wurde das 2.6-Diamino-2.6-didesoxy-β-D-mannose-dihydrochlorid kristallisiert erhalten.  -  Umsetzung des Tosylamins XII mit Natriumacetat ergab Ringschluß zu einem Derivat der 2.6-Imino-2.6-didesoxy-α-D-altrose (XIII).
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 98 (1965), S. 2049-2050 
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 101 (1968), S. 3652-3654 
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 101 (1968), S. 2289-2293 
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Ausgehend vom Oxazolin 1 wird die Synthese der Titelverbindung durch Inversion der Konfiguration an C-3 und selektive Einführung der zweiten Aminogruppe an C-6 beschrieben.
    Type of Medium: Electronic Resource
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  • 10
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 101 (1968), S. 2294-2301 
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Versuche zur Darstellung des 6-Amino-6-desoxy-L-idopyranose-hydrochlorids (11) aus 5 zeigten, daß dieser Zucker auch in kristallinem Zustand instabil ist und nicht rein isoliert werden kann. Die freie Base cyclisiert sofort unter Bildung der 1.6-Iminoverbindung 8. Ein neuer Syntheseversuch konnte nicht über das Oxazolin 20, hinausgeführt werden.
    Type of Medium: Electronic Resource
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