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  • 1990-1994  (181)
  • 1975-1979  (97)
  • 1945-1949  (36)
  • Chemistry  (311)
  • Hybrids, linear combination of ∼
  • 1
    Electronic Resource
    Electronic Resource
    The kinetics of diastereomeric amino acids with o-phthaldialdehyde (1991)
    New York, NY [u.a.] : Wiley-Blackwell
    Chirality 3 (1991), S. 471-475 
    Details
    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
    URL: http://dx.doi.org/10.1002/chir.530030611
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  • 2
    Electronic Resource
    Electronic Resource
    Über ein Oxidchlorid des Calciums: Ca4OCl6 (1991)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 596 (1991), S. 89-92 
    Details
    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
    URL: http://dx.doi.org/10.1002/zaac.19915960112
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  • 3
    Electronic Resource
    Electronic Resource
    Linear combination of hybrid orbitals: Acyclic alkanes (1977)
    Springer
    Theoretical chemistry accounts 43 (1977), S. 287-297 
    Details
    ISSN: 1432-2234
    Keywords: Hybrids, linear combination of ∼ ; Saturated organic compounds, MO treatment of ∼ ; Spectra, far ultraviolet
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract A LCHO SCF-CI semiempirical scheme is formulated for compounds of carbon and hydrogen, and far-UV transition energies computed for a number of acyclic alkanes. The type of spectral bands (CH → CH*, etc.) and symmetries of subbands are assigned, and their dependence on conformation and branching discussed. It is argued that, for pentanes and higher alkanes, spectral quantities can be estimated from data on the lower alkanes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00548685
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  • 4
    Electronic Resource
    Electronic Resource
    Comments on the electronic properties of cyclopropane, cyclobutane, and cyclohexane (1977)
    Springer
    Theoretical chemistry accounts 45 (1977), S. 45-52 
    Details
    ISSN: 1432-2234
    Keywords: Hybrids, linear combination of ∼ ; Saturated organic compounds, MO treatment of ∼ ; Spectra, far ultraviolet ∼ ; Cyclobutane, auxochromic effect of ∼
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Spectral quantities of cyclopropane, cyclobutane, cyclohexane, and of several derivatives, have been calculated by a semiempirical all-valence electron SCF-CI MO method. In cyclopropane, HOMO is practically localized in the carbon-frame, and LVMO is purely so. In cyclobutane, these two MO's are based on C-H bonds, while cyclohexane holds an intermediate position. Despite the overall similarity-experimental and computed-of the spectra of these molecules, assignments are non-parallel. Like cyclopropane, cyclobutane can extend conjugation, but to a diminished degree; cyclohexane behaves in this respect like an acyclic alkane. An interpretation of this gradation, in terms of the nature of high-lying MO's, is proposed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00551457
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  • 5
    Electronic Resource
    Electronic Resource
    Molecular-orbital realizations of the bent-bond model: Spiranic derivatives of cyclobutanone (1978)
    Springer
    Theoretical chemistry accounts 47 (1978), S. 27-38 
    Details
    ISSN: 1432-2234
    Keywords: Hybrids, linear combination of ∼ ; Saturated organic compounds, MO treatment of ∼ ; Small rings ; Carbonyl stretching frequency
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract In the frame of our studies on small-ring compounds, we deal here with structures in which a three-membered ring and a carbonylated four-membered ring are fixed in close proximity. The theoretical approach is through an allvalence electron semiempirical method. The experimental background, based on results of other workers, comprises mainly UV and IR spectral data. The main topics to be discussed are: charge-donation and charge-transfer from the 3-ring, hypsochromic and bathochromic shifts of electronic transitions related to the carbonyl, direct substituent effects on the carbonyl stretching frequency, and the across-ring interaction in cyclobutanone.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00554694
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  • 6
    Electronic Resource
    Electronic Resource
    Thermodynamic cycle-perturbation study of the binding of trifluoroacetyl dipeptide anilide inhibitors with porcine pancreatic elastase (1990)
    New York : Wiley-Blackwell
    Biopolymers 30 (1990), S. 773-780 
    Details
    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
    URL: http://dx.doi.org/10.1002/bip.360300712
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  • 7
    Electronic Resource
    Electronic Resource
    Correlation between microscopic structural parameters and macroscopic flow behaviour of some polymer-surfactant systems suitable for tertiary oil recovery (1992)
    Weinheim : Wiley-Blackwell
    Angewandte Makromolekulare Chemie 195 (1992), S. 57-77 
    Details
    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
    URL: http://dx.doi.org/10.1002/apmc.1992.051950104
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  • 8
    Electronic Resource
    Electronic Resource
    A method for measuring sedimentation and diffusion of macromolecules in capillary tubes by total intensity and quasi-elastic light-scattering techniquesPresented in part at the Symposium on New Generation Instrumentation in Rheology, Rheology Society, Cincinnati, Ohio, January 1973, by M. H. Birnboim. (1975)
    New York : Wiley-Blackwell
    Biopolymers 14 (1975), S. 419-430 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Light scattered from a macromolecular solution in a capillary tube is used to determine both the sedimentation and translational diffusion coefficients. The capillary tube is spun in a preparative centrifuge, removed, and placed in a light-scattering photometer equipped with a scanning mechanism. The intensity distribution of scattered light along the tube represents the concentration profile in the tube and provides the measure of boundary migration. The sedimentation coefficient is determined from this measure and the applied centrifugal field. The diffusion coefficient is obtained from a time-autocorrelation analysis of fluctuations in intensity of light scattered from any fixed point of the profile. These coefficients were obtained for two monodisperse systems, R17 bacteriophage and 28s ribosomal rat liver RNA. The molecular weights obtained from ratios of these coefficients are in good agreement with literature values. In the sedimentation analysis, deviations from linearity between boundary displacement and applied field were found to be less than 1%. This precision confirms that the boundary is stable for the capillary geometry even in the absence of a preformed density gradient. The sedimentation coefficients of identical samples were also measured with the Spinco Model E analytical ultracentrifuge; results of the two methods agree to within 4%.As a consequence of the capillary tube geometry and light-scattering detection, sedimentation coefficients can be obtained from sample volumes of less than 100 μl. This detection techniques is thus far demonstrated to be at least an order of magnitude more sensitive than Schlieren optics, thereby useful when uv absorption is not applicable. For diffusion measurements there are also several inherent advantages. The diffusion coefficient is obtained from the identical sample, and scanning provides the capability to measure D from various parts of the sedimentation profiles and thereby directly explore concentration dependence, homogeneity, and integrity of the sample. The capillary tube with a layer of silicone oil over the sample and centrifugation provides an effective method to cleanse the solution and trap all dust.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1975.360140214
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  • 9
    Electronic Resource
    Electronic Resource
    Di- und Polyaminozucker, XXI. Synthese von Derivaten der 2,4-Diamino-2,3,4-tridesoxy-D-ribo-hexose (1975)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 108 (1975), S. 3397-3411 
    Details
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Di-and Polyamino Sugars, XXI. Synthesis of Derivatives of 2,4-Diamino-2,3,4-trideoxy-D-ribo-hexoseStarting with D-glucose the title compound has been synthesized as its di-N-acetyl. -trifluoroacetyl and N,N′-bis(2,4-dinitrophenyl) derivative. The free sugar could not be obtained in a pure state.
    Notes: Die Titelverbindung wurde, ausgehend von D-Glucose, in Form ihres Di-N-acetyl-, -trifluoracetyl- und ihres N,N′-Bis(2,4-dinitrophenyl)-Derivates erhalten. Reindarstellung des freien Zuckers gelang nicht.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19751081031
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  • 10
    Electronic Resource
    Electronic Resource
    Heterocyclische Siebenring-Verbindungen, XVI. Synthese gezielt 3,5-substituierter 4-Phenyl-1-benzothiepine (1975)
    Weinheim : Wiley-Blackwell
    Berichte der deutschen chemischen Gesellschaft 108 (1975), S. 3596-3610 
    Details
    ISSN: 0009-2940
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Heterocyclic Seven-membered Ring Compounds, XVI. Synthesis of 3,5-Substituted 4-Phenyl-1-benzothiepins4-Phenyl-1-benzothiepins 7 and 8 are synthesized starting from their 5-methoxy-2,3-dihydro-precursor 2; using the 2,5-dihydro-intermediate 12 yields the 4-phenyl-1-benzothiepins 13 and 14. The 1-benzothiepin 17 can be obtained from the diketone 1 directly. The 3-cyano-substituted compound 22 is prepared from its 2,5-dihydro-precursor 21. Some ring-contraction and ring-cleavage reactions of the heterocyclic seven-membered ring-system are described.
    Notes: Die 5-Methoxy-2,3-dihydro-Vorstufe 2 wird in die 4-Phenyl-1-benzothiepine 7 und 8 übergeführt; aus der 2,5-Dihydro-Vorstufe 12 werden die 4-Phenyl-1-benzothiepine 13 und 14 dargestellt. Das 1-Benzothiepin 17 wird direkt aus dem Siebenring-Diketon 1 erhalten. Das 3-cyan-substituierte 1-Benzothiepin 22 erhält man aus der 2,5-Dihydro-Vorstufe 21. Es werden einige Ringverengungsbzw. Ringspaltungsreaktionen des heterocyclischen Siebenring-Systems beschrieben.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/cber.19751081121
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