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  • Electronic Resource  (28)
  • Polymer and Materials Science  (19)
  • Organic Chemistry  (9)
  • 1
    Electronic Resource
    Electronic Resource
    A molecular dynamics study of thermodynamic and structural aspects of the hydration of cavities in proteins (1991)
    New York : Wiley-Blackwell
    Biopolymers 31 (1991), S. 919-931 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The structure and activity of a protein molecule are strongly influenced by the extent of hydration of its cavities. This is, in turn, related to the free energy change on transfer of a water molecule from bulk solvent into a cavity. Such free energy changes have been calculated for two cavities in a sulfate-binding protein. One of these cavities contains a crystallo graphically observed water molecule while the other does not. Thermodynamic integration and perturbation methods were used to calculate free energies of hydration for each of the cavities from molecular dynamics simulations of two separate events: the removal of a water molecule from pure water, and the introduction of a water molecule into each protein cavity. From the simulations for the pure water system, the excess chemical potential of water was computed to be -6.4 ± 0.4 kcal/mol, in accord with experiment and with other recent theoretical calculations. For the protein cavity containing an experimentally observed water molecule, the free energy change on hydrating it with one water molecule was calculated as -10.0 ± 1.3 kcal/mol, indicating the high probability that this cavity is occupied by a water molecule. By contrast, for the cavity in which no water molecules were experimentally observed, the free energy change on hydrating it with one water molecule was calculated as 0.2 ± 1.5 kcal/mol, indicating its low occupancy by water. The agreement of these results with experiment suggests that thermodynamic simulation methods may become useful for the prediction and analysis of internal hydration in proteins.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.360310802
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  • 2
    Electronic Resource
    Electronic Resource
    Design and Synthesis of Potent Macrocyclic Benzolactam Growth Hormone SecretagoguesDedicated to the Memory of Professor Wolfgang Oppolzer.2Deceased March 15, 1996. (1997)
    New York, NY : Wiley-Blackwell
    Helvetica Chimica Acta 80 (1997), S. 1244-1259 
    Details
    ISSN: 0018-019X
    Keywords: Chemistry ; Organic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The synthesis of a variety of potent macrocyclic growth hormone secretagogues, i.e. 5, 9, 12, and 20-22, based on the known lead structure L-692,429 (1) is described. These conformationally constrained growth hormone secretagogues were prepared by joining the two essential pharmacophores, the amino-acid side chain at the 1H-1-benzazepine moiety and the 1,1′-biphenyl moiety with a variety of linkers. The most potent analog was found to be L-744,080 (21), a derivative in which a 2′-carboxamide moiety at 1,1-biphenyl is N,O-joined to the OH group of the (2-hydroxypropyl)amino-acid side chain by a C4 ester linker. This potent analog may be useful in determining the bound conformation of the benzolactam class of growth hormone secretagogues at the newly identified GHS receptor, L-744,080 (21) with an ED50 of 20 nM was up to fifty times more potent than the seco-acid precursor and 3-fold more potent than the parent 2′-tetrazole compound L-692, 429 (1).
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/hlca.19970800421
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  • 3
    Electronic Resource
    Electronic Resource
    Structure and properties of p-carboxysuccinanilic polyester resins (1988)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 35 (1988), S. 75-83 
    Details
    ISSN: 0021-8995
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Polyester resins were prepared by the reaction of p-carboxysuccinanilic acid ethyl ester with ethylene glycol and 1,4-butenediol. Also, unsaturated polyester resins were prepared by the copolymerization of p-carboxysuccinanilic acid ethyl ester and maleic anhydride with ethylene glycol, 1,6-hexanediol, 1,4-butenediol, and 2-butyne-1,4-diol. All the polyester resins and the copolyesters have been characterized and were found to cure with styrene, except those prepared in the absence of maleic anhydride. The properties of the cured products in the form of films were determined. Infrared and nuclear magnetic resonance (NMR) spectroscopy were used for both qualitative and quantitative analyses of the polyester resins and their hydrolyzate products after curing with styrene.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1988.070350107
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  • 4
    Electronic Resource
    Electronic Resource
    Microanalysis of polymers using a windowless energy-dispersive X-ray detector (1988)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 26 (1988), S. 201-206 
    Details
    ISSN: 0887-624X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The surface compositions of various polymeric films, grown electrochemically on platinum foils, have been investigated by energy-dispersive x-ray analysis in conjunction with scanning electron microscopy (SEM/EDS). Comparison of the relative area ratios of peaks for the C and N Kemission lines show that the EDS may be used to study the surface composition of polymers. The evidence presented strongly suggests that there is limited structural degradation and the elemental composition is not changed under the electron beam at relatively low accelerating voltages. This technique statistically samples the repeat units of the polymer. For samples grown in both aqueous and nonaqueous solutions. SEM/EDS provides evidence for extensive contamination with oxygen.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pola.1988.080260120
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  • 5
    Electronic Resource
    Electronic Resource
    Thermal properties of some fully aromatic thermotropic liquid crystal polyesters (1990)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part A: Polymer Chemistry 28 (1990), S. 75-87 
    Details
    ISSN: 0887-624X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Wholly aromatic liquid crystalline main chain polyesters derived from terephthalic acid, phenyl- or (1-phenylethyl)hydroquinone modified with either 3,4′- or 4,4′-dicarboxydiphenylether and p-hydroxybenzoic acid, have been prepared by acidolysis and thermally investigated. All prepared polyesters exhibit excellent thermal stability up to about 400°C, however, the (1-phenylethyl)hydroquinone polyesters generally showed lower stability. Melting points could be decreased to around 200°C without any decrease in the thermal stability or the nematic range.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/pola.1990.080280106
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  • 6
    Electronic Resource
    Electronic Resource
    Abstract of the PhD thesis “Corrosion behaviour of stainless steels and nickel alloys in hot concentrated static and flowing sulphuric acid and flowing sulphuric acid” (1994)
    Weinheim [u.a.] : Wiley-Blackwell
    Materials and Corrosion/Werkstoffe und Korrosion 45 (1994), S. 206-206 
    Details
    ISSN: 0947-5117
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/maco.19940450317
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  • 7
    Electronic Resource
    Electronic Resource
    Lyotropic mesophases of cellulose in the ammonia/ammonium thiocyanate solvent system: Phase relationships (1992)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 30 (1992), S. 315-324 
    Details
    ISSN: 0887-6266
    Keywords: cellulose/NH3/NH4SCN system, lyotropic mesophases of ; phase equilibria in cellulose/NH3/NH4SCN system, mesophase occurrence in ; anisotropic and mesophase formation in cellulose/NH3/NH4SCN ; Solvent systems ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Mesophase formation of the cellulose/NH3/NH4SCN system has been studied as a function of system composition at 25°C. Compositions for incipience of mesophase formation and for wholly anisotropic phase formation have been determined and relevant phase diagrams constructed. The biphasic gap narrowed when the solvent composition approached 75.5 weight percent NH4SCN and as the cellulose concentration decreased. As solvent composition was changed, the minimum cellulose volume fraction for mesophase formation ranged between 0.02 to 0.045.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/polb.1992.090300401
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  • 8
    Electronic Resource
    Electronic Resource
    Direct observation of morphological differences as a function of reaction temperature in model systems for polyurethane foams (1998)
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 36 (1998), S. 3065-3077 
    Details
    ISSN: 0887-6266
    Keywords: polyurethanes ; AFM ; atomic force microscopy ; phase separation ; crosslinking ; Physics ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: A series of polyurea urethanes was isothermally synthesized from toluene diisocyanate (TDI), water, and trifunctional poly(propylene oxide) in the temperature range of 50-150°C. Morphologies of the samples vary significantly as a function of reaction temperature. In this system, phase separation competes with polymerization and crosslinking. Both transmission electron microscopy and atomic force microscopy have shown a network type of structure for the 50°C samples, while the 150°C samples appear to be homogeneous. Infrared analysis shows that samples prepared at 150°C possess a morphology that is less strongly hydrogen bonded and has a broader distribution of hydrogen-bonded states compared to those prepared at lower temperatures. From this combination of techniques, it can be inferred that phase separation occurs faster than crosslinking at low temperatures; consequently, a phase-separated morphology forms. In contrast, crosslinking occurs faster than phase separation at higher reaction temperatures. © 1998 John Wiley & Sons, Inc. J Polym Sci B: Polym Phys 36: 3065-3077, 1998
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    Professor Robert W. Taft (1994)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 7 (1994), S. 655-656 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610071202
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  • 10
    Electronic Resource
    Electronic Resource
    Hydrogen-bonding. Part 4. An analysis of solute hydrogen-bond basicity, in terms of complexation constants (log K), using F1 and F2 factors, the principal components of different kinds of basicityPart 3. M. H. Abraham, P. P. Duce, D. V. Prior, R. A. Schulz, J. J. Morris and P. J. Taylor, J. Chem. Soc. Faraday Trans. 1, 84, 865 (1988). (1989)
    Chichester : Wiley-Blackwell
    Journal of Physical Organic Chemistry 2 (1989), S. 243-254 
    Details
    ISSN: 0894-3230
    Keywords: Organic Chemistry ; Physical Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The principal components factors F1 and F2 in the equation \documentclass{article}\pagestyle{empty}\begin{document}$$ \log K = {\rm BDP}_0 + S_1 F_1 + S_2 F_2 $$\end{document} have been used to obtain S1 and S2 values for sets of hydrogen-bond bases against 32 reference acid/solvent systems. The constants S1 and S2 define an angle θ = tan-1 S2/S1 that is a measure of the electrostatic:covalent bonding ratio in the hydrogen-bond complex. It is shown that θ can vary from 53 (4-fluorophenol in CH2Cl2)to 86 degrees (Ph2NH in CCl4) depending on the reference acid and solvent. This variation in θ can lead to family dependent behaviour in plots of log K for bases against a given reference acid system vs log K for bases against another reference acid system, and precludes the construction of any general scale of hydrogen-bond basicity using log K values. Amongst a quite wide range of reference acid/solvent systems θ varies only from 64 to 73 degrees, and for bases against these reference systems a ‘reasonably general’ scale could be set up. Such a scale could be extended to bases against reference acid/solvent systems outside the 64-73 degree range provided that certain classes of base (e.g. pyridines, alkylamines) were excluded from the additional reference acid/solvent systems.
    Additional Material: 6 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/poc.610020307
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