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  • 1
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Angewandte Makromolekulare Chemie 235 (1996), S. 35-45 
    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: Ein Phenolharz-Polyurethan-Copolymeres wurde aus einem Phenolharz, einem geschützten Polyurethan und p-Toluolsulfonsäure hergestellt. Dieses Copolymere weist trotz großer Härte eine gute Verarbeitbarkeit (einschließlich Topfzeit und Reaktivität) auf. Die Synthese des Copolymeren wurde mit IR-Spektroskopie verfolgt. Es wurde gefunden, daß die Isocyanatgruppe des Polyurethans nach Abspaltung der Schutzgruppe mit der Hydroxygruppe des Phenolharzes reagierte. Glasfaserverstärkte Verbundwerkstoffe offenbarten bei SEM-Untersuchungen eine hervorragende Verbindung zwischen Faser und Matrix. Ein Überlappungspeak im DMA-Diagram wies auf Wechselwirkungen zwischen Phenolharz und Polyurethan hin, die die Härte des Phenolharzes verbessern.
    Notes: A phenolic resin/polyurethane copolymer was synthesized by reaction of a phenolic resin, a blocked-polyurethane and p-toluene sulfonic acid. The copolymer provides a good balance between the processability (including pot life, reactivity) and toughness. The reactions that proceeded during the synthesis of the copolymer was investigated by IR spectroscopy. It was found that blocked polyurethane reacted with the hydroxy group of the phenolic resin. Glass fiber-reinforced composites showed excellent bonding between fiber and matrix as revealed by SEM photographs. An overlap peak was found from the DMA diagram; it indicated that an interaction existed between phenolic resin and polyurethane and that improved the toughness of the phenolic resin.
    Additional Material: 7 Ill.
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  • 2
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 67 (1998), S. 287-297 
    ISSN: 0020-7608
    Keywords: valence bond theory ; symmetric group approach ; paired-permanent-determinant ; ab initio ; nonorthogonal ; Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A new algorithm for nonorthogonal valence bond (VB) method is presented by using symmetric group approach. In the present algorithm, a new function, called paired-permanent-determinant (PPD), is defined, which is an algebrant and has the same symmetry of a corresponding VB structure. The evaluation of a PPD is carried out by using a recursion formula similar to the Laplace expansion method for determinants. An overlap matrix element in the spin-free VB method may be obtained by evaluating a corresponding PPD, while the Hamiltonian matrix element is expressed in terms of the products of electronic integrals and sub-PPDs. In the present work, some important properties of PPDs are discussed, and the primary procedure for the evaluation of PPD is deduced. Furthermore, the expressions for evaluating both the overlap and Hamiltonian matrix elements are also given in details, which are essential to develop an efficient algorithm for nonorthogonal VB calculations. In the present study, some further effective technical considerations will be adopted, and a new ab initio VB program will be introduced.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 67: 287-297, 1998
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  • 3
    ISSN: 0030-493X
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The fast atom bombardment (FAB) mass spectra and low-energy collisional activation mass spectra of ions generated under FAB were investigated for twelve bisbenzylisoquinoline (BBI) alkaloids. The relative molecular mass of the free base and diquaternary BBI alkaloids can be obtained from FAB data. However, monoquaternary ammonium salts produce only an [M  -  X]+ ion and the relative molecular mass cannot be determined. For Type A (single ether linkage) BBI alkaloids, fragmentation occurs primarily from benzylic and ether cleavages. Thus, the total number of aromatic substituents (OH, OCH3 or OCH2O) can be determined for rings A-B, C-D, E and F. For Type B (two either linkages) BBI alkaloids, fragmentation occurs primarily from double benzylic cleavages. Hence only the total number of aromatic substituents can be determined for the upper half of the Type B BBI alkaloids, i.e. rings A-B and C-D. An unknown alkaloid was examined to illustrate the utility of the fragmentation schemes.
    Additional Material: 4 Ill.
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  • 4
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Biospectroscopy 1 (1995), S. 149-156 
    ISSN: 1075-4261
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Biology , Physics
    Notes: A series of copper bilirubinate complexes (CuBR) was synthesized in solution and in solid state to mimic the black color of the black-pigment gallstone and to explore the formation mechanism of the gallstonein vitro. The variation of the copper contents of these samples indicated that CuBR also exhibits nonstoichiometric characteristics from the FTIR study, i.e., both the so-called acid and neutral copper complex moieties exist in CuBR. The NH groups in pyrrole and lactam groups of bilirubin (H2BR) are binding to the copper ions. An EPR study demonstrates the generation of free radicals and the variation of its electronic structure and conjugation system in the skeleton of H2BR molecule during complex formation. A polymer of CuBR may form through the reaction of H2BR with copper ions. © 1995 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
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  • 5
    Electronic Resource
    Electronic Resource
    Stamford, Conn. [u.a.] : Wiley-Blackwell
    Polymer Engineering and Science 35 (1995), S. 1272-1281 
    ISSN: 0032-3888
    Keywords: Chemistry ; Chemical Engineering
    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: In the present study of resin transfer molding, an effective gap located between the side wall and the fiber mats is proposed. The concept of the effective gap leads to a permeable boundary condition on the interface between the fiber mats and the side wall. The porosity is no longer assumed to be a constant in the whole domain. Results show that the effective gap concept can explain the phenomena of edge effects reasonably. In our model, the filling process is simulated by the body-fitted finite element method and the limitation of the time increment for the quasi-steady state process is discussed in detail.
    Additional Material: 12 Ill.
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  • 6
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Biopolymers 42 (1997), S. 633-644 
    ISSN: 0006-3525
    Keywords: solvent-referenced potential ; multiple minima problem ; single-residue substitution ; helical ratio ; capping effect ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Molecular dynamics simulations were applied to helix folding of alanine-based synthetic peptides. A single alanine residue in the middle of the peptide was substituted with various nonpolar amino acids (leucine, isoleucine, valine, glycine or proline) to study the effect of the substitution. Unlike many other molecular dynamics simulations, nonhelical initial conformations were used in our simulations to study the folding process. An average solvent effect was included in the energy function to simplify the solvent calculation and to overcome the multiple minima problem. During the simulations, the peptides folded into helices in nanoseconds. Compact structures containing two helical segments were also observed. The calculated helical ratios of the peptides showed the same rank order as observed experimentally for the alanine-based peptides. Within a peptide, the helical ratio of each residue was calculated and a minimum was found near the center of the sequence for all peptides. The substitutions had different asymmetric effects on the helical ratios of the residues preceding and following the substitution site, indicating different helix capping preferences of the substituting amino acids. © 1997 John Wiley & Sons, Inc. Biopoly 42: 633-644, 1997
    Additional Material: 4 Ill.
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  • 7
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 47 (1993), S. 1881-1895 
    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: The modifications of macromolecular entanglements in polyacrylonitrile copolymer fibers by heat setting in different mediums such as steam, hot air, and inert liquid are reported. The effects of applied tension, frozen internal stress, temperature, time, medium, crystallization, etc., during heat setting on the modification of entanglements are investigated in detail. These experimental results elucidate clearly the mechanism of entanglement and disentanglement and confirm fully the DSC method of swelling polymers for studying entanglement in solid polymer, as was previously published in Part I of this paper. © 1993 John Wiley & Sons, Inc.
    Additional Material: 9 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 52 (1994), S. 1165-1173 
    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: Red#170 (pigment) polyurea microcapsules have been successfully prepared at our laboratory. Both core and shell of these microcapsules are demonstrated to be red#170 pigment and polyurea, respectively, by infrared (IR) spectra. The number-average particle sizes of these microcapsules are seen to decrease with increasing concentration and the ethylene oxide chain length of nonylphenylpolyoxyethylene ether (NPn; n = 6, 8, 10, 12, 16) as an emulsifier in the water phase used for making microcapsules. Experimental results indicate that the average particle sizes of red#170 polyurea microcapsules are smaller for the system with NP16 than for the system with NP4 (in the oil phase) and/or NP16 (in the water phase) and that, in the presence of NPn, these particle sizes are seen to be slightly smaller for use of methylcellulose than for use of sodium carboxymethylcellulose as a protective colloid. It is also interesting to note that the released amounts of red#170 pigment from polyurea microcapsules in di-n-butylphthalate solvent is lower for a system with NP16 than for a system with methylcellulose, as a result of good emulsification leading to decrease the interaction between toluene diisocyanate and water molecules. This may further cause more crosslinkage to take place at the urea groups, resulting in a decrease in the porosity of the capsules. © 1994 John Wiley & Sons, Inc.
    Additional Material: 12 Ill.
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  • 9
    Electronic Resource
    Electronic Resource
    Bognor Regis [u.a.] : Wiley-Blackwell
    Journal of Polymer Science Part B: Polymer Physics 34 (1996), S. 221-227 
    ISSN: 0887-6266
    Keywords: trichosanthin ; aggregation ; laser light scattering ; Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: As a kind of cytotoxin extracted from the root tuber of Trichosanthes kirilowii Maxim (Cucurbitaceae), trichosanthin can selectively bind to and kill the placental trophoblastic cells, which leads to a number of biomedical applications including the inhibition of trophoblastic tumors. However, the stability of trichosanthin in living organism is still one of the problems hindering the effectiveness of its applications. In this study, laser light scattering has been used successfully to investigate the stability of trichosanthin in both deionized water and KSCN aqueous solution in terms of the hydrodynamic size distribution of the trichosanthin aggregates as a function of both time and the salt concentration. It is found that the size distribution is always a bimodal one. One peak corresponds to a single trichosanthin chain; the other corresponds to the trichosanthin aggregates, which have an average hydrodynamic radius of ∼ 49 nm and are composed of ∼ 127 trichosanthin molecules when CKSCN is higher than 0.5 mol/L. This implies that there exists an equilibrium between the single trichosanthin chain and its aggregates [i.e., nT ⇄ (T)n]. Our results also suggest that the aggregates are made of the loosely packed trichosanthin molecules and behave as flexible polymer chains in θ solvent. © 1996 John Wiley & Sons, Inc.
    Additional Material: 8 Ill.
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  • 10
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Macromolecular Chemistry and Physics 197 (1996), S. 3191-3197 
    ISSN: 1022-1352
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The miscibility of blends of phenoxy polymer 1 from bisphenol A and epichlorohydrin and polyacrylates is studied using differential scanning calorimetry (DSC) and Fouriertransform infrared (FTIR) spectroscopy. The DSC curves show that poly(alkyl acrylate)s are immiscible with phenoxy. IR spectra show that there exists weak hydrogen-bonding interaction between poly(methyl acrylate) and phenoxy. The miscibility behavior of various phenoxy/polyacrylate blends cannot be satisfactorily explained by a non-hydrogenbonded solubility parameter approach. It can be better explained by the polar and nonpolar solubility parameter approach.
    Additional Material: 5 Ill.
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