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  • Polymer and Materials Science  (69)
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  • 1
    Electronic Resource
    Electronic Resource
    The electrostatic potential of B-DNA (1989)
    New York : Wiley-Blackwell
    Biopolymers 28 (1989), S. 975-993 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Electrostatic potentials around DNA are obtained by solving the nonlinear Poisson-Boltzmann (PB) equation. The detailed charge distribution of the DNA and the different polarizabilities of the macromolecule and solvent are included explicitly in the calculations. The PB equation is solved using extensions of a finite difference approach applied previously to proteins. Electrical potentials and ion concentrations are compared to those obtained with simpler models. It is found that the shape of the dielectric boundary between the macromolecule and solvent has significant effects on the calculated potentials near the surface, particularly in the grooves. Sequence-specific patterns are found, the most surprising result being the existence of positive regions of potential near the bases in both the major and minor grooves. The effect of solvent and ionic atmosphere screening of phosphate-phosphate repulsions is studied, and an effective dielectric function, appropriate for molecular mechanics simulations, is derived.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.360280506
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  • 2
    Electronic Resource
    Electronic Resource
    Conformational analysis and molecular dynamics simulation of α-(1 → 2) and α-(1 → 3) linked rhamnose oligosaccharides: Reconciliation with optical rotation and NMR experiments (1997)
    New York : Wiley-Blackwell
    Biopolymers 41 (1997), S. 83-96 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Molecular mechanics and dynamics calculations were carried out on the disaccharides α-L-Rhap-(1 → 2)-α-L-Rhap-(1 → OMe) (1) and α-L-Rhap-(1 → 3)-α-L-Rhap-(1 OMe) (2), and the trisaccharide α-L-Rhap-(1 → 2)-α-L-Rhap-(1 → 3)-α-L-Rhap-(1 → OMe) (3). The semiflexible conformational behavior of these molecules was characterized by the occupation of a combination of different glycosidic linkage and side-chain conformational positions whose relative occupations were sensitive to dielectric screening. Molecular dynamics simulations of the trisaccharide 3 showed little difference between the linkage conformations in the trisaccharide and the component disaccharides 1 and 2.Experimental optical rotation data of 1 and 2 were obtained as a function of temperature in varying solvents. The molecular models were combined with the semiempirical theory of Stevens and Sathyanarayana to yield calculated optical rotations. Interpretation of the data of both 1 and 2 implied that a combination of conformations, both in glycosidic and side-chain positions, could explain the experimental data. Solvents effects were important in influencing the conformational mix and averaged optical rotation.Three-bond heteronuclear coupling constants 3JC, H were obtained for the glycosidic linkages of 1 and 2 in D2O and DMSO. Analysis of the coupling constants with a Karplus curve showed that small reductions in the glycosidic torsion angles of the conformations of the models used here of ca. 10°-15° in φ and 5°-10° in ψ were required to give better agreement with experiment; a combination of conformations for both 1 and 2 was consistent with the data. There was a negligible influence on the coupling constants of 1 on changing the solvent from D2O to DMSO. © 1997 John Wiley & Sons, Inc.
    Additional Material: 9 Ill.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Molecular weight and shape of phycocyanin monomer and aggregates (1969)
    New York : Wiley-Blackwell
    Biopolymers 8 (1969), S. 297-299 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1969.360080215
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  • 4
    Electronic Resource
    Electronic Resource
    Equilibrium studies on neutral red-DNA bindingA preliminary account of this work was presented in September, 1974, at the 168th National ACS Meeting in Atlantic City, New Jersey. (1975)
    New York : Wiley-Blackwell
    Biopolymers 14 (1975), S. 825-837 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Spectrophotometric binding studies were undertaken on the interaction of neutral red with native and heat-denatured, sonicated, calf thymus DNA in a 0.2M ionic strength buffer containing Tris-sodium acetate-potassium chloride at 25°C. The pKA of neutral red was found to be 6.81. At pH 5 the binding of protonated neutral red was complicated even at low concentration ratios of dye to DNA. In the pH range 7.5-8.5 the tight binding process could be studied and it was found that both protonated and free base species of neutral red significantly bind with DNA having association constants (in terms of polynucleotide phosphate) of 5.99 × 103 M-1 and 0.136 × 103 M-1, respectively, for native DNA and 7.48 × 103 M-1 and 0.938 × 103 M-1, respectively, for denatured DNA. The pKA value of the neutral red-DNA complexes were 8.46 for native DNA and 7.72 for denatured DNA. These results are discussed in terms of possible binding mechanisms.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1975.360140411
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  • 5
    Electronic Resource
    Electronic Resource
    Lysinonorleucine cross-link formation in alpha amino heptenoic acid-substituted peptide derivatives (1978)
    New York : Wiley-Blackwell
    Biopolymers 17 (1978), S. 1119-1127 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Studies on the cross-linking of a tripeptide (t-butyloxycarbonyl-L-alanyl-D,L-2-amino-6-heptenoyl-L-alanine methyl ester) have shown that it is possible to form specific cross-links in good yields through Schiff base formation of the ε amino group of lysine. The heptenoic acid residue has been ozonized to an aldehyde and condensed with the ε amino of lysine in the compounds alpha-t-butyloxycarbonyl-L-alanyl-L-lysine methyl ester and alpha-t-butyloxycarbonyl-L-lysine methyl ester to form the cross-link, lysinonorleucine. This compound has been stabilized by reduction with sodium borohydride and quantitated on the amino acid analyzer. This technique converts from 60 to 98% of the available aldehyde to lysinonorleucine.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1978.360170503
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  • 6
    Electronic Resource
    Electronic Resource
    The dielectric constant of a folded protein (1986)
    New York : Wiley-Blackwell
    Biopolymers 25 (1986), S. 2097-2119 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The goal of this paper is to obtain a theoretical estimate of the dielectric constant of a folded protein. To this end, we develop a form of the Kirkwood-Fröhlich dielectric theory that applies to polar solids and folded proteins. The resulting theory incorporates a factor expressing the degree to which dipolar groups are constrained within the material's structure, as well as a generalized form of Kirkwood's correlation factor. The theory is applied to a hypothetical isotropic protein composed of randomly oriented α-helices and having a number density of dipolar groups equal to that found in actual proteins. The factor of constraint and the generalized dipole correlation factor are calculated using normal mode analysis. Temperature factors are also computed by normal mode analysis and are in reasonable agreement with those found experimentally. The computed dielectric constant is low; the best estimate is that it falls between 2.5 and 4.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.360251106
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  • 7
    Electronic Resource
    Electronic Resource
    A comparative electric birefringence study of hydroxyethyl cellulose and other cellulose derivatives in water (1977)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 178 (1977), S. 505-512 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Both the amplitude of the electric birefringence and the rotary relaxation time have been measured for each of six samples of hydroxyethyl cellulose in water in the molecular weight range 3.104 to 6.105. Both these electrical and hydrodynamical properties have been considered in terms of a number of conformation models including the rigid rod, the weakly bending rod, the worm-like coil, and the freely jointed chain. At sufficiently low molecular weight, rigid rod behaviour is indicated. This changes to a very flexible rod at higher molecular weights. In addition, a ratio of the electrical parameters as for an equivalent rod to the equivalent rod length indicates an important characteristic factor for these molecules which is a sensitive indicator of molecular flexibility. This is illustrated by comparing the data with similar results for other members of the cellulose family namely, amylose, methyl cellulose, and sodium carboxymethyl cellulose.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1977.021780221
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  • 8
    Electronic Resource
    Electronic Resource
    Recent advances in NMR techniques for the study of synthetic polymers (1981)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 4 (1981), S. 117-127 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The value to polymer chemistry of certain recent developments in NMR is discussed. The techniques in question are: (i) high-field operation, (ii) multinuclear studies, and (iii) the dipolar decoupling/cross-polarization/magic angle rotation experiments on solids. Examples of polymer spectra obtained by these methods are given.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1981.020041981109
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  • 9
    Electronic Resource
    Electronic Resource
    Synthesis and characterization of isomeric biphenyl-containing poly(aryl ether bisketone)s, 3Parts 1 and 2: cf. refs.1,2.. Polymers derived from 3,4′-bis(4-fluorobenzoyl)biphenyl and bisphenols (1993)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 194 (1993), S. 1935-1951 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: A series of high-molecular-weight amorphous and semicrystalline poly(aryl ether bisketone)s were prepared from bisphenols and 3,4′-bis(4-fluorobenzoyl)biphenyl via nucleophilic aromatic substitution reactions. Model compound studies were carried out with several substituted monohydric phenols, 3,4′-bis(4-fluorobenzoyl)biphenyl and 3,4′-bis(4-Chlorobenzoyl)biphenyl. The dihalo-substituted aromatic ketones were synthesized by the reaction of 3,4′-biphenyldicarboxylic acid with thionyl chloride, followed by Friedel-Crafts acylation with the appropriate aryl halide. The required dicarboxylic acid was prepared starting from 4-bromotoluene and 3-methylcyclohexanone. Potassium carbonate mediated reaction of the monomers in dimethylacetamide or diphenyl sulfone gave high-molecular-weight polymers in excellent yield. The glass transition temperatures of the polymers are in the 170 to 190°C range. In addition, the polymers exhibit excellent thermal stability, as evidenced by both dynamic and isothermal thermogravimetric analysis, and afford tough films by compression molding.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1993.021940708
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  • 10
    Electronic Resource
    Electronic Resource
    Methyl methacrylate copolymer-SAN miscibility (1985)
    New York, NY [u.a.] : Wiley-Blackwell
    Journal of Applied Polymer Science 30 (1985), S. 4193-4196 
    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
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/app.1985.070301020
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