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  • 1
    Electronic Resource
    Electronic Resource
    Locally oscillatory motion of RNA helix derived from linear relationships of backbone torsion angles (1984)
    New York : Wiley-Blackwell
    Biopolymers 23 (1984), S. 1169-1184 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A linear relationship in each of the torsion angle pairs, α-β, β-∊, ∊-ζ, and α-γ, has been found by applying a statistical method based on the concept of circular variates to backbone torsion angle data of helical in yeast tTNAPhe. A series of helical dimer models generated with these relationships have been found to be stereochemically acceptable, and the models also indicate that the backbone unit in the RNA helix is geometrically capable of an oscillatory motion with the distance of about 3.4 Å between adjacent bases. The motion of the backbone unit is analogous to that of a helical spring. The adjacent bases, because of being attached to the backbone, oscillate in a manner similar to the oscillatory dimer model proposed by Davis and Tinoco [Davis, R. C. & Tinoco, I., Jr. (1968) Biopolymers 6, 223-242]. Here, the oscillation of the backbone unit in the RNA helix is discussed in terms of two geometrical quantities: the torsion (τ) and curvature (κ) of the helix. On these lines, a stereochemical model of RNA strand separation is proposed.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.360230703
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  • 2
    Electronic Resource
    Electronic Resource
    “Ring currents” static hypersusceptibilities (1980)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 18 (1980), S. 117-124 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The Hückel-London theory has been applied to the calculation of the “ring currents” octopole hypersusceptibilities of a series of conjugated compounds. Our calculations have been performed using fourth-order Rayleigh-Schrödinger perturbation technique. This is believed to be the first calculation of this kind. It is found that the values of “ring currents” hypersusceptibilities of fulvene and azulene are larger, in absolute magnitude, than the values corresponding, respectively, to benzene and naphthalene. It is found that, in most cases, the “ring currents” hypersusceptibilities are diamagnetic (negative values) for aromatic molecules and paramagnetic (positive values) for pseudoaromatic or antiaromatic compounds.
    Additional Material: 1 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560180118
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  • 3
    Electronic Resource
    Electronic Resource
    Integrals Irs and Jrs used in the computation of magnetic quantities by means of the McWeeny coupled perturbation method (1983)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 23 (1983), S. 71-80 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We have shown that integrals Irs and Jrs which occur in coupled Hartree-Fock perturbation, on a basis of gauge invariant atomic orbitals with the London approximation and neglect differential overlap, can be reduced, by appropriate transformations, to the overlap integral type. The computational program of Srs, Irs, and Jrs integrals is elaborated for Slater-type atomic orbitals. The process proposed presents a double advantage: it is extended over the entire Periodical Table and does not use the analytical formulas of Mulliken.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560230108
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  • 4
    Electronic Resource
    Electronic Resource
    Thermodynamic studies on DNA-dye complexes (1980)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 181 (1980), S. 2175-2181 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The interaction between DNA and dyes such as acridine orange (1), proflavine (2), and 3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide (3) were studied by means of the heat of mixing and UV spectra. From the results obtained, the thermodynamic quantities of DNA-dye complexes were estimated. It is concluded that the intercalation process forms a more stable binding than the stacking process does. Further, in each process, ΔG of DNA-2 and DNA-3 systems is nearly equal to that of the DNA-1 system, but their  -  ΔH and  -  ΔS values are higher than those of the DNA-1 system. The stability of binding in DNA-2 and DNA-3 systems may be governed largely by ΔH, while in the DNA-1 system ΔS may contribute largely to the stability of binding.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1980.021811014
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  • 5
    Electronic Resource
    Electronic Resource
    Thermodynamic studies on poly(a) · poly(u) duplex-dye systems (1981)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 182 (1981), S. 2837-2843 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The interaction between poly(A) · poly(U) duplex and dyes (proflavine (PF) and 9-aminoacridine (9-AA)) was studied by means of the heat of mixing. From the results, thermodynamic quantities of poly(A) · poly(U) duplex-dye systems for the intercalation process were estimated. The free energy change for the poly(A) · poly(U) duplex-(PF) system is smaller than that for the poly(A) · poly(U) duplex-(9-AA) system, indicating that PF intercalated into poly(A) · poly(U) duplex is more stable than the intercalated 9-AA. This conclusion is based on the absolute value of the heat of interaction between PF and poly(A) · poly(U) duplex being larger than that between 9-AA and the poly(A) · poly(U) duplex.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1981.021821028
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  • 6
    Electronic Resource
    Electronic Resource
    Interaction between polynucleotides in aqueous NaCl solution, 4Part 3: cf.5. Poly(riboadenylic acid)  -  poly(2-riboinosinic acid) system (1982)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 183 (1982), S. 389-398 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: Solution properties of poly(A) and poly(I) solution at a mole ratio of poly(A) to poly(I) of 1/2 were studied by means of calorimetry and a modified differential scanning calorimetry (DSC) with the help of circular dichroism (CD) and ultraviolet (UV) spectral methods. It was found that the heat of mixing, ΔHM, depends sharply on the ionic strength. At [NaCl] 〈 10-2 mol · dm-3 ΔHM is nearly zero. At higher ionic strength ΔHM decreases and reaches a minimum value at [NaCl] ≍ 2 · 10-2 mol - dm-3. Above this ionic strength ΔHM increases again. This behavior is explained on the basis of the formation of a triplex poly(A) · poly(2I) and the transition of poly(I) from a disordered to an ordered structure with increasing ionic strength. The heat of formation, ΔH, of the poly(A) · poly(21) triplex was estimated to be ca -41 kJ per mole of base triplet. Above an NaCl concentration of 2 · 10-1 mol · dm-3 the triplex formation may be represented by the following scheme: \documentclass{article}\pagestyle{empty}\begin{document} $$\begin{array}{*{20}c} {{\rm Poly}({\rm A}) + 2{\rm poly}({\rm I})\ ({\rm order})} \hfill \\ {{2\Delta {\rm H}_{\rm t}\atop{-\hskip-1.5pt-\hskip-1.5pt\longrightarrow}} \quad {\rm poly}({\rm A}) + 2{\rm poly}({\rm I})\ ({\rm disorder})} \hfill \\ {{\Delta {\rm H}\atop{-\hskip-1.5pt-\hskip-1.5pt\longrightarrow}} \quad {\rm poly}({\rm A}) \cdot {\rm poly}(2{\rm I}){\rm\ triplex}} \hfill \\ \end{array}$$\end{document}
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1982.021830210
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  • 7
    Electronic Resource
    Electronic Resource
    Plastic analysis of torsion of a prismatic beam (1982)
    Chichester [u.a.] : Wiley-Blackwell
    International Journal for Numerical Methods in Engineering 18 (1982), S. 927-944 
    Details
    ISSN: 0029-5981
    Keywords: Engineering ; Engineering General
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Mathematics , Technology
    Notes: Finite element formulation for stress analysis of a twisting beam is developed. The formulation is effective for a prismatic beam with solid section as well as a thin-walled beam, and can be applied both to a pure-torsion problem and a warping-torsion problem. The formulation is of a great advantage to an elastic-plastic torsion problem. The formulation does not stand on the assumption of a thin-walled structure, and therefore torsional rigidity of the section can be evaluated exactly without using the so-called Saint-Venant's torsional constant. Torsional rigidity is, in this paper, evaluated directly by a warping function of the section. Warping function is evaluated numerically due to shape of the section, due to progress of plastic region and due to effect of finite displacement (finite rotation, small strain). Pure-torsion and warping-torsion of a rectangular beam and an H-beam, which have an elastic-plastic material property, are analysed, and the extension to the finite displacement problem is discussed. Many numerical examples are provided in order to check the accuracy of the formulation.
    Additional Material: 10 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/nme.1620180609
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  • 8
    Electronic Resource
    Electronic Resource
    Thermodynamic studies of DNA-dye complexes, 2Part 1: cf.7.. DNA-methylene blue and DNA-thionine systems (1981)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 182 (1981), S. 1475-1480 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The interaction between DNA and various dyes (methylene blue (1), and thionine (2)) was studied by means of the heat of mixing. From the results, the thermodynamic quantities were estimated for the DNA-dye system by an intercalation process. The free energy change of the system DNA-2 was found to be nearly equal to that of the system DNA-1, but the absolute value of the heat of interaction of the system DNA-2, which has amino groups, is higher than that of the system DNA-1. These facts are comparable with those previously found for the systems DNA-proflavine and DNA-acridine orange. However, the locations of 1 and 2 intercalated into DNA may be different from those of acridine orange and proflavine because the enthalpy changes for the systems DNA-1 and DNA-2 are higher than those of the systems DNA-acridine orange and DNA-proflavine, respectively. These facts showed that the location of the intercalated dye depends on the presence of amino groups in 3-position of the dye.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1981.021820519
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  • 9
    Electronic Resource
    Electronic Resource
    Interaction between polynucleotides in aqueous NaCl solution, 5Part 4: cf. 6.. Temperature dependence of the heat of formation of poly(I) · poly(C) duplex (1983)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 184 (1983), S. 2529-2538 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The heat of mixing of equimolar solutions of poly(I) and poly(C) containing various NaCl concentrations was measured at 288 and 308 K, and the heat of formation of Poly(I) · poly(C) duplex from the randomly coiled constituents, poly(I) and poly(C), was estimated from the heat of mixing with the aid of CD measurements. The temperature dependence of this heat of formation, ΔH, differs at lower and higher NaCl concentrations: In the region of NaCl concentration less than 0,5 mol · dm-3, ΔH increases with temperature, while in the region of NaCl concentrations higher than 0,5 mol · dm-3, ΔH decreases with temperature. The free energy change, ΔG, of the formation of poly(I) · poly(C) duplex decreases as the NaCl concentration increases, that is, the stability of poly(I) · poly(C) duplex increases with NaCl concentration. Moreover, the conformation of poly(I) · poly(C) duplex seems to differ at lower and higher NaCl concentration as derived from the CD spectra and the thermodynamic quantities.
    Additional Material: 7 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1983.021841213
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  • 10
    Electronic Resource
    Electronic Resource
    The heats of dilution of poly(1-vinyl-2-pyrrolidone)/alcohol systems (1981)
    New York : Wiley-Blackwell
    Die Makromolekulare Chemie 182 (1981), S. 2495-2503 
    Details
    ISSN: 0025-116X
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: In order to obtain information about the heat interaction parameter between poly(1-vinyl-2-pyrrolidone) (PVP) and alcohols, a flow microcalorimeter equipped with a new type of pump was constructed, and heats of dilution of PVP in alcohol solutions were measured using this microcalorimeter at 298,15 ± 0,001 K. The heat interaction parameter depends considerably on the concentration of the polymer and the chain length of the alcohols.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/macp.1981.021820912
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