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  • 1
    Electronic Resource
    Electronic Resource
    Role of the arginine-rich histones in the maintenance of DNA conformation in chromatin (1974)
    s.l. : American Chemical Society
    Biochemistry 13 (1974), S. 5087-5092 
    Details
    ISSN: 1520-4995
    Source: ACS Legacy Archives
    Topics: Biology , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/bi00722a005
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Origins of the differences between the circular dichroism of DNA and RNA: Theoretical calculations (1973)
    New York : Wiley-Blackwell
    Biopolymers 12 (1973), S. 201-221 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Theoretical calculations of the circular dichroism of double-helical DNA and RNA by the method of Johnson and Tinoco were performed in order to investigate the origins of the optical activity spectral differences between these polynucleotides. Calculations were performed using transition moment directions arising from molecular orbital calculations as well as a transition moment directions in agreement with experimental directions. The results of these calculations indicate that the conservative circular dichroism spectrum of B-form DNA and the nonconservative spectrum of RNA (and A-form DNA) arise as a consequence of the distance between the paired bases and the helix axis. The negative nonconservative spectrum of C-form DNA was calculated and shown also to result from the distance of the paired bases from the helix axis. Several other conspicuous geometric parameters of DNA and RNA were investigated and were found to be less significant in their effects upon the spectral differences. Theoretical calculations on a four-stranded DNA model which has paired bases similarly related to the helix axis as RNA and A-form DNA was found to yield a low intensity, nonconservative circular dichroism spectrum.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1973.360120119
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Circular dichroism of nucleic acid monomers. II. Derivation and application to polymers of a consistent set of guanine and cytosine transition parameters (1983)
    New York : Wiley-Blackwell
    Biopolymers 22 (1983), S. 755-786 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An approximate semiempirical procedure has been developed in order to derive nucleic acid monomer π → π* electronic transition moment parameters. Using the approximate procedure, guanine (G) and cytosine (C) transition moment parameters have been derived from agreement found between calculated weight-averaged and measured CD spectra of cyclic-GMP and cyclic-CMP. The derived base transition moment parameters have been assessed in CD spectral calculations on some G- and C-containing nucleic acids for which reasonably good structural information exists. An attempt was also made at evaluating the likely CD spectral contributions of G and C electric n → π* transition moments whose magnitudes were taken to be the maximum expected. Overall, the results indicate that the derived G and C π → π* transition moment parameters are more successful in nucleic acid CD spectral calculations than those used in previous DeVoe theory CD calculations. In addition, the results indicate that electric n → π* transitions may be of importance in understanding nucleic acid monomer CD spectra but appear to be relatively unimportant in understanding nucleic acid polymer CD spectra. It is concluded that the derived G and C π → π* parameters are more useful in DeVoe theory CD calculations than parameters used previously.
    Additional Material: 16 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.360220214
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    Paper (German National Licenses)
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  • 4
    Electronic Resource
    Electronic Resource
    CD of nucleic acids: III. Calculated CD of RNAs from new A, U, G, and C transition-moment parameters (1986)
    New York : Wiley-Blackwell
    Biopolymers 25 (1986), S. 1461-1491 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: New adenine (A) and uracil (U) π → π* transition-moment parameters have been derived from a recently developed semiempirical procedure. Using conformational energy probabilities based on the Boltzmann equation, the new parameters were assigned by optimizing the calculated CD of cyclic nucleotides against measured CD. The derived A-and U-parameters (along with guanine and cytosine parameters derived previously by the same procedure) have been assessed in CD spectral calculations of some polyribonucleic acid sequences, in assumed A-class geometries. Comparisons have been made between CD spectra calculated from the newly derived parameters and those calculated from parameters obtained from a combination of crystal optical measurements and quantum-mechanical calculations. Although some spectral differences do occur, for the RNA sequences considered, no major disagreements were found in CD spectral signs and shapes, between measurements and calculations. Overall, the results indicate that the newly derived A-, U-, G-, and C-parameters show better agreement between theory and experiment than those used in previous nucleic acid CD calculations.
    Additional Material: 14 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.360250807
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    Paper (German National Licenses)
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  • 5
    Electronic Resource
    Electronic Resource
    Circular dichroism of nucleic acid monomers. II. Derivation and application to polymers of a consistent set of guanine and cytosine transition parameters (1983)
    New York : Wiley-Blackwell
    Biopolymers 22 (1983), S. 2155-2155 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.360220913
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    Paper (German National Licenses)
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  • 6
    Electronic Resource
    Electronic Resource
    Double-helical DNA and RNA circular dichroism. Calculations on base-sugar-phosphate helix interactions (1974)
    New York : Wiley-Blackwell
    Biopolymers 13 (1974), S. 977-986 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Theoretical calculations of the near ultraviolet (uv) circular dichroism of double-helical DNA and RNA models were performed in order to evaluate the effects, on the calculated circular dichroism, of including the interactions of near uv quantum transitions of the nucleic acid bases with classical polarizable bonds of the sugar-phosphate backbone. Double-helical models (A-form, B-form, and C-form DNA and RNA-11) from X-ray diffraction data were used in the calculations. The results indicate that the contributions to the circular dichroism in the near uv region, of these types of interactions, provide calculated spectra that are slightly altered from calculated spectra when only base-base transition interactions were considered.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1974.360130512
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    Paper (German National Licenses)
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  • 7
    Electronic Resource
    Electronic Resource
    Circular dichroism of nucleic acid monomers. I. Calculated adenosine and 2′-deoxyadenosine CD spectra (1980)
    New York : Wiley-Blackwell
    Biopolymers 19 (1980), S. 1017-1038 
    Details
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: A combination of the DeVoe and Kirkwood polarizability concepts is developed to calculate CD spectra of nucleic acid monomers. The method is perfectly general and applies to any system where the constituents have absorption properties which are widely separated in terms of frequency. The theory is applied to calculate the CD spectra of adenosine and 2′-deoxyadenosine conformers. Bond polarizabilities are evaluated for the ribosyl moiety of adenosine, as a function of glycosidic rotational angles and polarizability anisotropies. It is found that a wide range of C-C and C-O bond polarizabilities give similar CD results. Isotropic atom polarizabilities are also evaluated. It is found that the CD results using these polarizabilities do not differ significantly from those obtained with bond polarizabilities. The CD spectra of adenosine and 2′-deoxyadenosine are calculated for three x-ray diffraction determined geometries: A-form RNA, B-form DNA, and C-form DNA. The results indicate that the monomer CD spectra are strongly dependent on the precise geometry and appear to be of importance in understanding the spectra of oligomers and polymers. The deoxyadenosine conformers are found to have calculated CD spectra which are less intense than those of the ribosyl conformers. These results indicate that the measured differences between the CD magnitudes of ribo- and deoxyriboadenosine are due to the presence or absence of the 2′-hydroxyl. Weighted averaged adenosine CD spectra are calculated with the aid of probability distributions from conformational energy calculations. The results suggest a new method for obtaining empirical monomer parameters for use in optical calculations. The calculations in this paper indicate for the first time that DeVoe theory, in combination with the Kirkwood theory, provides a useful method for the calculation of the CD spectra of nonpolymeric molecules.
    Additional Material: 12 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/bip.1980.360190507
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    Paper (German National Licenses)
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