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  • Chemistry  (132)
  • Polymer and Materials Science  (68)
  • Inorganic Chemistry  (14)
  • Organic Chemistry  (13)
  • Atomic, Molecular and Optical Physics  (5)
  • 25.70.Cd  (3)
  • Magnetism
  • 1990-1994  (140)
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Keywords
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Year
  • 1
    Electronic Resource
    Electronic Resource
    Weinheim : Wiley-Blackwell
    Chemie in unserer Zeit 25 (1991), S. viii 
    ISSN: 0009-2851
    Keywords: Chemistry ; Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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  • 2
    ISSN: 1434-601X
    Keywords: 24.10.-i ; 24.10.Eq ; 24.20.Ht ; 25.70.Cd
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract Elastic, inelastic scattering as well as one-neutron transfer channels have been measured over a wide angular range for systems16O+16O at the incident energy of 350 MeV and20Ne+12C at 390 MeV, respectively, using the Q3D magnetic spectrometer. In both cases differential cross sections have been measured down to about 50 nb/sr (or dσ/dσ R≤10−4) at large angles. For the16O+16O system refractive contributions are found at the level of these cross sections, whereas in the20Ne+12C case a steeper decrease of the differential cross section with the angle is observed and the refractive contribution can not be determined. The elastic scattering data have been analyzed using standard Woods-Saxon potentials and potentials calculated in different versions of the double-folding model. Some properties of these potentials are tested in the calculations for inelastic scattering and one-neutron transfer within the DWBA. With the refractive pattern observed for the16O+16O system, the scattering and transfer data are found to be sensitive to the interaction potential at small internuclear distances down to about 2.5 fm.
    Type of Medium: Electronic Resource
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  • 3
    ISSN: 1434-601X
    Keywords: 21.10.Dr ; 25.70.Cd ; 27.20.+n
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The mass of 13 Be has been measured with the reaction 13 C(14 C,14 O)13 Be at E Lab =337 MeV. A Q-value of Q 0=−37.02(5) MeV was obtained and the mass excess is M.E.=35.16(5) MeV. If the observed line corresponds to the ground state,13 Be is particle unstable with respect to the oneneutron emission by 2.01 MeV. The observed line width of 0.3(2) MeV supports an assignment ofJ π=5/2+ or 1/2−, but excludesJ π=1/2+. An excited state is seen at 3.12(7) MeV; there are indications of a second excited state at 6.5(2) MeV.
    Type of Medium: Electronic Resource
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  • 4
    ISSN: 1434-601X
    Keywords: 21.10.Dr ; 25.70.Cd ; 27.20.+ n
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The mass of10Li has been measured with two different reactions:9Be(13C,12N)10Li,E Lab=336 MeV, and13C(14C,17F)10Li,E Lab=337 MeV. The mass excess of 33.445(50) MeV is deduced from theQ-value measurement.10Li is found to be particle-unstable with respect to one-neutron emission by 0.42(5) MeV. In the analysis of the first reaction a low lying excited state is found at 0.38(8) MeV. This state and the ground state can be most probably identified as the 1+/2+-doublet coupled from the [π 1p3/2 ⊗ν 1p 1/2] configuration, the 1+-state being the ground state. The (13C,12N)-reaction populates the 1+-state strongly due to a spin-isospin-flip character of the dominant part of the transition amplitude. The 2+-member corresponds to the mass given by Wilcox et al. A second excited state is observed at 4.05(10) MeV with a width of 0.7(2) MeV, it can be associated with theν 1d 5/2-strength. The second reaction is fully supporting the interpretation of the ground state doublet. The excited state at 4.05 MeV is not observed in this reaction and indeed it should not, because the reaction does not populate in first order excited neutron configurations. The levels are well described by mean field calculations including pairing correlations. The lowest resonance in the calculations is theν 1/2−-configuration, whereas theν 1/2+-configuration shows at the neutron threshold a strong non-resonant contribution.
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  • 5
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Additional Material: 3 Ill.
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  • 6
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The solution structure of an α-amylase inhibitor, tendamistat, calculated from nmr data with the distance geometry program DISMAN is subjected to restrained energy minimization. To study the influence of force field parametrizations and the convergence behavior of refinement algorithms, two different programs were used. AMBER is an established software package including a steepest descent and/or conjugent gradient optimizer in the Euclidian space; the name AMBER also represents a force field. The program FANTOM (fast Newton-Raphson torsion angle energy minimizer) is a new restrained energy refinement implementation of the Newton-Raphson algorithm, which uses second derivatives of the conformational energy in dihedral angle space with the ECEPP/2 force field. For both programs the normal energy force field was supplemented with an additional potential of the form ΣA(di - ui)6 (if di 〉 ui), which enforces upper limits ui to selected distances di as measured by nmr. Improvements of the intramolecular interactions with a decrease of the internal energies of about 1000 kcal/mol could be achieved without increasing the distance constraint violations. The restrained energy refinements caused only small changes of the molecular geometries: The root mean square distance values for the backbone atoms between the initial DISMAN structure and the refined structures are about 0.5 Å for AMBER and about 0.7 Å for FANTOM. Local conformational changes during the restrained energy minimizations are analyzed with respect to hydrogen-bond formation, and with respect to comparisons of the solution structure and the crystal structure.
    Additional Material: 4 Ill.
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  • 7
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Biopolymers 30 (1990), S. 975-983 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The collective internal dynamics of transfer RNAphe from brewer's yeast in solution was studied by depolarized dynamic light scattering (DDLS). Within the melting region of tRNA the depolarized spectra consist of two Lorentzian, where the narrow (slow) component describes the overall rotation of the macromolecule. The broad component is attributed to the collective reorientation of the bases within the biopolymer. At high temperature only this relaxation process is observed in the spectrum. The viscosity dependence of the collective internal relaxation process is described by the Stokes-Einstein-Debye equation for rotational diffusion. Estimates of the internal orientational pair correlation factor from the integral depolarized intensities of tRNAPhe solutions indicates that the observed dynamics correspond to the collective reorientation of approximately 5 bases. A comparison of the results presented with DDLS studies on the aggregation of the mononucleotide guanosine-5′-monophosphate confirms this result. For a further characterization of the relaxation process we studied the effect of hydrostatic pressure (1-1000 bar) on the depolarized spectra of tRNA. While other spectroscopic methods like nmr, fluorescence polarization anisotropy decay, or ESR give information about the very local motion of a single base within the DNA or RNA, this study shows that by DDLS one can characterize collective internal motions of macromolecules.
    Additional Material: 3 Ill.
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  • 8
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Biopolymers 31 (1991), S. 813-825 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Photon correlation spectroscopy has been used to study the translational (D0)and internal dynamics of monodisperse linear and polydisperse superhelical plasmid-DNAs. Scattering vector dependent correlation functions were measured and analyzed with the inverse Laplace transform CONTIN written by S. Provencher. For scattering vectors (q) lower than 1.3 × 105cm-1, D0 can be separated from internal dynamics. Using the measured D0value, the q dependence of internal modes was determined. Extrapolation of the internal relaxation times for q → 0 yields the longest internal relaxation time t1. This time can be connected to the persistence length in terms of the Berg-Soda model, which describes the molecule as a semiflexible circular polymer with hydrodynamic interactions. The calculated length of 76 nm for DNA, I = 0.15 mol/L, is a little higher than the one obtained from static light scattering data without excluded volume corrections. A comparison of experimental and simulated correlation functions for the Berg-Soda model shows that the model gives a fairly good description of the dynamics of the linear molecule, whereas large discrepancies between model and experimental functions are observed for the superhelical DNA. Small differences between model and experimental functions are mainly attributed to the neglect of the torsional modes that may be coupled to bending and flexing modes. For the superhelical DNA the agreement is improved if the calculation is carried out with a linear molecule, with shorter contour length and increased diameter. Both quantities can be derived from the known superhelix tilt angle.
    Additional Material: 8 Ill.
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  • 9
    Electronic Resource
    Electronic Resource
    New York : Wiley-Blackwell
    Biopolymers 30 (1990), S. 677-689 
    ISSN: 0006-3525
    Keywords: Chemistry ; Polymer and Materials Science
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Photon correlation spectroscopy was used to study both F-actin and F-actin/filamin networks in solution. The measured autocorrelation functions were analyzed with the inverse Laplace transform CONTIN. The resulting frequency distributions consist of maximal five relatively narrow peaks. This rather unexpected finding disagrees with the frequency spectra calculated for an entangled rigid rod model. For this model, we expect spectra consisting of a single broad peak. Factors like flexibility, deviation from an experimental length distribution, interference with chemical reactions, and translation rotation coupling that would influence the profile of the frequency distribution could be excluded by comparison of the data with model calculations or qualitative estimates. We conclude that our data for F-actin are consistent with the dynamics of an infinite network stable on the time scale of the observed modes. Further support for this interpretation is provided by a comparison with frequency spectra of actin/filamin networks. These appear to be very similar in shape. The main peak of these spectra that corresponds to the slow motions shifts to lower frequencies with increasing cross-link density. It appears that higher frequency modes of the gel are more efficiently damped with progressive cross-link density, resulting in a predominance of the slow motions in the spectra. This behavior has been already found in other systems and seems to be a general feature of cross-linked systems.
    Additional Material: 7 Ill.
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  • 10
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 38 (1990), S. 181-189 
    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 direct reaction field (DRF) method, developed to incorporate the effects of a (large) semiclassical environment into the Hamiltonian of a quantum mechanical system, is briefly reviewed. It is shown that the DRF method behaves - at least - like a supermolecule SCF calculation. With the water dimer as an example, the similarity with the SCF procedure is demonstrated, and an application to the interaction between the active site of papain and the remaining 3000 or so atoms of this protein shows the inadequacy of dielectric constant models and the necessity of including atomic polarizabilities in model force fields.
    Additional Material: 3 Ill.
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