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  • 1
    Electronic Resource
    Electronic Resource
    The hydration shell of myoglobin (1992)
    Springer
    European biophysics journal 21 (1992), S. 313-320 
    Details
    ISSN: 1432-1017
    Keywords: Monte Carlo ; Crystal water ; Structure refinement
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Physics
    Notes: Abstract The space in the unit cell of a metmyoglobin crystal not occupied by myoglobin atoms was filled with water using Monte Carlo calculations. Independent calculations with different amounts of water have been performed. Structure factors were calculated using the water coordinates thus obtained and the known coordinates of the myoglobin atoms. A comparison with experimental structure factors showed that both the low and the high resolution regime could be well reproduced with 814 Monte Carlo water molecules per unit cell with a B-value of 50 Å2. The Monte Carlo water molecules yield a smaller standard R-value (0.166) than using a homogeneous electron density for the simulation of the crystal water (R = 0.212). A reciprocal space refinement of the water and the protein coordinates has been performed. Monte Carlo calculations can be used to obtain information for crystallographically invisible parts of the unit cell and yield better coordinates for the visible part in the refinement.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00188343
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  • 2
    Electronic Resource
    Electronic Resource
    Adsorption of fish oil and poly(vinylbutyral) onto aluminum oxide particles studied by light scattering (1991)
    Springer
    Colloid & polymer science 269 (1991), S. 1077-1085 
    Details
    ISSN: 1435-1536
    Keywords: Aluminum oxide ; adsorption ; light scattering ; fish oil ; poly(vinylbutyral)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology , Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Abstract The effects of added poly(vinylbutyral) (PVB) and oxidized Menhaden fish oil (O-FO) on dilute suspensions of Al2O3 in the azeotropic solvent mixture 73/27 Wt.-% trichloroethylene/ethanol were studied by static (SLS) and dynamic light-scattering (DLS). The DLS correlation function consisted of four terms from: 1) interdiffusion of the two solvents, 2) diffusion of Al2O3, 3) diffusion of added O-FO and/or PVB, and 4) an induced velocity of particles through the scattering volume due to “laser pressure.” The amplitude and relaxation time of all terms could be determined. Addition of PVB to the Al2O3 suspension resulted in an increase in particle size corresponding to the adsorption of a monolayer of coils. Addition of O-FO to the Al2O3 suspension did not produce a significant increase in particle size, indicating either no adsorption or a compact conformation of O-FO molecules on the Al2O3 surface.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00654114
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