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  • Cell membrane  (1)
  • Dipole moments  (1)
  • Springer  (2)
  • American Chemical Society
  • American Physical Society
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  • Springer  (2)
  • American Chemical Society
  • American Physical Society
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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of computer-aided materials design 1 (1993), S. 97-110 
    ISSN: 1573-4900
    Keywords: Partial atomic charge ; Electrostatic induction ; Atomistic simulation ; Polarizability ; Dipole moments ; Fluorocarbons ; Poly(vinylidenefluoride)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics
    Notes: Summary A scheme is presented for periodically updating atom-centered partial charges due to changing local electric fields that arise during the course of a molecular simulation. The effects of electrostatic induction, due to polarization of the local electron density of bonded atom pairs, are realized through the approximation of the bond polarizability tensor as being cylindrically symmetric and directed along the bond axis, with negligible lateral polarizability. This simplification allows the reduction of polarization effects to a scalar bond ‘polarization parameter’, and subsequent partitioning of the local electron density into charge modifiers located at atom centers. The induced charges assigned to each atom are determined self-consistently. This simplification permits a reasonable approximation of both the magnitude and direction of molecular dipole moments and of molecular polarizabilities in the case of small-molecule fluorocarbons. The model is extended to the calculation of atom-centered partial atomic charges for two conformations of poly(vinylidenefluoride). The proposed method fits well into the framework of established atomistic simulation techniques based on Coulombic nonbonded atomic interactions.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Cell & tissue research 265 (1991), S. 317-328 
    ISSN: 1432-0878
    Keywords: Cortical reaction, ovum ; Exocytosis ; Cell membrane ; Cortical granules, ovum ; Intramembranous particles ; Brachydanio rerio (Teleostei)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Medicine
    Notes: Summary We have examined the cortex of the teleost (Brachydanio rerio) egg before and during exocytosis of cortical granules by scanning, transmission, and freeze-fracture electron microscopy. In the unactivated egg, the P-face of the plasma membrane exhibits a random distribution of intramembranous particles, showing a density of 959/μm2 and an average diameter of 8 nm. Particles over P- and E-faces of the membranes of cortical granules are substantially larger and display a significantly lower density. An anastomosing cortical endoplasmic reticulum forms close associations with both the plasma membrane of the egg and the membranes of cortical granules. Exocytosis begins with cortical granules pushing up beneath the plasma membrane to form domeshaped swellings, coupled with an apparent clearing of particles from the site of contact between the apposed membranes. A depression in the particle-free plasma membrane appears to mark sites of fusion and pore formation between cortical granules and plasma membranes. Profiles of exocytotic vesicles undergo a predictable sequence of morphological change, but maintain their identity in the egg surface during this transformation. Coated vesicles form at sites of cortical granule breakdown. Differences in particle density between cortical granules and egg plasma membranes persist during transformation of the exocytotic profiles. This suggests that constituents of the 2 membrane domains remain segregated and do not intermix rapidly, lending support to the view that the process of membrane retrieval is selective (i.e., cortical granule membrane is removed).
    Type of Medium: Electronic Resource
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