HR: 1340h
AN: B53C-1002 [Abstracts]
TI: Electrostatic Interaction of Viruses With Heterogeneously Charged Surfaces Under Environmental
Conditions
AU: Viani, B E
EM: viani@llnl.gov
AF: Lawrence Livermore National Laboratory, Energy and Environment Directorate, 7000 East Avenue,
Livermore, CA 94550
United States
AU: Schaldach, C M
EM: schaldach1@llnl.gov
AF: Lawrence Livermore National Laboratory, Chemistry and Materials Science Directorate, 7000 East Avenue,
Livermore, CA 94550
United States
AU: Bourcier, W L
EM: billb@llnl.gov
AF: Lawrence Livermore National Laboratory, Energy and Environment Directorate, 7000 East Avenue,
Livermore, CA 94550
United States
AU: Shaw, H F
EM: shaw4@llnl.gov
AF: Lawrence Livermore National Laboratory, Energy and Environment Directorate, 7000 East Avenue,
Livermore, CA 94550
United States
AU: * Wilson, W D
EM: wdwils@llnl.gov
AF: Lawrence Livermore National Laboratory, Chemistry and Materials Science Directorate, 7000 East Avenue,
Livermore, CA 94550
United States
AB:
The electrostatic interactions of three viruses: Norwalk, MS2 and Qb, with environmentally relevant charged surfaces have
been calculated as a function of fluid pH, ionic strength, and surface charge heterogeneity. The virus is modeled as a
charged particle comprised of a shell of amino acid residues whose charges are a function of pH and which contains a
spherical, charged, RNA core. The viral particle is placed in the vicinity of an infinite Gouy-Chapman (Poisson-Boltzmann)
plane having surface charge density, s1, which contains an atomistic region of different charge density, s2, and of finite
size. The atomistic region is treated at the Debye-Hckel level of theory. It is found that the electrostatic interaction of
the three viruses to these planar surfaces is strongly dependent upon the ionic strength of the solution and the spatial
distribution of amino acid residues in the viral coat.
DE: 4809 Colloids
DE: 3947 Surfaces and interfaces
DE: 0400 Biogeosciences
SC: Biogeosciences [B]
MN: 2004 AGU Fall Meeting