Construction by molecular dynamics modeling and simulations of the porous structures formed by dextran polymer chains attached on the surface of the pores of a base matrix: Characterization of porous structures
Article Abstract:
The M3B model is modified and used in molecular dynamics (MD) simulation studies to construct porous dextran layers on the surface of a base matrix, where the dextran polymer chains and the surface are covered by water. Few promising structures are selected for studying the immobilization of adsorption sites on the pore surfaces and the subsequent adsorption of the bioactive molecules onto the immobilized affinity groups/ligands.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
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Are adenine strands helical H-aggregates?
Article Abstract:
Quantum mechanical calculations are used for showing the homogeneous single-stranded adenine bases form helical H aggregates and the photoexcited states are described as Frenkel excitons. The calculated excitonic coupling between adjacent transition dipoles have agreed well with the measured absorption of 20-base homogeneous adenine stacks that have displayed a blue shift of 1.6 nm relative to that of the monomeric species.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2007
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Application of a "black body" like reactor for measurements of quantum yields of photochemicals reactions in heterogeneous systems
Article Abstract:
An experimental application of the concept of 'black body' like reactor to measure quantum yields of photochemical reactions in liquid-solid heterogeneous systems was reported. The findings suggest that the experimental determination of the quantum yield requires only measurements of reaction rates and the irradiance of the actinic light.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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