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Chemicals, plastics and rubber industries

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Quantum chemical evaluation of protein control over heme ligation: CO/O2 discrimination in myoglobin

Article Abstract:

A distal histidine residue through steric and H-bonding interactions tunes control of O2 versus CO binding in myoglobin. It is concluded that H-bonding from the distal histidine also stabilizes a side-on bound metastable isomer of the O2 adduct. which may play critical role in photodynamics.

Author: Spiro, Thomas G., Car, Roberto, de Angelis, Filippo, Jarzecki, Andrzej A.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2005
New Jersey, Industrial Gas Manufacturing, Industrial gases, Carbon Monoxide, Observations, Protein binding, Quantum chemistry

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Anisotropic adsorption of molecular assemblies on crystalline surfaces

Article Abstract:

The anisotropic adsorption of molecular assemblies on crystalline surfaces is analyzed. Torque aligns both micelles and protein fibrils and the interaction energy is minimized when the assembly lies perpendicular to a symmetry axis of a crystalline substrate.

Author: Aksay, Ilhan A., Car, Roberto, Je-Luen Li, Saville, Dudley A., Jaehun Chun
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Analysis, Anisotropy, Protein research, Micelles, Chemical properties

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Fucntionalized single graphene sheets derived from splitting graphite oxide

Article Abstract:

A process that produces single sheets of functionalized graphene through thermal exfoliation of graphite oxide is described. The process yields a wrinkled sheet structure resulting from reaction sites involved in oxidation and reduction processes.

Author: Aksay, Ilhan A., Prud'homme, Robert K., Car, Roberto, Schniepp, Hannes C., Je-Luen Li, McAllister, Michael J., Sai, Hiroaki, Herrera-Alonso, Margarita, Adamson, Douglas H., Saville, Dudley A.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
Oxidation-reduction reaction, Oxidation-reduction reactions, Thermal properties, Graphite

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