First-principles study on proton dissociation properties of fluorocarbon-and hydrocarbon-based membranes in low humidity conditions

Article Abstract:

The proton dissociation properties of the membranes for polymer electrolyte fuel cells were studied theoretically and DFT was used to study the influence of fluorocarbon and hydrocarbon backbones on proton dissociation. The decrease of the energy barrier with increasing number of coordinating water molecules, pronounced in the case of C[H.sub.3]S[O.sub.3]H may lower the barrier, which enhances good proton conductivity of a hydrocarbon-based polymer in low humidity conditions.

Science & research, Polyelectrolytes, Research, Protons

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Formation and reactions of alkyl, biallylic, and peroxyl radicals from unsaturated fatty acids in micellar and monomeric aqueous solutions

Article Abstract:

Pulsed irradiation experiments with spectrophotometric and conductivity detection were performed on aqueous solutions of unsaturated fatty acids in monomeric form and rod-shaped micelles. Results indicate that overall biallylic radical yield increased with the higher micelle structures due to enhancement of the biallylic abstraction inside the micelle.

Analysis, Micelles, Aqueous solution reactions

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Catalytic reaction mechanism of lipoxygenase: A density functional theory study

Article Abstract:

The mechanism of the full catalytic cycle for unsaturated fatty acids peroxidation by lipogenase was studied by means of hybrid density functional theory. The last step of the catalytic reaction involves the peroxy radical reduction by the ferrous form of the active site of lipoxygenase.

Methods, Oxidation-reduction reaction, Oxidation-reduction reactions, Catalysis

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