Density functional theory investigation on the mechanism of the hepatitis delta virus ribozyme

Article Abstract:

Density function theory is used to investigate the hepatitis delta virus (HDV) ribozyme and its catalyzed phosphodiester cleavage. The potential of cytosine to act either as a catalytic base or acid is considered by examining the ability of the general environment and specific hydrogen-bonding species to affect its basicity.

Biological Product (except Diagnostic) Manufacturing, Drugs, Cytosine, Phosphodiesterases, Structure, Delta-associated agent, Hepatitis delta virus

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Detection and determination of the {Fe[(NO).sub.2]} core vibrational features in dinitrosyl-iron complexes from experiment, normal coordinate analysis, and density functional theory: An avenue for probing the nitric oxide oxidation state

Article Abstract:

The Raman studies of the Fe[(NO).sub.2] core of dinitrosyl-iron complexes (DNICs) are described. The feasibility of using a v(Fe-NO)/v(NO) correlation diagram to extract the electronic configurations and charges on metals is shown by using the vibrational data of nitrosyl-iron complexes.

Industrial Gas Manufacturing, Industrial gases, Nitric Oxide, Oxidation-reduction reaction, Oxidation-reduction reactions, Iron compounds

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