The Poulos-Kraut mechanism of compound I formation in horseradish peroxidase: A QM/MM study

Article Abstract:

QM/MM calculations are used to elucidate the Poulos-Kraut mechanism of O-O bond activation and compound I formation in horseradish peroxidase, in conditions corresponding to neutral to basic pH. Attempts to generate compound I directly from the [Fe[H.sub.2][O.sub.2]] complex by migrating the proton from the proximal oxygen to the distal one result in high barriers.

Quantum theory, Quantum mechanics, Iron compounds, Peroxidase

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Investigation of aerosol formation during benzaldehyde photolysis

Article Abstract:

An investigation is conducted on the kinetics of photolysis and photonucleation of benzaldehyde (BA) vapor in the air and in an inert gas along with the physical and chemical characteristics of the resulting aerosol particles. Short lived free radicals that accompany the BA photonucleation process were identified.

Nucleation, Nucleation (Chemistry), Aldehydes

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Photodissociation of the CO complex of horseradish peroxidase studied by laser-induced optoacoustic spectroscopy

Article Abstract:

The photolysis of the CO-ligated heme protein horseradish peroxidase isoenzyme C (HRP) is studied using the laser-induced optoacoustic spectroscopy (LIOAS). Differences in the photolysis of the related CO complexes of myoglobin and hemoglobin with respect to both volume and enthalpy changes were observed.

Protein synthesis, Protein biosynthesis

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