Systematic theoretical studies for the mechanisms of the epoxidation and complete oxidation of ethylene and propylene over silver surface as well as the reactivity and the stability of oxygen species on Cu, Ag, and Au surfaces have been presented. The Ž . Ž . dipped adcluster model DAM combined with the ab initio Hartree]Fock HF , secondŽ . Ž order Møller-Plesset MP2 , and SACrSAC-CI symmetry-a...

The catalysis by S, 1 0, IS,20-tetrakis(pentafluorophenyl)-21H,23H-porphyrin iron(III) chloride (F20 TPPFeCl) of alkene epoxidation by H20 2 has been investigated. Extensive catalyst decomposition was observed during the reaction. A kinetics and product yield analysis has shown that this decomposition does not occur via either the oxoperferryl intermediate (F 20 TPP·+)F e =0 or the oxoferryl in...

This paper describes a method, discovered and refined by parallel screening, for the epoxidation of alkenes. It uses hydrogen peroxide as the terminal oxidant, is promoted by catalytic amounts (1.0-0.1 mol %) of manganese(2+) salts, and must be performed using at least catalytic amounts of bicarbonate buffer. Peroxymonocarbonate, HCO(4)(-), forms in the reaction, but without manganese, minimal ...

Being widely used, medicinal products based on vegetable oils require strict regulation and evaluation of quality attributes, determination shelf-life periods, monitoring storage conditions. The most common testing method for unsaturated compounds in is the iodine value determination, which has a range limitations. An alternative determining degree unsaturation epoxidation. aim study was to eva...

Asymmetric epoxidation is one of the most important transformations in organic synthesis. Although tremendous progress was achieved in this field in the 1980s and 1990s, it is still desirable from both economical and ecological views to develop environmentally friendly catalytic epoxidation with a broad substrate scope. Hydrogen peroxide is a safe and cheap oxidant, which is easy to handle and ...

Presented are density functional calculations on various Mn(salen) systems that are active catalysts in the epoxidation of olefins. Correlation of various structural properties such as Mn=O bond strengths, atomic charges, and C-O distances of evolving bonds in transition state geometries with modified Hammett constants reveal a mechanistic picture of the epoxidation reaction, supporting previou...

The surface of magnetite nanoparticles as nano-sized solid support was modified with a molybdenum-Schiff base complex to prepare an easily separable heterogeneous catalyst for the epoxidation of olefins. Characterization techniques such as Fourier transform infrared and inductively coupled plasma optical emission spectroscopies, X-ray diffraction, vibrating sample magnetometry, scanning, an...

Modification of dimethyl tartrate has been investigated through transesterification with aminoalcohols to provide reactive functionalities for the covalent bonding of chiral tartrate to polyhedral oligomeric silsesquioxanes. The transesterification of dimethyl tartrate has been widely studied using different catalytic systems and reaction conditions. Through the proper selection of both the cat...

Examination of the subcellular distribution of retinoic acid 5,6-epoxidase activity in rat liver and human liver homogenates showed that there is a prominent peak of activity in a high-density fraction. A corresponding peak was also detected in rat blood and human blood. Retinoic acid 5,6-epoxidation was catalysed by human blood cells but not by human plasma, and purified human haemoglobin also...

In diatoms, metabolic activity during long dark periods leads to a chlororespiratory electron flow, which is accompanied by the build-up of a proton gradient strong enough to activate the diadinoxanthin (Ddx) de-epoxidation reaction of the Ddx cycle. In the present study, the impact of chlororespiration on non-photochemical quenching (NPQ) of chlorophyll fluorescence and the regulation of the D...