The planar isomerization routes of the vinylidene/acetylene cation in the lowest electronic states are accurately examined for the first time, by using large scale MRCI and CCSDT calculations in a complementary way. They are compared with the similar calculations performed for the neutral ground state isomerization. An accurate value of the adiabatic ionization potential of vinylidene (11.26 eV...

Site-directed mutagenesis was used to identify key amino acid residues of the cholesterol oxidase from Streptomyces sp., which catalyzes the oxidation of cholesterol and the isomerization of 5-cholesten-3-one. Eight mutant enzymes were constructed and the following amino acid substitutions were identified: N318A, N318H, E356A, E356D, H441A, H441N, N480A and N480Q. Mutants N318A and N318H retain...

Isomerization-linear-hydroformylation is demanding, however, not an addressed issue, for the production of value-added linear aldehydes by converting cheap and abundant internal alkenes available from bio- & petrochemical industry. In this paper, a dual metal catalysis system combining Ru-isomerization catalyst Rh-linear-hydroformylation satisfying “4S” criterions was reported isomerization-lin...

The first Ni-catalysed alkene isomerization of allylamides for the synthesis of enamides was demonstrated. Various substituted N-allylamides were found to be suitable substrates for this isomerization. Isotopic labelling experiments showed that it is an intramolecular hydrogen transfer process.

The effect of H2 on isomerization pathways and on the acid site density on WOx-ZrO2 catalysts was explored using kinetic measurements of acid-catalyzed o-xylene isomerization reactions. Initial o-xylene isomerization rates on WOx-ZrO2 at 523 K are proportional to the H2 concentration even though H atoms are not involved directly in reaction turnovers, as shown by the low deuterium content in th...

Photoisomerization of azobenzene derivatives is a versatile tool for devising light-responsive materials for a broad range of applications in photonics, robotics, microfabrication, and biomaterials science. Some applications rely on fast isomerization kinetics, while for others, bistable azobenzenes are preferred. However, solid-state materials where the isomerization kinetics depends on the en...

The conformational isomerization dynamics of melatonin and 5-methoxy N-acetyltryptophan methyl amide (5-methoxy NATMA) have been studied using the methods of IR-UV hole-filling spectroscopy and IR-induced population transfer spectroscopy. Using these techniques, single conformers of melatonin were excited via a well-defined NH stretch fundamental with an IR pump laser. This excess energy was us...

Of the sugars recovered from lignocellulose, D-glucose can be readily converted into ethanol by baker's or brewer's yeast (Saccharomyces cerevisiae). However, xylose that is obtained by the hydrolysis of the hemicellulosic portion is not fermentable by the same species of yeasts. Xylose fermentation by native yeasts can be achieved via isomerization of xylose to its ketose isomer, xylulose. Iso...

The isomerization of 1,3-dihydroxyactone and d-glucose over Sn-Beta zeolite was investigated by in situ 13 C NMR spectroscopy. The conversion rate at room temperature is higher when the zeolite is dehydrated before exposure to the aqueous sugar solution. Mass transfer limitations in the zeolite micropores were excluded by comparing Sn-Beta samples with different crystal sizes. Periodic density ...

A decalin gel consisting of a 3,3'-bis[{(octylamino)carbonyl}propoxy]azobenzene derivative with H-aggregation showed a photon-density dependent E-Z isomerization, indicating the cooperating isomerization of each module.