trifluoromethylated organic compounds, especially chiral quaternary alcohols bearing trifluoromethyl group are of important intermediates in drugs, agrochemicals and etc.an efficient epoxidation of β-cf3-β,β-disubstituted unsaturated ketones (6) has been developed with environmental benign hydrogen peroxide as the oxidant and f5-substituted chiral quaternary ammonium salt (1g or 5) derived from...

bioactive food components (such as phenolic compounds, carotenoids, anthocyanins, tochopherols, ascorbic acid, flavonoids, minerals, enzymes and pectin) are active ingredients in food or dietary supplements, which proven to have an important role in health, and are safe for human consumption. these compounds exert their antioxidant effects by different mechanisms such as single electron transfe...

this is a report on the study of high melt flow, highly isotactic polypropylene homopolymer synthesized in liquid monomer using a fifth generation ziegler-natta catalytic system. at highest catalyst productivity, the response of thecatalyst to hydrogen as chain transfer is studied. melt flow rate is controlled by hydrogen as chain transfer from 0.4 to 300 g/10min with changing the amount of hyd...

this paper reports a cfd modeling study to investigate the hydrogen-air mixture combustion in a micro scale chamber. nine species with nineteen reversible reactions were considered in the premixed combustion model. the effect of operational and geometrical conditions including; combustor size, wall conductivity, reactant flow rates and hydrogen feed splitting on combustion stability and outlet ...

Biological hydrogen production by anaerobic bacterium, Rhodospirillum rubrum was studied in batch and continuous bioreactors using synthesis gas (CO) as substrate. The systems were operated at ambient temperature and pressure. Correlations available in the literature were used to estimate the gas-liquid mass transfer coefficients (KLa) in batch reactor. Based on experimental results for the con...

In the present work, the sensitivity to the moisture (hygroscopisity) is studied for 3,4-dinitropyrazole (DNP) as a famous energetic molecule. All of the DNP-H2O complex systems (1-3) as well as individual molecules were optimized and bond lengths, bond angles, dihedral angles, charge transfer and stability via NBO analysis, corrected interaction energies with ZPE + BSSE and hydrogen bonds anal...

A comparison of hydride, hydrogen atom, and proton-coupled electron transfer reactions is presented. Herein, hydride and hydrogen atom transfer refer to reactions in which the electrons and protons transfer between the same donor and acceptor, while proton-coupled electron transfer (PCET) refers to reactions in which the electrons and protons transfer between different centers. Within these def...