the thermodynamic functions such as enthalpy (h), gibbs free energy (g) and entropy (s) ofpyrazole was theoretically studied at 5 different temperatures 25, 30, 35, 40 and 45°c by usinggussian o3, software. first, the structural optimization of isolated pyrazole was done in the gas phaseby appling the density functional theory (b3lyp) level with 3-21g, 6-31g and 6-31+g(d) basissets. moreover, v...

Cofacial Fe2, Co2, and Ni2 complexes supported by a para-terphenyl diphosphine ligand were prepared. Central arene deplanarization and a μ2:(η(3),η(3)) coordination mode suggest partial bisallyl character in the Fe2 and Co2 complexes. An oxidation induced shift in Fe2-arene binding highlights the non-innocent nature of the arene ligand.

Elevated LPS and elevated cytochrome P-450 2E1 (CYP2E1) in liver are two major independent risk factors in alcoholic liver disease. We investigated possible synergistic effects of the two risk factors in causing oxidative stress and liver injury. Sprague-Dawley rats were injected intraperitoneally with pyrazole (inducer of CYP2E1) for 2 days, and then LPS was injected via tail vein. Other rats ...

In vivo administration of the alcohol dehydrogenase inhibitor pyrazole induces a cytochrome P-450 isozyme. The pyrazole-inducible cytochrome P-450 has been purified from rat livers to electrophoretic homogeneity and its biochemical, spectral, and immunological properties characterized. The final preparation had a specific content of 11 nmol of cytochrome P-450/mg of protein. A single band with ...

Both Fe3 + and Fe2 + ions occur in FeCl3-doped polyacetylene. At low dopant levels ( < 0.01 mole frac­ tion) both Fe2 + and Fe3 + io'ns are paramagnetic down to 4.2 K. At dopant levels > 0.01 mole fraction, there is evidence from Mossbauer spectroscopy that Fe2+ ions associate into aggregates which are magneti­ cally ordered below 25 K. Aggregate formation appears to correlate with high electri...

The acyl pyrazole derivative (3,5-di-tert-butylphenyl)(1H-pyrazol-1-yl)methanone was prepared simply and rapidly in 86% isolated yield by means of an oxidative functionalization reaction aldehyde with pyrazole. A substoichiometric quantity 4-acetamido-2,2,6,6-tetramethylpiperidine-1-oxoammonium nitrate used as the oxidant. performed solvent-free absence a base, making it clean, green approach. ...

Three biomimetic 2Fe2S complexes [{(micro-SCH2)2NCH2(2-C4H3O)}](Fe2(CO)6), [{(micro-SCH2)2 NCH2(2-C4H3S)}](Fe2(CO)6) and [{(micro-SCH2)2NCH2(5-Br-2-C4H2S)}Fe2(CO)6] were prepared as models for the active site of Fe-only hydrogenase by the convergent process from [(micro-S2)Fe2(CO)6] and N,N-bis(hydromethyl)-2-furan and thiophene. The structures of these complexes were identified spectroscopical...

Recent work has indicated that iron (oxyhydr-)oxides are capable of structurally incorporating and releasing metals and nutrients as a result of Fe2+-induced iron oxide recrystallization. In the present paper, we briefly review the current literature examining the mechanisms by which iron oxides recrystallize and summarize how recrystallization affects metal incorporation and release. We also p...