A theoretical study of the kinetic and mechanism of intramoleccha cychcation of (1)-undeca-7,8-dien-2-yne was performed using MT methods at B3LYP and B3PW91 levels of theory using 6-311g, 6-311C.6-31 IGs*, 6-31I+G, 6-31 I4-SG and 6-3114H-Gs* basis seo. Equilibrium molecular geometries andharmonic vibrational frequencies of the reaccint, transition state and product wens calculated. Theconsidere...

The hydrolysis of sodium borohydride as a source of hydrogen gas is studied at different mole ratios of H+ to NaBH4. The sulfonated porous carbon (SPC) is used as a source of hydrogen ion and catalyst. It is found that the sulfonated porous carbon exhibits high activity for the hydrolysis of NaBH4 to generate hydrogen gas at room temperature in comparison to Amberlyst-15 and Nafion-NR50. The ki...

A kinetic model of a fixed bed tubular reactor incorporating catalyst deactivation was developed for the ISOMAX unit of Arak refinery. The kinetic parameters for the hydrocracking reactions over the commercial catalyst were determined using initial activity plant data i.e. when the catalyst is fresh. Catalyst deactivation was then taken into account by means of deactivation function based on pl...

Proteolytic enzymes are usually biosynthesized as somewhat larger inactive precursors known as zymogens. These zymogens must undergo an activation process, usually a limited proteolysis, to attain their catalytic activity. When the activating enzyme and the activated enzyme coincide, the process is an autocatalytic zymogen activation. In the present study, a kinetic analysis of the entire progr...

The sphingomyelinase (Sphmase) activity degrading sphingomyelin (Sphm) monolayers shows a slow-reaction latency period before exhibiting constant rate catalysis. These two kinetic regions are regulated independently by the lateral surface pressure and by lipids that are biomodulators of cell function such as ceramide, glycosphingolipids, fatty acids, and lysophospholipids. Knowledge of the inte...

Cis-polybutadiene was functionalized using in–situ generated DMD as oxidant and tetra-n-butyl ammonium bromide as phase transfer catalyst (PTC). The epoxidation process was investigated by 1HNMR spectroscopy. 1HNMR spectrum analysis of products confirms the absence of ring opening side products in epoxidation reaction. Various factors such as reaction temperature, reaction time and the concentr...

A theoretical study of the kinetic and mechanism of 3-aug-Cope rearrangement in gas phase was performed usingDET methods at B3LYP levels of theory with 6-3114iG(d,p) bass set at 298.I5K. Equilibrium moleculargeometries and harmonic vibrational frequencies of the reactant, transition state Did product were calculated. Then,rate constant and activation thermodynamics parameters were calculated an...

In this research oxidation kinetic panceuo.s (P.S) by S2O8-2 at the presence of AgNO3 ascatalyst was studied.The method was spectrophotometer following absorption spectrum (P.S) inwave length of 518 nm. After improving the condition such as PH, P.S concentration, K2S2O8concentration, ionic strength, temperature, rate constant, activation energy, constant frequency,order reaction and thermo dyna...

The current study aimed at in vitro investigating the kinetic study and thermodynamic analysis of mebendazole drug released from electrospun cellulose nanofiber in which guar gum is used as a release controller. The nanofibers were fabricated by electrospinning technique. The fibers were boosted by different controller guar gum 10 at 50, 250, and 500 ppm concentrations. The drug releas...