The idea that enzyme catalysis involves special factors such as coherent fluctuations, quantum mechanical tunnelling and non-equilibrium solvation (NES) effects has gained popularity in recent years. It has also been suggested that transition state theory (TST) cannot be used in studies of enzyme catalysis. The present work uses reliable state of the art simulation approaches to examine the abo...

The charge-transfer complexation reaction between iodine and dibenzo- 18-crown- 6 (DB18C6) has been studied spectrophotometrically in chloroform solution at different temperatures. The resulting donor-acceptor complex was formulated as (DB 18C6…I )I . The spectrophotometric results , as well as the conductivity measurements, indicated that the gradual release of tiiodide ion from its contac...

KINETICS Kinetics is the study of the rate at which processes occur. It is useful in providing information that:  Gives an insight into the mechanisms of changes involved, and  Allows a prediction of the degree of the change that will occur after a given time has elapsed. ORDER OF REACTION This is the number of concentration terms that determine the rate. Consider the reaction: A + B C + D Th...

We derive analytical expressions for the reactivity of a single-file system with fast diffusion and particles entering and leaving the system at one end. If the conversion reaction is fast, then the reactivity depends only very weakly on the system size, and the conversion is about 100%. If the reaction is slow, then the reactivity becomes proportional to the system size, the loading, and the r...

The enzymatic reaction of porcine pancreatic lipase with insoluble monolayers of either trioctanoin or 1,2-dioctanoin can be followed quantitatively by monitoring the considerable change in surface pressure which occurs during the course of the reaction. The rate of each reaction is proportional to the surface concentration of the substrate. The calculated pseudo-first order rate constants are ...

the kinetics and mechanism of the reaction of 5-nitro-1h-benzo[d] imidazole to produce 6-nitro-1h-benzo[d] imidazole was studied by employing hybrid meta-density functional theory. mpwblk/6-31+g** level calculations were carried out to obtain energies and optimize the geometries of all stationary points along the pes, and determine the harmonic vibrational frequencies. two transition states (ts...

The C1 Criegee intermediate, CH2OO, reaction with water vapour has been studied. The removal rate constant shows a quadratic dependence on [H2O], implying reaction with the water dimer, (H2O)2. The rate constant, kCH2OO+(H2O)2 = (4.0 ± 1.2) × 10(-12) cm(3) molecule(-1) s(-1), is such that this is the major atmospheric sink for CH2OO.

We show that the main photochemical processes involved in the phototransformation of anionic ibuprofen (IBP) in surface waters are the reaction with (•)OH, the direct photolysis and possibly the reaction with the triplet states of chromophoric dissolved organic matter ((3)CDOM). These conclusions were derived by use of a model of surface water photochemistry, which adopted measured parameters o...

in the present study, photocatalytic removal of p-nitrophenol has been carried out in the presence of zno by using a batch reactor with a uv-c lamp (15 w). the effects of applied zno concentration and uv light intensity have been studied. the increase of initial pollutant concentration decreases the removal rate, and the results indicate that the apparent reaction rate constant in the uv/zno pr...

The rate of reaction of double-stranded replicative form (RF) [3H]DNA of bacteriophage phiX174 with excess (+)strand DNA and (+)strand RNA was measured by standard methods of hydroxyapatite chromatography. The reactions follow pseudo-first-order kinetics and the observed rate constant for the RNA-DNA reaction differs less than 25% from that of the DNA-DNA reaction. The pseudo-first-order rate c...