Many cellular and subcellular biological processes can be described in terms of diffusing and chemically reacting species (e.g. enzymes). Such reaction-diffusion processes can be mathematically modelled using either deterministic partial-differential equations or stochastic simulation algorithms. The latter provide a more detailed and precise picture, and several stochastic simulation algorithm...

This paper describes a method for implementing surface reaction kinetics in lattice Boltzmann simulations. The interpolated boundary conditions are capable of simulating surface reactions and dissolution at both stationary and moving solid-fluid and fluid-fluid interfaces. Results obtained with the boundary conditions are compared to analytical solutions for first-order and constant-flux kineti...

Many cellular and subcellular biological processes can be described in terms of diffusing and chemically reacting species (e.g. enzymes). Such reactiondiffusion processes can be mathematically modelled using either deterministic partialdifferential equations or stochastic simulation algorithms. The latter provide a more detailed and precise picture, and several stochastic simulation algorithms ...

The Eschenmoser coupling is a useful carbon-carbon bond forming reaction which has been used in various different synthesis strategies. The reaction proceeds smoothly if S-alkylated ternary thioamides or thiolactames are used. In the case of S-alkylated secondary thioamides or thiolactames, the Eschenmoser coupling needs prolonged reaction times and elevated temperatures to deliver valuable yie...

To establish optimum conditions for creatine kinase (EC 2.7.3.2) activity measurement with the creatine phosphate in equilibrium creatine reaction, we re-examined all kinetics factors relevant to an optimal and standardized enzyme assay at 30 and 25 degrees C. We determined the pH optimum in vaious buffers, considering the effect of the type and concentration of the buffer, as well as the influ...

Elucidating changes in the distribution of reaction rates in metabolic pathways under different conditions is a central challenge in systems biology. Here we present a method for inferring regulation mechanisms responsible for changes in the distribution of reaction rates across conditions from correlations in time-resolved data. A reversal of correlations between conditions reveals information...

heterogeneous reagent systems have many advantages such as simple experimental procedures, mild reaction conditions and minimization of chemical wastes as compared to the liquid phase counterparts. al(hso4)3 as an heterogeneous, efficient, readily available, and cheap catalyst was synthesized and applied for the synthesis of 1,3-benzo[d]thiazole derivatives by condensation protocol of 2-aminoth...

The cross-coupling reaction between phenylboronic acid and various types of aryl halides (Suzuki reaction) was carried out using a catalytic amount of a new palladium catalyst (1-benzyl-3-(1-benzyl-1-methylpyrrolidin-1-ium-2-yl) pyridin-1-ium palladium chloride [DBNT][PdCl4]) in poly (ethylene glycol) (PEG-200) in the presence of KOH as the base. This new catalyst was synthesized and...

A simple and efficient procedure for the synthesis of 2-amino-3-cyanopyridines from aldehydes, ketones, malononitrile, and ammonium acetate via one-pot reaction is reported. Zinc zirconium phosphate (ZPZn) nanoparticles were used as a convenient and efficient catalyst for this multicomponent reaction (MCR) under solvent-free conditions, and fair to excellent yields were achieved. The catalyst w...

An efficient method has been developed for the Friedländer synthesis of substituted quinolines through a condensation reaction of 2-aminoaryl ketones with α-methylene ketones in the presence of a catalytic amount of nano Fe3O4@SiO2-SO3H under solvent-free conditions at 110 °C. The reactions are completed in short times, and the products are obtained in good to excellent yields. The results reve...