In this paper, we used quantum chemical approach to shed light on the catalytic mechanism of γ-carbonic anhydrase (γ-CA) to convert carbon dioxide to bicarbonate ion. Density functional theory (DFT) using B3LYP and UB3LYP functional and three split-valance including 6-31G*, 6-311G** and 6-311++G** basis sets were used to calculate the details of electronic structure and electronic energy of act...

In this paper, we used quantum chemical approach to shed light on the catalytic mechanism of γ-carbonic anhydrase (γ-CA) to convert carbon dioxide to bicarbonate ion. Density functional theory (DFT) using B3LYP and UB3LYP functional and three split-valance including 6-31G*, 6-311G** and 6-311++G** basis sets were used to calculate the details of electronic structure and electronic energy of act...

The carbon isotopic fractionation of phytoplankton photosynthesis ( p) has been interpreted by previous authors as inconsistent with active bicarbonate uptake. This interpretation contradicts the results of numerous physiological studies demonstrating signi cant active bicarbonate uptake in phytoplankton. Using a simple model of cellular regulation of carbon acquisition we show that an upward c...

The adsorption of nitrobenzene on active carbon was researched. The experimental results shown the adsorption of nitrobenzene on active carbon can be described by Freundlich's adsorption model. On the other hand, beta-cyclodextrin (beta-CD) and hydroxypropyl-beta-cyclodextrin (HP-beta-CD) can react with nitrobenzene to form inclusion complex, which will enhance the aqueous solubility of nitrobe...

in this paper, the chemical functionalization of carboxylated multi-walled carbon nanotubes (mwnt-cooh) by 1,2-phenylenediamine, have been investigated. mwnt-benzimidazole is obtained through mwnt-amide reaction with pocl3 after 72h, which is confirmed by ft-ir, sem, tga, and elemental analysis. these functionalizations have been chosen due to –nh2 and nhco active sites in mwnt-amide for future...

a sensor, based on multi-wall carbon nanotubes modified glassy carbon electrode (mwcnt/gce), was developed for determination of fenitrothion. determining the surface area of mwcnt/gce showed that this surface is three times more active than that of a glassy carbon electrode. the experimental parameters, such as the amount of mwcnts, ph of the fenitrothion solution, preconcentration potential an...