we report herein the development of a highly sensitive colorimetric method for the detection of 4-hydroxy-2-mercapto-6-methylpyrimidine (mtu) which acts as an anti-thyroid drug utilizing citrate capped gold nanoparticles (au-nps). this thiol-containing molecule exhibits intriguing affinity with au-nps. the reactivity involves the displacement of the citrate shell by the thiolate shell followed ...

Forward osmosis (FO) membrane is a promising technique. However, its application in desalination limited. Thus, we synthesized MIL-53(Fe)@γ-Al2O3 via solvent-thermal method to fabricate MIL-53(Fe)@γ-Al2O3/cellulose acetate (CA) composite membranes of high performance. and MIL-53(Fe) particles were studied using XRD, FITR, SEM, N2 adsorption-desorption isotherms, AFM. The structural features MIL...

In this study, the structures, the IR spectroscopy, and the electronic properties of AunCum (n+m≤5) bimetallic clusters were studied and compared with those of pure gold and copper clusters using the generalized gradient approximation (GGA) and exchange correlation density functional theory (DFT). The study of an O2-AunCum system is important to identify the promotion effects of each of the two...

The adsorption of hydrogen sulfide molecule on undoped and N-doped TiO2/Au nanocomposites was investigated by density functional theory (DFT) calculations. The results showed that the adsorption energies of H2S on the nanocomposites follow the order of 2N doped (Ti site)>N-doped (Ti site)>Undoped (Ti site). The structural properties including bond lengths, angles<span id="...

The valorization of waste from biomass currently arouses great interest. In the present study we concentrate on design innovative BEA zeolite catalysts with applied metal nanoparticles - copper, vanadium and manganese for dehydration lactic acid to acrylic acid. Th e ab initio method based density functional theory (DFT) was used calculate electron structure analyzed molecules. non-local genera...

A kind of nanocomposites with good dispersion in water was prepared through noncovalent adsorption of toluidine blue (Tb) on multiwalled carbon nanotubes (MWCNT) for electric communication between horseradish peroxidase (HRP) and electrode. The nanocomposites could be conveniently cast on electrode surface. With the aid of chitosan, HRP was then immobilized on the nanostructure to form a reagen...

in this study, the structures, the ir spectroscopy, and the electronic properties of auncum (n+m≤5) bimetallic clusters were studied and compared with those of pure gold and copper clusters using the generalized gradient approximation (gga) and exchange correlation density functional theory (dft). the study of an o2-auncum system is important to identify the promotion effects of each of the two...

In this study, the structures, the IR spectroscopy, and the electronic properties of AunCum (n+m≤5) bimetallic clusters were studied and compared with those of pure gold and copper clusters using the generalized gradient approximation (GGA) and exchange correlation density functional theory (DFT). The study of an O2-AunCum system is important to identify the promotion effects of each of the two...

adsorption of co molecule on the vanadium surface has been studied by using of the dft method with lanl2dz,6-31g* and 6-31g** basis sets by gga approximation of theory. using periodic first principles simulations we investigate the interaction of oxygen molecule with regular v (100) surface. the limitation of this approach is the use of thin metallic slabs with a limited range for their coverag...

Effects of dissolved carbonate on arsenate [As(V)] reactivity and surface speciation at the hematite-water interface were studied as a function of pH and two different partial pressures of carbon dioxide gas [P(CO2) = 10(-3.5) atm and approximately 0; CO2-free argon (Ar)] using adsorption kinetics, pseudo-equilibrium adsorption/titration experiments, extended X-ray absorption fine structure spe...