We present local density approximation augmented by the Hubbard-type correction calculations of high-temperature elastic properties of bridgmanite with composition (Mg(1−x)Fe x )SiO3 for 0≤×≤0.125. Results of elastic moduli and acoustic velocities for the Mg end-member (x=0) agree very well with the latest high-pressure and high-temperature experimental measurements. In the iron-bearing system,...

An electro-Fe2+-activated peracetic acid (EC/Fe2+/PAA) process was established for organic dye removal in water. The operation factors such as the PAA dosage, Fe2+ amount, current density, and pH were investigated on methylene blue (MB) synergistic EC/Fe2+/PAA system. Efficient MB decolorization (98.97% 0.06992 min−1) achieved within 30 min under 5.4 mmol L−1 PAA, μmol Fe2+, 15 mA cm−2 intensit...

zno nps (zinc oxide nanoparticles) has generated significant scientific interest as a novel antibacterial and anticancer agent. since oxidative stress is a critical determinant of zno nps-induced damage, it is necessary to characterize their underlying mode of action. different structural and physicochemical properties of zno nps such as particle surface, size, shape, crystal structure, chemica...

The interaction of Fe2+ ion with Pyrazole was theoretically studied by Gussian 03, software at HF/(LanL2DZ+6-31G) and HF/ (LanL2DZ+6-31G (d)) levels in gas phase and solution. In this study acompartion between optimized structures of Pyrazole molecule in aspect of thermodynamicparameters such as enthalpy (H°), Gibbs free energy (G°) and entropy (S°) in presence of metallic ion(Fe2+), was perfor...

kinetics of radical polymerizations of waterborne alkyd/acrylic hybrid resin via batch mini-emulsion technique was studied using redox initiators (tbhp/fe2+/edta/asac  and  tbhp/fe2+/edta/sfs) at relatively low temperatures and thermal initiators (bpo, kps and aibn) at higher temperatures to seek the most suitable initiator system. at the end of all reactions the unreacted monomer content was r...

The peptide welding technology (PWT) is a novel chemical strategy that allows the synthesis of multibranched peptides with high yield, purity, and reproducibility. With this approach, a tetrabranched derivative of neuropeptide S (NPS) has been synthesized and pharmacologically characterized. The in vitro activity of PWT1-NPS has been studied in a calcium mobilization assay. In vivo, PWT1-NPS ha...

Ozonation is one of the most effective and efficient advanced oxidation processes (AOPs) has shown great potential in treatment industrial effluent wastewater. In present work, ozone-Fenton process for % COD color removal together with electrical energy per order (EE/O) determination distillery wastewater (DIW) was established. The developed by combining ozone (O3) Fenton (Fe2+/H2O2) process. (...

objective(s):   metal nanoparticles (nps) offer a wide variety of potential applications in pharmaceutical sciences due to the unique advances in nanotechnology research. in this work, bimetal ag-au alloy nps were prepared and their combinations with other antibiotics were tested against staphylococcus aureus.   materials and methods: firstly, ag-au alloy nps with au/ag molar ratio of 1:1 was f...