Engineering a bimetallic system with complementary chemical properties can be an effective way of tuning catalytic activity. In this work, CO oxidation on CeO2(111)supported Pd-based bimetallic nanorods was investigated using density functional theory calculations corrected by on-site Coulomb interactions. We studied a series of CeO2(111)supported Pd-based bimetallic nanorods (Pd−X, where X = A...

Background & Aim: Considering the inevitable side effects of chemical drugs, nowadays, herbal medicine has gained a special importance. Cinnamon of Lauraceae Family, is commonly used as a food spice and medicine. It is famous to be, antimicrobial, anti-oxidant, anti-diabetic, anti-viral, and antispastic. It also prevents abdominal bloating, increases sweating and uterus muscle constric...

Background & Aim: Considering the inevitable side effects of chemical drugs, nowadays, herbal medicine has gained a special importance. Cinnamon of Lauraceae Family, is commonly used as a food spice and medicine. It is famous to be, antimicrobial, anti-oxidant, anti-diabetic, anti-viral, and antispastic. It also prevents abdominal bloating, increases sweating and uterus muscle constric...

Abstract: In this work we investigate the electronic, optical, dynamic and thermoelectric properties of ternary copper-based Chalcogenides CuSbX2 (X= S, Se) compounds. Calculations are based on density functional theory and the semi-classical Boltzmann theory. Computations have been carried out by using Quantum-Espresso (PWSCF) package and ab-initio pseudo-potential technique. To estimate the e...

In recent years, several oconjugation protocols have been developed to improve the functional properties of the enzyme lysozyme. In this study, the optimum conditions of lysozyme – oxidized inulin conjugation and functional properties of the modified lysozyme were investigated. Initially, inulin (MW about 25 kDa) was oxidized by periodate to provide the reactive carbonyl groups  to attach to am...

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Abstract Heat-moisture treatment is a physical method for starch modification to improve its functional properties depending on the application. The functional characteristics of the heat-moisture treated starch depend upon the source of starch and treatment conditions including time and temperature. The main objective of this study was to determine the functional properties of heat-moisture tr...

in the present work, the electronic properties of titanium were studied in three phases of α, β and ω using the density function theory (dft). the full potential augmented plane wave plus local orbital (flapw+lo) method was applied using the generalized gradient approximation. the calculated total energies showed that omega phase was more stable than the two other phases. the largest electrical...