This study was conducted to determine the chemical composition and metabolizable energy of poultry by-product meal (PBPM) from two slaughterhouses in Iran. Samples were analyzed for dry matter, crude protein, ash, ether extract and gross energy. The amounts of calcium, phosphorus, sodium, potassium, Magnesium, Iron, Manganese, copper and Zinc were determined. The apparent metabolizable energy (...

The morpholinium cation based ionic liquids are designed to evaluate the thermophysical, chemical reactivity, and biological activity. To estimate and design the bioactive ILs, propionate and trihalopropanoate were considered under theoretical study by Density Functional Theory (DFT). To make effect of halogens atom on anion, propionate, trifluro propionate, trichloro propionate, and tribromo p...

The molecular machine in biological systems works as a chemical energy transducer. For instance, the protein motors such as myosin and kinesins, or flagellar motor produce mechanical energy as they consume the chemical energy provided by hydrolysis of ATP or proton density gradient. Some other proteins, such as enzymes or pump proteins of membrane transportation, can be also thought as chemical...

In this research, the quantum mechanics calculations were carried out to elucidate the adsorption behavior of metronidazole drug on the surface of pristine as well as doped C60 fullerene with Si, B and Al using density functional theory (DFT) at B3LYP/6-31G(d,p) level. After optimization of the structures, various parameters such as HOMO and LUMO energies, gap energy, adsorption ener...

The N-(2-benzoyl-phenyl) oxalyl derivatives are important models for studying of three-centered intramolecular hydrogen bonding in organic molecules. The quantum theoretical calculations for two crystal structures of N-(2-benzoyl-phenyl) oxalyl (compounds I and II) were performed by Density Functional Theory (B3LYP method and 6-311+G* basis set). From the optimized structures, geometric paramet...

chemical hardness () and absolute electronegativity () have important applications in chemistry. inthe conceptual density functional theory (dft), these concepts has been associated with electronicenergy and the relationship with ionization energy (i) and electron affinity (a) of these concepts hasbeen given. in this study, graphical method was used in order to see the relationship with the a...

Stabilities and quantum molecular descriptors of cyclophoshphamide (an anticancer drug)-functionalized (8,0) zigzag and (4,4) armchair carbon nanotubes (CNTs) complexes in water were studied using density functional theory (DFT) calculations. Two attachments namely the sidewall- and tip-attachments are considered for the model constructions. Calculations of the total electronic energy (Et) and ...