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 formation of extended defects in graphene from the coalescence of individual mobile vacancies can significantly alter its mechanical, electrical and chemical properties. We present the results of ab initio simulations which demonstrate that the strain created by multi-vacancy complexes in graphene determine their overall growth morphology when formed from the coalescence of individual mobil...

The present study serves two purposes. First, we evaluate the ability of present time-dependent density functional response theory (TDDFRT) methods to deal with avoided crossings, i.e., vibronic coupling effects. In the second place, taking the vibronic coupling effects into account enables us, by comparison to the configuration analysis in a recent ab initio study [J. Chem. Phys. 115, 6438 (20...

sustainable development of the production in every region requires consideration of energy flow in the production system, moreover, investigating the production system inputs from environmental management point of view is of high importance. in this study energy use and greenhouse gas emissions is investigated. data were collected through interviews with 75 tea farmers and comparing the results...

Density functional theory methods(DFT) and natural bond orbital (NBO) analysis were used to investigate the effects of isomerism and side chain mutation at a microscopic level on the stability, binding energy and NMR/NQR tensors of structural isomers, L- methionylasparagine (Met-Asn) and L- asparagylmethionine (Asn-Met) in the gas phase. The results represented that the isomerism and side chain...

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 ...

We analyze the difference between the correlation energy as defined within the conventional quantum chemistry framework and its namesake in density-functional theory. Both quantities are rigorously defined concepts; one finds that E QC c ≥ E DF T c. We give numerical and analytical arguments suggesting that the numerical difference between the two rigorous quantities is small. Finally, approxim...

three artificial neural networks (ann) models; general regression neural network (grnn), redial basis function (rbf) and three layer multiple perceptron network were carried out to evaluate the prediction of the apparent metabolizable energy (ame) of wheat and corn from its chemical composition in broiler. input variables included: gross energy (ge), crude protein (cp), crude fiber (cf), ether ...