Using the Computational methods, the interaction effect  of Glutamine Amino acid on Graphene was investigated. For this purpose, the Density Functional Theory) DFT (in the ground state of 6-31G was used, and the interaction effects of Glutamine on Graphene was investigated through attachment to two different base positions. Different parameters such as energy levels, the amount of Chemical Shif...

Solid-state Mo nuclear magnetic resonance (NMR) properties of molybdenum hexacarbonyl have been computed using density functional theory (DFT) based methods. Both quadrupolar coupling and chemical shift parameters were evaluated and compared with parameters of high precision determined using single-crystal Mo NMR experiments. Within a molecular approach, the effects of major computational param...

The objective of this study was to evaluate the physico-chemical quality of honeys samples of stingless bee (Meliponinae). Physico-chemical analyses were: moisture, color, pH, acidity, electrical conductivity, hydroxymethylfurfural, ashes, diastasic activity, reducing sugars, and sucrose. For the parameters hydroxymethylfurfural, ashes, reducing sugars and sucrose, the samples complied with the...

BACKGROUND The bacterial and chemical contamination of dialysate fluids are important problems in haemodialysis therapy and may be caused by the water used for dialysate preparation. METHODS We performed a survey of the microbiological and chemical quality of the water used in seven dialysis wards. Special attention was paid to the effects of each water treatment step, for example ion exchang...

Modern density-functional methods for the calculation of electronic g-tensors have been implementedwithin the framework of the deMon code. All relevant perturbation operators are included. Particular emphasishas been placed on accurate yet efficient treatment of the two-electron spin-orbit terms. At an all-electronlevel, the computationally inexpensive atomic mean-field approximatio...

in order to evaluate the effects of organic fertilizer complements application (aminol forte, fosnutren and kadostim) on grain yield, milling properties and nitrogen use efficiency of two rice (oryza sativa l.) cultivars, a field experiment in factorial layout and a randomized complete block design with 10 treatments and 3 replications was conducted at rice research institute of iran in 2009. t...

We are concerned with polynomial ordinary differential systems that arise from modelling chemical reaction networks. For such systems, which may be of high dimension and depend on many parameters, it is frequently interest to obtain a reduction in certain parameter ranges. Singular perturbation theory, as initiated by Tikhonov Fenichel, provides path toward reductions. In the present paper we d...