In this work, we present firstly a study based on the calculation of the local spin densities of radical cations, which is known as a good measure of reactivity for coupling reactions, to obtain a theoretical basis for the ...

A novel mathematical model has been developed to aid the formulation of emulsion explosives. This mathematical model calculated heat of explosion, oxygen balance and raw material cost as a function of explosive ingredients, ...

Keto-enol tautomerism was investigated for ionized pyruvic acid using the DFT(B3LYP) method and the larger basis sets [6-31++G(d,p), 6-311++G(3df, 3pd) and aug-cc-pVDZ]. Change of the tautomeric preference was observed ...

The cycloalkylation of diethyl malonate and ethyl cyanoacetate with alkyl dihalide was investigated by using comminuted potassium carbonate as a base and toluene as a solvent in the presence of hexadecyltrimethylammonium ...

Acrylic-type polymeric systems having degradable ester bonds linked to ibuprofen were synthesized and evaluated as materials for drug delivery. Ibuprofen, as a non-steroidal anti-inflammatory drug, was linked to 2-hydroxyethyl ...

An efficient one-pot condensation for the synthesis of 1,8-dioxo-octahydroxanthene is  achieved through a condensation of aryl aldehydes and 5,5-dimethyl-1,3-cyclohexandione in the presence of  NBS. This method enjoys ...

In this research different types of Al2O3 were used as supports to prepare catalysts for dehydrogenation of isobutane to isobutene. These supports were Al2O3 from Merck, Axen and ...

A simple, precise, rapid and low-cost potentiometric method for diclofenac determination in pharmaceuticals is proposed. A new diclofenac-sensitive electrode was constructed by incorporating the diclofenac ion pair complex ...