It has recently been shown that nitrogen radicals electrochemically deposited on carbon nanotube paper can catalyze reactions at the cathode of fuel cells. Density functional theory (DFT) is used to show that O2 and HO2 could adsorb on nitrogen radicals such as N2-, N4-, and N8-....
Open access
Research Article10.9734/IRJPAC/2016/27627
A suggested procedure was studied for recovering of uranium selectively from the Abu Zaabal impure phosphoric acid assaying about 46% P2O5 and about 3% iron. This procedure involves the application of an alcoholic precipitation step for most impurities by using isopropyl alcohol...
Open access
Research Article10.9734/IRJPAC/2016/27448
Millet starch (MS) was extracted from millet grains and modified using a physical method (pre-gelatinization). The corrosion inhibition effectiveness of millet starch on mild steel corrosion in 0.5 M H2SO4 solution was investigated using weight loss measurement, potentiodynamic p...
Open access
Research Article10.9734/IRJPAC/2016/27881
Sorption studies of copper (II) phthalocyanine tetrasulfonic sodium acid (CuPc) was done using a batch method with TiO2 powder as the adsorbent, and several variables such as initial concentration of the dye, contact time and TiO2 loading was determined. The sorption data were an...
Open access
Research Article10.9734/IRJPAC/2016/26179
In this study the reactivity of 3-nitrofuran acting as electrophile in their reactions with different dienes, was analyzed in theoretical form. Specifically, the mechanism of each DA reaction was explored. Moreover, considering the polar character of this type of cycloaddition re...
Open access
Research Article10.9734/IRJPAC/2016/27380
Aims: To synthesize some isoniazid-derived imines by the condensation of isoniazid (INH) with some substituted benzaldehydes as well as pyridine carboxaldehydes and to determine their structures by spectroscopic methods. Methodology: Isoniazid was mixed with equimolar amounts of...
Open access
Research Article10.9734/IRJPAC/2016/27100
A portion of neem oil was epoxidized using per acid generated in-situ. Polyesterification of crude neem oil (CNO) and epoxidized neem oil (ENO) was carried out using glycerol and phthalic anhydride to synthesize two different alkyd resins; crude neem oil modified alkyd resin (CNO...
Open access
Research Article10.9734/IRJPAC/2016/26098
This study is aimed at preparing collagen fiber from cow hide and to utilize it as cheap, effective and alternative adsorbent against the more expensive and relatively less effective techniques for the removal of Cu(II) ion from aqueous solution and to find a suitable pH, equilib...
Open access
Research Article10.9734/IRJPAC/2016/23392
Although Emodin is a well-known natural antioxidant, not much is documented on how the cleavage of its free O-H bond (non-hydrogen bond donor) is affected by solvation. Herein, we report on a Density Functional Theory (DFT) study of solvent effects on the enthalpy of homolytic an...
Open access
Research Article10.9734/IRJPAC/2016/27385
In this letter, through computational study based on density functional theory (DFT/B3LYP) using basis set 6-31G (d,p) a number of global and local reactivity descriptors were computed to predict the reactivity and the reactive sites on the molecules. The molecular geometry and t...
Open access
Research Article10.9734/IRJPAC/2016/27066