The kinetics and mechanism of the radical chain reaction of the oxidation of isopropyl alcohol (IPA) and 1,4-dioxane in the presence of 10H-phenothiazin-2-yl-methanamine additives as one of the biologically active ...

Alkaloid and Flavonoid extracts of Salvia Officinalis Leaves ( AESOL and FESOL) as eco-friendly corrosion inhibitors of 817M40T Mild Steel in 0.5 M Hydrochloric acid concentrated environment was carried out. Weight loss, ...

In this paper, ab initio calculations were performed on the ternary complex formed by HB(CO)2, XCN (X = Cl, Br) and YF (Y = Li, H, Cl). In these complexes boron act as a non-classical electron donor to form a unconventional ...

The geometries and binding energies of the Na+.(CO)1-3 and Na+.(N2)1-3 have been determined at the level of the CCSD/6-311++G(d, p) method. Our results show that the mono- and di-ligated complexes have linear configurations ...

The hydrogen abstraction reaction of OH radical with CH3CH2OCF2CHF2 (HFE-374pc2) is investigated theoretically by semi-classical transition state theory. The stationary points ...

There are a number of techniques available to estimate saturated-liquid molar or specific volumes or densities of liquids. In this study, a new empirical correlation is presented to calculate volume of saturated liquids ...

Nitrobenzene (NB) has a wide range of usages as a chemical intermediate and also as a dye in printing applications. Despite its advantages, NB is harmful to human and animals and hence is an environmental pollutant. In ...

In this research, we investigated the interaction behavior of ornidazole 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* level in gas ...

Dyes in the textile industry are the most significant source of pollutants, which cause damaging effects to people's health. Reactive black 5 (RD5) is an anionic color that is currently used in the textile industry. This ...

In this study, SBA-15-PAMAM mesoporous Nano-adsorbent was synthesized, characterized and applied for adsorption of Acid dyes (Acid Blue 62 (AB62) and Acid Red 266 (AR266)) from aqueous Medias. Adsorption of AB62 and AR266 ...

Molecular dynamics simulation was used to investigate the adsorption of a typical azo dye on a graphene nanosheet (GNS). The influence of temperature on the adsorption process was studied in the temperature range of 288.15 ...

DFT calculations were used to investigate adsorptionof  F-, Cl-, Li+ and Na+ ions on the exterior surface of Mg12O12 nanocage in the gas phase and water ...

The adsorptions of some mono and polyatomic gases on graphene nanoflake surfaces are investigated. Graphene nanoflake surface has been modeled and a suitable model for the graphene surface is found among a set of 2, 4, 7, ...

Biochar is an adsorbent material widely used to remove pollutants from industrial discharges. This research focuses on the adsorption capacity of Biochar, obtained by thermal decomposition of Argan shells, to remove methylene ...

In the present research, we report the results of a systematic study on the adsorption properties of folic acid (FA) over functionalized single-walled carbon nanotubes (SWCNTs) using the various factors, such as adsorbent ...

In this study, the main objective is the preparation and the characterization of a modified Algerian bentonite based adsorbent by intercalation with hexadecyltrimethylammonium bromide (HDTMA). Natural and modified bentonites ...

Analytic expressions were derived for the compressibility factor and residual internal energy of the square-well plus Sutherland fluid. In this derivation, we used the second order Barker-Henderson perturbation theory based ...

The quantum chemical calculations were performed to investigate the interplay between the anion˗π and intramolecular hydrogen bond (IMHB) interactions in the various complexes of 1,3,5-triamino-2,4,6-trinitrobenzene (ANB) ...

ABSTRACT: In order to investigate the potential antidepressant activity of Boldine (BO), five derivatives were synthesized whose structures were confirmed by 1H-NMR and 13C-NMR. MTT assay was employed to evaluate the ...

“Malaria" is a life-threatening blood disease in tropical regions that spreads by the bite of the Anopheles mosquito. Antimalarial medications are designed to cure or prevent this infection, and prosperous achievements in ...