The study investigates the formation of inclusion complexes between emodin and two cyclodextrin derivatives: β-cyclodextrin (β-CD) and tri-O-methyl-β-cyclodextrin (TOM-β- CD). The study uses computational modeling and ...

Several strategies of treatment are put in place for wastewater treatment; if they are not expensive, they are heavy to put in place. This work aims at the preparation of ceramic membranes based on local clays (DD1 and ...

This study analyzes the chemical properties of drinking water in Guelma by evaluating essential elements. It assesses compliance with WHO and national standards using references like Rodier and Technosup. The findings ...

Cette étude explore, à partir de calculs ab initio basés sur la méthode FP-LAPW et la théorie de la fonctionnelle de la densité (DFT), l'impact du dopage au magnésium (Mg) et du co-dopage (Mg-Ti et Mg-Ce) sur les propriétés ...

Two-dimensional (2D) materials have garnered significant attention for their exceptional propertiesanddiverseapplications,particularlyinphotovoltaics,photocatalysis,andelectron- ics.Thisthesisinvestigatesthepotentialof2D ...

L'oxyde de zinc, ZnO, en tant qu'oxyde conducteur transparent, reçoit actuellement un intérêt croissant pour le développement de nouvelles applications technologiques grâce à ses excellentes propriétés physico-chimiques ...

Abstract In this work, we have calculated the structural, elastic and thermodynamic properties of SrTiO3 compound by using the density functional theory (DFT) with the Perdew-BurkeErnzerhof (PBE) methods. The elastic ...

The stability and electronic properties of gallium clusters have been studied using DFT calculations with the B3LYP-D3/6-31G(d,p) method. The adsorption properties of these clusters towards the phenytoin (Phy) molecule ...