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Now showing items 21-30 of 47
Simulation and surface topology of activity of pyrazoloquinoline derivatives as corrosion inhibitor on the copper surfaces
(2021)
n the present study, corrosion inhibition performances of some pyrazolo [3,4-b] quinoline-3,5-dione derivatives against the corrosion of copper metal were investigated using B3LYP/6-311++g(d,p) calculation level in aqueous ...
Investigations of Hg(II) analysis in real samples via computational chemistry, experimental design, and green microextraction approach
(2021)
An economical and green nanostructured supramolecular solvent-based ultrasound-assisted homogeneous liquid- liquid microextraction procedure was developed to separate and preconcentrate Hg(II) ions in water and vegetable ...
Study on mechanical properties and microstructure for three compounds of Al-Sn-Mg ternary alloys
(Philosophical Magazine, 25 Aug 202)
In the present study, the microstructure and mechanical properties of Al-Sn-Mg ternary alloy were investigated depending on the composition. When the microstructures of the compositions of the alloy are examined, it was ...
Anisole derivatives as sustainable-green inhibitors for mild steel corrosion in 1 M HCl: DFT and molecular dynamic simulations approach
(2021)
he search for new corrosion inhibitors, inexpensive and environmentally friendly as alternatives to various harmful synthetic compounds is one of the main challenges facing the chemical industry today. Hence, this work ...
Two empirical formulae for estimating standard entropy of inorganic ionic solids and a possible connection between two associated electronic structure principles
(2021)
Two empirical formulae for estimating the standard entropies of some inorganic ionic solids are pro-posed. Linear relations are suggested between the standard entropy and the cube root of the formula unit volume as well ...
Strontium Stannate as an Alternative Anode Material for Li-Ion Batteries
(2021)
Although strontium stannate (SrSnO3) has been considered as an anode for Li-ion batteries, a deep understanding of its Li-ion transport properties remains lacking. In this work, the structural, electronic, mechanical, and ...
Synthesis, biological activity and docking calculations of bis-naphthoquinone derivatives from lawsone
(5 June 202)
Some metabolic enzyme inhibitors can be used as Multi-target-Directed-Ligands (MTDL) in Medicinal chemistry therefore, synthesis and determination of alternative inhibitors are essential. In this study, novel bisnapthoquinone ...
Synthesis of (4R)-2-(3-hydroxyphenyl)thiazolidine- 4-carboxylic acid substituted phthalocyanines: Anticancer activity on different cancer cell lines and molecular docking studies
(9 March 20)
In this study, firstly, (4R)-2-(3-hydroxyphenyl)thiazolidine-4-carboxylic acid (1)
and (4R)-2-(3-(3,4-dicyanophenoxy)phenyl)thiazolidine-4-carboxylic acid (2)
were prepared. Then, the novel type metallophthalocyanines ...
Experimental and theoretical investigation on the inhibition performance of disulfide derivatives on cobalt corrosion in alkaline medium
(2021)
Cobalt, as the barrier layer material for 14 nm copper interconnection, has been widely applied owing to its superior characteristics of low resistivity, excellent adhesion performance and blocking properties for copper. ...
Cytotoxic effect, spectroscopy, DFT, enzyme inhibition, and moleculer docking studies of some novel mesitylaminopropanols: Antidiabetic and anticholinergics and anticancer potentials
(09 October)
b-Amino alcohols (2–4) used in this study were re-synthesized in accordance with our previous study. All
compounds were characterized by the combination of NMR, UV–Vis, IR experimental and theoretical
spectral data. Then, ...