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Structurally diverse heterobimetallic Pb(II)-Salen complexes mechanistic notion of cytotoxic activity against neuroblastoma cancer cell: Synthesis, characterization, protein–ligand interaction profiler, and intuitions from DFT
(24 Septemb)
In this work, two new heterobimetallic Pb(II) complexes, namely [Zn(L1)(η1-NCS)Pb(η1-SCN)] (1) and [Cd(L2)
(η1-NCS)Pb(η1-SCN)]n (2) integrated from Salen ligands (L1/L2) in the presence of NaSCN. The title compounds
were ...
Investigation of structural, electronical and in vitro cytotoxic activity properties of some heterocyclic compounds
(19 July 20)
A series of heterocyclic compounds ( 15 ) were synthesized, characterized and tested towards two human cancer cell lines for learning their in vitro antiproliferative activities. Compound 3 demonstrated the most promising ...
Tetra-substituted phthalocyanines bearing thiazolidine derivatives: synthesis, anticancer activity on different cancer cell lines, and molecular docking studies
(5th Octobe)
In the first step, (4R)-2-(2-hydroxyphenyl)thiazolidine-4-carboxylic acid (c) and 2-(2-(3,4-dicyanophenoxy)
phenyl)thiazolidine-4-carboxylic acid (1) were prepared. Then, the peripherally tetra-substituted
metallophthalocyanines ...
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 ...
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, ...
Quantum chemical study of thiaozole derivatives as corrosion inhibitors based on density functional theory
(elsevier)
Quantum chemical and theoretical calculations were carried out in the present study of
some thiaozole derivatives. Relationship between electronic parameters of thiaozole derivatives 5-
benzylidene-2,4-dioxo tetrahydro ...
Biosorption of Rhodamine B dye from aqueous solution by Rhus coriaria L. plant: Equilibrium, kinetic, thermodynamic and DFT calculations
(Elsevier, 2023)
Water-soluble basic rhodamine B (RhB) was adsorbed onto fruit powders of Rhus coriaria L. (Anacar-
diaceae), sumac in batch reactions. Adsorption was optimized by employing concentration, pH, and time
parameters. ...
Immobilization of pectinase on chitosan-alginate-clay composite beads: Experimental, DFT and molecular docking studies
(Elsevier, 30.08.2023)
Pectinase was immobilized on chitosan-alginate-clay (CAC) beads using epichlorohydrin (ECH) as the crosslinker.
Prepared beads and immobilization product were analyzed by Fourier Transform Infrared Spectrophotometry
(FTIR) ...
Immobilization of pectinase on chitosan-alginate-clay composite beads: Experimental, DFT and molecular docking studies
(Elsevier, 27.08.2023)
Pectinase was immobilized on chitosan-alginate-clay (CAC) beads using epichlorohydrin (ECH) as the crosslinker.
Prepared beads and immobilization product were analyzed by Fourier Transform Infrared Spectrophotometry
(FTIR) ...
Removal of Erythrosine B dye from wastewater by Penicillium italicum: experimental, DFT, and molecular docking studies
(Taylor Francis, 8.03.2023)
The study involved the adsorption of Erythrosine B onto the dead, dry, and unmodified Penicillium italicum
cells and the analytical, visual, theoretical assessment of the adsorbent-adsorbate interactions. It
also included ...