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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 ...
Experimental and theoretical investigation of corrosion inhibition effect of two piperazine-based ligands on carbon steel in acidic media
(4.02.2022)
hydroxyethyliminomethyl)
phenyl)piperazine (1) or its reduced form, 1,4-bis(2-(2-hydroxyethylaminomethyl)phenyl)piperazine
(2), as possible corrosion inhibitors, were compared to a solution containing no (1) or (2). The ...
Synthesis, characterization, crystallographic aspects, Fukui function, and photodynamic antifungal chemotherapy investigation of Cd (II)-tricyanomethanide coordination polymer: Insights from DFT
(Inorganic Chemistry Communications, 8 July 202)
This study delves into the synthesis, crystal structure, structural topology, photodynamic antifungal therapy (PACT), and DFT-based investigations of one [Cd(TCM)2]n coordination polymer (TCM = tricyanomethanide). The ...
In vitro cytotoxic effects, in silico studies, some metabolic enzymes inhibition, and vibrational spectral analysis of novel β-amino alcohol compounds
(Journal of Molecular Structure, 8 October )
In this study, an efficient single-step method for the preparation of β-amino alcohols ( 1 –3 ) in aqueous media was applied. The aim was to investigate the cytotoxic activity of Compounds 1, 2 and 3 in neu- roblastoma ...
Corrosion inhibition of Carbon Steel using a new morpholine-based ligand during acid pickling: Experimental and theoretical studies
(Inorganic Chemistry Communications, 12 Decembe)
Here, a novel, relatively inexpensive Schiff base ligand (HL) has been studied as a corrosion inhibitor for the protection of steel in acidic solution. Different concentrations (0–25 ppm) of HL were added to the test ...
