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Now showing items 11-20 of 24
Computational design and characterization of platinum-II complexes of some Schiff bases and investigation of their anticancer–antibacterial properties
(Wiley, June 2022)
Pt(L1)2-, Pt(L2)2-, and Pt(L3)2-type four-coordinated hypothetical platinum-II
complexes were designed and characterized computationally. Where L1, L2,
and L3 are the Schiff base anions as 2-((ethylamino)methyl)-6-meth ...
Potential thiosemicarbazone-based enzyme inhibitors: Assessment of antiproliferative activity, metabolic enzyme inhibition properties, and molecular docking calculations
(Wiley, 2022)
A new series of thiosemicarbazone derivatives (1–11) were prepared from various aldehydes and isocyanates with high yields and practical methods. The structures of these compounds were elucidated by Fourier transform ...
A new 3-substituted BODIPY dye: Synthesis, crystal structure, photophysical, non-linear optic and OLED properties
(Elsevier, 15 March 2)
A BODIPY derivative (compound 2), substituted with 4-nitrophenyl at the meso position and its 3-pyrrole substituted derivative (compound 3) were synthesized and characterized. The structure of compound 3 was elucidated by ...
Potential thiosemicarbazone-based enzyme inhibitors: Assessment of antiproliferative activity, metabolic enzyme inhibition properties, and molecular docking calculations
(Wiley, 2022)
A new series of thiosemicarbazone derivatives (1–11) were prepared from various aldehydes and isocyanates with high yields and practical methods. The structures of these compounds were elucidated by Fourier transform ...
Analysis of boronic acids containing amino ferrocene by DFT approach and in silico studies
(Elsevier, 2023)
The synthesized (2)-(6) complexes and (2′)-(6′) hypothetical complexes formed by attached boranic acid esters were optimized at the DFT-B3LYP/GEN level. The structural and spectroscopic properties (IR, 1HNMR , 13CNMR ) of ...
In Silico and In Vitro Studies of Novel Azomethines on DNA Repair Genes in Gastric Cell Lines
(MDPI, 2023)
We herein report the determination of the cytotoxic activity and expression profiles of some DNA repair genes of newly synthesized azomethines in the gastric cancer cell line (AGS). The studied novel compounds were synthesized ...
Equilibrium and Computational Chemical Modelling Studies for the Removal of Methyl Orange and Methyl Red Dyes from Water Using Modified Silica Resin
(Taylor & Francis, 2023)
This study describes the removal of methyl orange (MO) and methyl red (MR) dyes from water samples using morpholinomethylcalix[4]arene immobilised silica (MIS) resin. The silica surface has been modified by p-morpholinom ...
Equilibrium and DFT modeling studies for the biosorption of Safranin O dye from water samples using Bacillus subtilis biosorbent.
(Elsevier, 2023)
Current study deals with the biosorption of Safranin O dye from water by using high potential Bacillus subtilis biosorbent material. The presence of functional groups and surface morphology of biosorbent was analyzed by ...
A series of phenanthroline-imine compounds: Computational, OLED properties and fluorimetric sensing of nitroaromatic compounds.
(Elsevier, 2023)
In this study, Schiff base compounds (1–5) were synthesized by the reaction of 5-amino-1,10-phenanthroline with various aldehydes. The molecular structures of the synthesized compounds were characterized by FT-IR, 1H/13C ...
Investigation of substituent effect on rhenium complexes by DFT methods: Structural analysis, IR spectrum, quantum chemical parameter, NLO and OLED properties, molecular docking
(Elsevier, 2023)
For the synthesized 9b, 9c and 9d complexes, hypothetical complexes were formed by adding electron-withdrawing (NO2) and electron-donating (NH2) groups. Benchmark analysis was performed using the bond lengths of the ...