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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 Bacil-
lus subtilis biosorbent material. The presence of functional groups and surface morphology of biosor-
bent was analyzed ...
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 ...
Chemical composition, antimicrobial activities, and molecular docking studies of Turkish propolis ethanol extract
(CAAS Agricultural Journals, 2023)
The purpose of the present study was to investigate the antimicrobial effect of propolis ethanol extract collected from the Tarsus district of Mersin province, Kilis province, Yayladagi district of Hatay province in southern ...
Modeling, spectroscopic structural properties of platinum-II complexes of 2-((phenylimino)methyl)phenolate-based ligands and research of nonlinear optical, organic light emitting diode and solar cell performances
(Elsevier, 2023)
The hypothetical Pt(B1)2, Pt(B2)2 and Pt(B3)2 complexes were modeled. B1, B2 and B3 are Schiff bases, 2-((phenylimino)methyl)phenolate, 4-methyl-2-((phenylimino)methyl)phenolate and 4-nitro-2-((phenylimino)methyl)phenolate, ...
Bromination and conversion of tetrahydro-1H-indene to bisoxirane with a new approach: synthesis, structural characterization by spectroscopic and theoretical methods, and biological analysis supported by DFT and docking
(TÜBİTAK, 2023)
In this study, a new method for synthesizing diepoxides is proposed. Tetrahydroindene 1 was brominated with NBS in the presence of LiClO4 and acetic acid, resulting in the formation of dibromodiacetate derivatives 2 and ...