Browsing Kimya Bölümü Makale Koleksiyonu by Title
Now showing items 83-102 of 163
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Half-inverse problems for the quadratic pencil of the Sturm–Liouville equations with impulse
(2021)In this paper, we consider the inverse spectral problem for the impulsive Sturm–Liouville differential pencils on [0, π] with the Robin boundary conditions and the jump conditions at the point 𝜋������ 2 . We prove ... -
Halogens effect on spectroscopy, anticancer and molecular docking studies for platinum complexes
(Elsevier, Ekim 2021)Pt(dpb)Cl, Pt(Fdpb)Cl, Pt(F2dpb)Cl and Pt(dpb)I complexes are examined by computational chemistry method in all aspects. Hartree-Fock (HF) and Density Functional Theory (DFT) methods at B3LYP and M062X level of functions ... -
Improved carbon steel corrosion characteristics in static and hydrodynamic HCl media by two novel N2O2 ligands: Experimental and theoretical studies
(2023)Background: Expanding the use of carbon steel in various industrial operations is always associated with challenges due to many engineering factors in the selection of materials. However, carbon-steel corrosion is a ... -
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 ... -
Influence of some crosslinkers on the swelling of acrylamide-crotonic acid hydrogels
(1997)Acrylamide-crotonic acid hydrogels in the form of rods are prepared by ?-irradiation of quaternary mixtures of acrylamide-crotonic acid-crosslinker-water with 2.6 and 5.2 kGy ?-rays. The influence of the applied dose, the ... -
The investigation of corrosion inhibition efficiency on some benzaldehyde thiosemicarbazones and their thiole tautomers: Computational study
(ELSEVIER SCIENCE BV, 2015)Quantum chemical calculations using three methods, Hartree-Fock (HF), Moller-Plesset (MP) and density functional theory (DFT/B3LYP) method with SOD, 6-31G(d,p) and 6-31++G(d,p) basis sets are performed some benzaldehyde ... -
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 ... -
Investigation of the applicability of fatty acid-based deep eutectic solvent based air assisted liquid liquid microextraction for the rapid determination and extraction of butylparaben in cosmetic products
(2022)In this research paper, fatty acid-based deep eutectic solvents (FA-DESs) were prepared and investigated for the extraction of butylparaben (BP) from cosmetic products by air assisted liquid liquid microextraction (AA-DLLME). ... -
Investigations of Hg(II) analysis in real samples via computational chemistry, experimental design, and green microextraction approach
(Elsevier, 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 ... -
Investigations of Hg(II) analysis in real samples via computational chemistry, experimental design, and green microextraction approach
(Elsevier, 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 ... -
Investigations of structural, spectral (IR, 1H‑, 9F‑, 11B‑, 13C‑, 15 N‑, 17O‑NMR) and anticancer properties of 5FU@B12N12 complexes
(2021)B12N12 nanocage was selected as a drug carrier for 5-fluorouracil (5FU). Both compounds were optimized B3LYP/6– 31 + G(d) level in the water. Electrophilic/nucleophilic attack regions and the appropriate interaction sites ... -
Investigations substituent effect on structural, spectral and optical properties of phenylboronic acids
(2021)Ortho- and para-substituent arylboronic acid are investigated. Geometric structure and structural proper- ties of these compounds are done. IR and NMR spectrum are calculated for the spectral characterizations. Contour ... -
Investigations substituent effect on structural, spectral and optical properties of phenylboronic acids
(ELSEVIER, 2021)Ortho- and para-substituent arylboronic acid are investigated. Geometric structure and structural proper ties of these compounds are done. IR and NMR spectrum are calculated for the spectral characterizations. Contour ... -
In–Vitro Anticancer and Antibacterial Activities of Brominated Indeno[1,2-b]qinoline Amines Supported with Molecular Docking and MCDM
(chemistry europe, nisan 2021)The present study describes mono substituted indeno[1,2-b]quinolines (3 a–c and 5) have much more antiproliferative potentials than positive controls against A549, HeLa, MCF7 and Hep3B cell lines (IC50 values 1.1–29.6 μg/mL) ... -
Ionic hydrophobic deep eutectic solvents in developing air-assisted liquid-phase microextraction based on experimental design: Application to flame atomic absorption spectrometry determination of cobalt in liquid and solid samples
(Elsevier, 2021)This paper reports a new and simple microextraction procedure for cobalt determination using green ionic hydrophobic deep eutectic solvent in developing air-assisted liquid-phase microextraction and flame atomic absorption ... -
Ionic hydrophobic deep eutectic solvents in developing air-assisted liquid-phase microextraction based on experimental design: Application to flame atomic absorption spectrometry determination of cobalt in liquid and solid samples
(Elsevier, 2021)This paper reports a new and simple microextraction procedure for cobalt determination using green ionic hydrophobic deep eutectic solvent in developing air-assisted liquid-phase microextraction and flame atomic absorption ... -
Lignin grafted hydroxyapatite entrapped in polyacrylamide: Characterization and adsorptive features for Th4+ and bovine serum albumin
(Elsevier, 2022)Water-soluble sulfolignin (SL) was grafted onto hydroxyapatite (Hap) by using epichlorohydrin. SLgHap was then entrapped in cross-linked polyacrylamide by in situ polymerizations of acrylamide and N, N′ -methylenebisacrylamide ... -
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, ... -
Molecular docking and A DFT study on the antiradical activity of naringenin and hesperetin with nitric oxide, peroxy, and methoxy radicals
(2023)Naturally occurring flavonoids, naringenin (N) and hesperetin (H), weretheoretically investigated for their ability to scavenge nitric oxide, peroxy,and methoxy radicals in gas, water, and benzene solvent ... -
Molecular insights into the corrosion inhibition mechanism of omeprazole and tinidazole: a theoretical investigation
(2023)In many studies published in recent years, corrosion scientists proved that various drug molecules can exhibit high inhibition performance against the corrosion of metal surfaces and alloys. This study presents the adsorption ...