Browsing Kimya Bölümü Makale Koleksiyonu by Issue Date
Now showing items 21-40 of 163
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A DFT study on OH radical scavenging activities of eriodictyol, Isosakuranetin and pinocembrin
(2021)Flavonoids are natural compounds with antioxidant properties that have positive effects on human health, which reduce toxic effects of reactive oxygen species (ROS) and partially oxidative damage. In the work, the density ... -
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 ... -
Computational structure characterization, nonlinear optical properties and antitumor activities of Nickel(II) complexes containing alkoxy-derived dicyandiamide ligands
(NISCAIR, 2021)[Ni(dcda-O-Me)2] 2+ (1), [Ni(dcda-O-Et)2] 2+ (2), [Ni(dcda-O-nPr)2] 2+ (3), and [Ni(dcda-O-nBu)2] 2+ (4) complexes (dcda-O-R is dicyandiamide ligands with alkoxy-derived) have been optimized in the gas phase at ... -
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 ... -
Experimental and Computational Investigation for (E)-2-hydroxy-5-(2- benzylidene) Aminobenzoic Acid Schiff Base as a Corrosion Inhibitor for Copper in Acidic Media
(2021)The corrosion behavior of copper in 1 M HCl in the absence and presence of Hha ((E)-2-hydroxy-5-(2-benzylidene) aminobenzoic acid) has been investigated experimentally and computationally. In this way, the electrochemical ... -
Synthesis and competitive 7 Li NMR studies of two morpholine-based ligands
(Elsevier, 2021)7 Li NMR spectroscopy was used to investigation the stability, stoichiometry and thermodynamic infor- mation of a Li + complex with one known, N1-(2-morpholinoethyl)-N1-((pyridine-2-yl)methyl)propane- 1,3-diamine (A 1 ) ... -
Experimental and in silico studies of dichloro- tetrakis (1H-pyrazole)-cobalt(II): Structural description, photoluminescent behavior and molecular docking
(2021)A novel pyrazole-based Co(II) complex, namely dichloro-tetrakis(1H-pyrazole)-cobalt(II), was synthesized and characterized. Its X-ray crystal structure showed that it crystallizes in the monoclinic C 2/ c space group ... -
New anti-viral drugs for the treatment of COVID-19 instead of favipiravir
(2021)The SARS-CoV-2 virus is a major problem in the world right now. Currently, all the attention of research centers and governments globally are focused on the investigation of vaccination studies and the discovery of small ... -
Scale factor database for the vibration frequencies calculated in M06-2X, one of the DFT methods
(2021)Vibrational scale factors were determined for the M06-2X method. The calculated scale factors were supported statistically. The main objective is to determine the concordance between frequencies. Descriptive statistics ... -
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 ... -
Ultrasound-assisted supramolecular solvent dispersive liquid-liquid microextraction for preconcentration and determination of Cr(VI) in waters and total chromium in beverages and vegetables
(Elsevier, 2021)Simple, sensitive, selective and green ultrasound assisted supramolecular solvent dispersive liquid-liquid microextraction (UA–SUPRAS-DLLME) method was developed for preconcentration and determination of chromium ions in ... -
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 ... -
Feasibility of supramolecular nanosized solvent based microsyringe-assisted liquid-phase microextraction for preconcentration and separation of Vitamin B12 from infant formula, food supplement, and dairy products: Spectrophotometric analysis and chemometric optimization
(Elsevier, 2021)Here, a novel cheap and green analytical method based on supramolecular nanosized solvent based microsyringe-assisted liquid phase microextraction (SS MA LPME) was developed and validated for preconcentration and separation ... -
Ultrasound-assisted alkanol-based nanostructured supramolecular solvent for extraction and determination of cadmium in food and environmental samples: Experimental design methodology
(Elsevier, 2021)Herein, a new and green analytical method was described for extraction and determination of cadmium in food and environmental samples using ultrasound assisted alkanol-based nano structured supramolecular solvent microextraction ... -
Ultrasound-assisted alkanol-based nanostructured supramolecular solvent for extraction and determination of cadmium in food and environmental samples: Experimental design methodology
(Elsevier, 2021)Herein, a new and green analytical method was described for extraction and determination of cadmium in food and environmental samples using ultrasound assisted alkanol-based nano structured supramolecular solvent microextraction ... -
A simple and green ultrasound liquid–liquid microextraction method based on low viscous hydrophobic deep eutectic solvent for the preconcentration and separation of selenium in water and food samples prior to HG-AAS detection
(Elsevier, 2021)A simple and green ultrasound liquid-liquid microextraction method based on low viscous hydrophobic deep eutectic solvent (ULLME-LV-HDES) was proposed for the preconcentration and separation of selenium prior to HG-AAS ... -
Optimization of vortex-assisted ionic liquid dispersive liquid–liquid microextraction by experimental design prior to hydride generation atomic absorption spectrometry for determination of selenium species in food, beverage and water samples
(Elsevier, 2021)We applied novel vortex-assisted ionic liquid dispersive liquid-liquid microextraction (VA-IL-DLLME) method to preconcentration and extraction of Se(IV) ions from water, beverage and food samples. The method was optimized ... -
Ultrasound-assisted supramolecular solvent dispersive liquid-liquid microextraction for preconcentration and determination of Cr (VI) in waters and total chromium in beverages and vegetables.
(Elsevier, 2021)Simple, sensitive, selective and green ultrasound assisted supramolecular solvent dispersive liquid-liquid microextraction (UA–SUPRAS-DLLME) method was developed for preconcentration and determination of chromium ions in ... -
Experimental and theoretical investigation for the spectrophotometric determination of thiabendazole in fruit samples
(Elsevier, 2021)A simple, green, and effective vortex-assisted dispersive liquid–liquid microextraction method was developed for separation, preconcentration and spectrophotometric determination of thiabendazole in fruit samples. This ... -
Feasibility of supramolecular nanosized solvent based microsyringe-assisted liquid-phase microextraction for preconcentration and separation of Vitamin B12 from infant formula, food supplement, and dairy products: Spectrophotometric analysis and chemometric optimization
(Elsevier, 2021)Here, a novel cheap and green analytical method based on supramolecular nanosized solvent based microsyringe-assisted liquid phase microextraction (SS MA LPME) was developed and validated for preconcentration and separation ...