Browsing by Author "Ruzgar, Adem"

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A Green Protocol for Simple One-Pot Synthesis of New Pyrimidine Derivatives Both Microwave Irradiation and Conventional Heating: Reactions, Characterization, and Theoretical Calculations
(Wiley, 2019) Akbas, Esvet; Ruzgar, Adem; Sahin, Ertan; Ergan, Erdem
In this research, 5-benzoyl-6-phenyl-4-(4-trifluoromethylphenyl)-2-{oxo and thioxo}-3,4-dihydro-1H-pyrimidines (1, 2) were synthesized by using multicomponent cyclocondensation reaction under microwave irradiation and classical heating. Compounds 3, 4, 6, 7, and 8 obtained reactions of 5-benzoyl-6-phenyl-4-(4-trifluoromethylphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidine (1) and acetic anhydride, diethyl 2-bromomalonate, bromoacetic acid, 3-bromopropionic acid, methyl iodide, respectively. Compound 4 was both acetylated and hydrolyzed in acetic acid to give compound 5. The structures of all compounds were determined by using spectroscopic techniques like FT-IR, H-1/C-13 NMR, and elemental analyses, and the structures of compounds 1 and 3 were analyzed by X-ray crystal analysis. In addition, the quantum chemical parameters and full geometry optimizations for all compounds were computed using density functional theory based on B3LYP and the 6-31G (d, p) basis set.
Highly Efficient and Selective One-Pot Tandem Imine Synthesis Via Amine-Alcohol Cross-Coupling Reaction Catalysed by Chromium-Based Mil-101 Supported Au Nanoparticles
(Elsevier, 2021) Gumus, Ilkay; Ruzgar, Adem; Karatas, Yasar; Gulcan, Mehmet
One-pot tandem synthesis of imines from alcohols and amines is regarded as an effective, economic and green approach under mild conditions. In this work, Au nanoparticles (NPs) dispersed on MIL-101 (Au/MIL-101) were demonstrated as highly active and selective bifunctional heterogeneous catalyst for production of various imine derivatives with excellent yields, via amine-alcohol cross-coupling reaction at 343 K in an open flask under an Ar atmosphere. Various physicochemical techniques, including inductively coupled plasma optical emission spectroscopy (ICP-OES), powder X-ray diffraction (P-XRD), X-ray photoelectron spectroscopy (XPS) transmission electron microscopy (TEM) and N2 adsorption-desorption, were used to characterize of the Au/MIL-101 catalyst. The obtained bifunctional catalyst is highly active and selective towards one-pot imine formation and exhibited the highest TOF (30.15-51.47 h(-1)) among all the ever-reported MOF-supported Au catalysts. The reaction mechanism of the imine formation from alcohol and amine over Au/MIL-101 catalyst was proposed. Mechanism experiment results demonstrate that Au NPs highly effective in activating oxidation of benzyl alcohol to benzaldehyde while the Lewis acid sites on MIL-101 catalyzed the second condensation step without interfering with the oxidation step. As a result, the excellent catalytic performance of Au/MIL-101 can be ascribed to the synergistic effect between Au NPs with Lewis acid sites in MIL-101.
Manganese Oxide Octahedral Molecular Sieves Stabilized Rh Nanoparticles for the Hydrogen Production From the Ethylenediamine-Bisborane Hydrolysis
(Pergamon-elsevier Science Ltd, 2022) Celebi, Metin; Ruzgar, Adem; Karatas, Yasar; Gulcan, Mehmet
Ethylenediamine-bisborane (C2H14B2N2, BH3NH2CH2CH2NH2BH3, EDB), an important carbon derivative of ammonia-borane (AB), has come to the fore in recent years due to some disadvantages that limit the practical use of AB for the applications of hydrogen storage. EDB is a very promising chemical hydrogen storage material in the solid crystal form at room temperature, with a hydrogen content of 16.3% by weight, which decomposes rapidly at temperatures above 363 K. Despite all these superior features, studies on catalytic systems that catalyze the hydrogen production from the EDB are very few. In the present study, we report the synthesis, characterization, and application of manganese oxide octahedral molecular sieves (OMS-2) stabilized Rh nanoparticles (Rh@OMS-2) as highly efficient and reusable catalysts for the hydrogen production from the hydrolysis of EDB. The results of characterization using P-XRD, XPS, FT-IR, SEM, SEM-elemental mapping, TEM, HR-TEM, and ICP-OES disclose that Rh (0) nanoparticles were well spread on the surface of OMS-2 nanorods. Rh@OMS-2 showed a record catalytic activity in EDB hydrolysis with an initial turn-over frequency of 102.95 min(-1) (6177 h(-1)) at 25 +/- 0.1 degrees C, the highest value ever reported for the hydrolysis of EDB. In addition, the fact that the Rh@OMS-2 catalyst kept its initial activity at the end of the 7th cycle in the hydrolysis of EDB showed that the Rh@OMS-2 was reusable and stable heterogeneous catalyst in this catalytic transformation. (c) 2022 Hydrogen Energy Publications LLC. Published by Elsevier Ltd. All rights reserved.
Metal-Organic Framework Mil-101 as an Efficient Heterogeneous Catalyst for Clean Synthesis of Benzothiazoles and Single Crystal X-Ray Diffraction, Quantum Chemical Studies, Electrochemical Performance, Molecular Docking and Dna Interactions
(Wiley-V C H Verlag Gmbh, 2025) Akbas, Esvet; Ruzgar, Adem; Sahin, Ertan; Levent, Abdulkadir
Benzothiazoles have emerged as a prominent area of research in recent years due to their broad spectrum of biological activities. These heterocyclic compounds, which contain thiazole and benzene rings in their molecular structure, exhibit a wide range of pharmacological effects, including anticancer, antimicrobial, antifungal, antiparasitic, anti-inflammatory, and antitubercular activities. In this study, benzo[d]thiazole derivatives 1 and 2 were synthesized in good yield using catalyst MIL101. The structures of these compounds were analyzed using elemental analysis, IR, 1H, 13C NMR and single crystal X-ray diffraction. The quantum chemical calculations of these compounds were performed density functional theory method, DGDZVP base set and B3LYP functions with Gaussian09W software package. The electrochemical properties of these compounds were investigated by cyclic voltammetry technique on a glassy carbon electrode. In addition, the interactions of the compounds with DNA were investigated by electrochemical, spectrophotometric and molecular docking techniques. It was observed that the chemical calculations and molecular docking results were compatible with each other.
Palladium (0) Nanoparticles Distributed on Lanthanum (Iii) Oxide as an Effective Catalyst for the Methanolysis of Hydrazine-Borane To Produce Hydrogen
(Tubitak Scientific & Technological Research Council Turkey, 2024) Ruzgar, Adem; Sener, Lokman; Karatas, Yasar; Gulcan, Mehmet
Pd (0) nanoparticles (NPs) distributed on lanthanum (III) oxide were ex situ generated from the reduction of Pd2+ ions using NaBH4 as reducing agent. The Pd/La2O3 displayed good catalytic activity in H2(g) releasing from the hydrazine-borane (HB) methanolysis reaction and it was identified by advanced techniques. Pd/La2O3 was found to be an active catalyst procuring three equiv. H2(g) per mole of HB. The results from TEM images represent the formation of Pd (0) NPs with an average particle size of 1.94 +/- 0.1 nm on the surface of La2O3. Moreover, Pd/La2O3 with various Pd loadings were prepared and tested as catalyst in the methanolysis reaction to find the optimum metal loading on La2O3 support. The highest H2 formation rate was achieved with 3.0 wt% Pd. Pd/La2O3 catalyst exhibited a turnover frequency (TOF) value of 24.4 mol H2 mol Pd-1 min-1 in the reaction conditions. Additionally, the effect of different catalyst concentrations and temperatures on the reaction kinetics for the methanolysis of HB catalyzed by Pd/La2O3.
Synthesis and Characterization of a Nanocatalyst Consisting of Tungsten (Vi) Oxide and Ruthenium for Potential Use in the Hydrogen Generation Via Hydrolysis of Methylamine-Borane
(Elsevier Science Sa, 2024) Ruzgar, Adem; Yurderi, Mehmet; Karatas, Yasar; Gulcan, Mehmet; Zahmakiran, Mehmet
The demand for effective and safe chemical storage systems as an alternative energy carrier is unabated. This study reports the analysis of methylamine-borane (MeAB) as a new, efficient, and widely applicable technological storage material for mobile applications. Here, we report the preparation of tungsten (VI) oxide (WO3) supported ruthenium (Ru) nanoparticles (Ru/WO3) by impregnation-reduction method and their use as a nanocatalyst in the hydrolysis of MeAB for hydrogen (H-2) production. Ru/WO3 nanocatalyst was characterized by a combination of advanced analytical tools such as XRD, XPS, TEM, TEM-EDX, SEM, and SEM-EDX. Ru/WO3 nanocatalyst, with an average particle size of 2.16 +/- 0.23 nm obtained from TEM analysis, produces H-2 at 298 K with an initial turnover frequency (TOFinitial) value of 43.57 min(-1) in complete conversion in the hydrolysis of MeAB. In addition, the activation energy (E-a(#)), activation enthalpy (Delta H-#) and activation entropy (Delta S-#) values of the Ru/WO3 nanocatalyst were calculated as in MeAB hydrolysis are 51.54 kJ/mol, 3.7 kJ/mol and 184.57 J/mol x K, respectively, from the Arrhenius and Eyring-Polanyi equations. It was concluded that both the calculated TOFinitial value and activation parameters were quite valuable compared to previous catalysts used for MeAB hydrolysis.
Synthesis and Characterization of Pd0 Nanoparticles Supported Over Hydroxyapatite Nanospheres for Potential Application as a Promising Catalyst for Nitrophenol Reduction
(Cell Press, 2023) Ruzgar, Adem; Karatas, Yasar; Gulcan, Mehmet
Nitrophenols, which are defined as an important toxic and carcinogenic pollutant in agricultural and industrial wastewater due to their solubility in water, form of resistance against all organisms in water resources. It is vital that these compounds, which are highly toxic as well as highly explosive, are removed from the aquatic ecosystem. In this paper, we reported the preparation and advanced characterization of Pd0 nanoparticles supported over hydroxyapatite nanospheres (Pd0@nano-HAp). The catalytic efficiency of the Pd0@nano-HAp catalyst was examined in the reduction of nitrophenols in water in the presence of NaBH4 as reducing agent and the great activity of catalyst have been specified against 2-nitrophenol, 4-nitrophenol, 2,4-dinitrophenol and 2,4,6-trinitrophenol compounds with 70.6, 82.4, 27.6 and 41.4 min-1 TOFinitial values, respectively. Another important point is that the Pd0@nano-HAp catalyst has perfect reusability performance (at 5th reuse between 68.5 and 92.8 %) for the reduction of nitrophenols. In addition, catalytic studies were carried out at different temperatures in order to determine thermodynamic parameters such as Ea, Delta H/= and Delta S/=.
Synthesis of the 3,5-Diphenyl and Cytogenetic and Oxidative Alterations After Exposure of Cultured Human Whole Blood Cells
(Taylor & Francis As, 2017) Akbas, Esvet; Celikezen, Fatih Caglar; Turkez, Hasan; Ozdemir, Ozlem; Ruzgar, Adem; Ergan, Erdem; Sahin, Ertan
The 3,5-diphenyl-1H-pyrazole was obtained by condensation reaction of dibenzoylmethane and thiosemicarbazide in acetic acid under conventional heating and microwave irradiation method. The structure of the 3,5-diphenyl-1H-pyrazole confirmed by IR, H-1, and C-13 NMR and X-ray diffraction and the geometry optimization was carried out using density functional theory (DFT) methods at B3LYP/6-31G, 6-31G(d), 6-31G(d, p), 6-311G(d, p), 6-311G(2d, 2p), 6-31+G(d, p), 6-311++G(d, p) levels. In addition, cytotoxic and oxidative effects were investigated in cultured human peripheral blood cells.
Synthesis, Dft Study and the Eschenmoser Sulfide Contraction of 1,2,3,4-Tetrahydropyrimidine Derivatives
(Chem Soc Pakistan, 2017) Akbas, Esvet; Erdogan, Ahmet; Ergan, Erdem; Gulcan, Mehmet; Ruzgar, Adem
5-Substituebenzoyl-4-aryl-6-substituephenyl-1,2,3,4-tetrahydro-2-(thioxo, oxo and imino) pyrimidines (4a-d) were synthesized via multicomponent cyclocondensation reaction. 7-Benzoyl- 8-phenyl-6-(4-carboxyphenyl)-2,3-dihydropyrimido[2,1-b][1,3] thiazin-4(6H)-one (5), 6-benzoyl- 2-methyl-7-phenyl-5-(4-carboxyphenyl)-3-oxo-2,3-dihydro-5H-thiazolo[ 3,2-a] pyrimidine (6) and 6-benzoyl-7-phenyl-5-(4-carboxyphenyl)-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a] pyrimidine (7) were synthesized via reactions of starting compound 4e [1] and appropriate reagent compounds. When 4e was treated with alpha-bromoester in 1,4-dioxane (1/10 mL) it was resulted like the Eschenmoser sulfide contraction and compounds 8 was obtained. This method generally requires tertiary phosphine but instead of it we used pyridine as a catalyst. In addition, all synthesized pyrimidine derivatives have been optimized geometrically with DFT in Gaussian at the B3LYP/6-31G(d, p) level in order to obtain information about the 3D geometries and electronic structures.