Yazar "Sahin, O." seçeneğine göre listele

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    4-hydroxy-2H-1,2-benzothiazine-3-carbohydrazide 1,1-dioxide-oxalohydrazide (1:1): X-ray structure and DFT calculations
    (Pleiades Publishing Inc, 2013) Arshad, M. N.; Sahin, O.; Zia-ur-Rehman, M.; Khan, I. U.; Asiri, A. M.; Rafique, H. M.
    The title compound, 4-hydroxy-2H-1,2-benzothiazine-3-carbohydrazide 1,1-dioxide-oxalohydrazide (1:1), is determined using X-ray diffraction techniques and the molecular structure is also optimized at the B3LYP/6-31G(d,p) level using density functional theory (DFT). The asymmetric unit consists of four independent molecules. The oxalohydrazide molecules have the centre of symmetry at the mid-point of the central C-C bond. Each thiazine ring adopts a half-chair conformation. Intermolecular C-H...O, N-H...O and N-H...N hydrogen bonds produce R (2) (2) (10), R (2) (2) (13), R (3) (3) (12) and R (3) (3) (15) rings, which lead to one-dimensional polymeric chains. An extensive three-dimensional supramolecular network of N-H...N, N-H...O, C-H...O and O-H...O hydrogen bonds is responsible for crystal structure stabilization.
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    Dichlorotriethylphosphine-[N-formyl-N,N'-bis(3,4-dimethoxy)benzyl-trimethylenediamine] platinum(II)
    (Pleiades Publishing Inc, 2014) Sahin, O.; Ozcan, E. O.; Gurbuz, N.; Ozdemir, I.; Buyukgungor, O.
    By treatment of 1,3-bis(3,4-dimethoxybenzyl)-3,4,5,6-tetrahydropyrimidinium chloride (1) with KOBu (t) and [PtCl2(PEt3)(2)](2) N-coordinated platinum complex (2) is obtained. The Pt atom is coordinated in square planar arrangements by two chloride ions in a trans-configuration, the N-formyl-N,N'-bisaryltrimethylenediamine nitrogen atom, and the phosphine P atom. An extensive three-dimensional network of three C-HaEuro broken vertical bar O hydrogen bonds, two C-HaEuro broken vertical bar pi and one pi aEuro broken vertical bar pi interactions are responsible for the crystal stabilization. Intermolecular hydrogen bonds and C-HaEuro broken vertical bar pi interactions produce R (2) (2) (6), R (2) (2) (22), R (2) (2) (24), R (3) (3) (23), R (4) (4) (26), and R (4) (4) (32) rings.
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    Guaiacol Substituted AzaPCs: A Novel Synthesis Method and Investigation of Photophysical Properties
    (Pleiades Publishing Inc, 2018) Kantar, G. K.; Kaya, M.; Sahin, O.; Sasmaz, S.
    AzaPCs containing tetra- and octaguaiacol moieties have not been investigated up to now. In this study, an unusual method is used for the synthesis of metalloAzaPCs (M: Zn, Co, Cu) containing guaiacol moieties. All compounds are characterized by a combination of FT-IR, H-1 NMR, C-13 NMR, mass and UV/vis spectroscopy techniques. The molecular structure of starting pyrazine compounds 1 and 2 is also determined by the single crystal X-ray diffraction technique. The aggregation behavior of new Zn(II) AzaPCs is investigated in DMSO at different concentrations. The fluorescence properties of Zn(II) AzaPCs are investigated in different solvents. The fluorescence quantum yields of Zn(II) AzaPCs are calculated in DMSO.
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    Lanthanide Complexes with Pyridine-2,6-Dicarboxylic Acid: Synthesis, Crystal Structure, Thermal and Magnetic Properties of [LnPDA)2(PDAH2)] • (DMAH2)2(DMAH0.5)2
    (Pleiades Publishing Inc, 2016) Sharif, S.; Khan, B.; Sahin, O.; Khan, I. U.
    Mild solvothermal synthesis, structures, thermal and magnetic properties of coordination complexes [Ln(PDA)(2)(PDAH(2))] center dot (DMAH(2))(2)(DMAH(0.5))(2)(I-IV) (PDA = pyrdine-2,6-dicarboxylate anion, DMAH = dimethylamine, Ln = Ce, Nd, Sm, and Ho) are described. The DMAH molecules in I-IV, generated in situ from hydrolysis of N,N-dimethylformamide, are responsible to assemble three dimensional coordination polymers through N-H center dot center dot center dot O and C-H center dot center dot center dot O hydrogen bonds. Distorted tricapped trigonal prismatic LnO(6)N(3) geometry having 14 triangular faces is attributed to mean deviation of dihedral angles while nitrogen shows fairly triangular faces having dihedral angle close to 60 degrees C (CIF files CCDC nos. 872065 (I), 872070 (II), 872069 (III), and 872066 (IV)). Curie-Weiss law and the overall magnetic behavior are typical for the presence of antiferromagnetic exchange coupling interactions between lanthanide. Thermal decomposition analyses reveal removal of ammonia and resultant complexes showthermal stability. Complexes have been further characterized by using elemental analyzer and FT-IR spectroscopy.
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    Spectral Characterization, Antioxidant, Antibacterial Activity, and Molecular Dynamics Simulation of a New Bis-benzimidazole Molecule, 1,5-Bis(1H-benzimidazol-2-yl)pentan-3-one
    (Maik Nauka/Interperiodica/Springer, 2024) Karakurt, T.; Tavman, A.; Sahin, O.; Colak, D. N.; Karacelik, A. A.
    Objective: Bis-benzimidazoles are an interesting class of compounds due to their chelating characteristics, various biological effects, and fluorescence properties. Methods: In this research, a new symmetric bis-benzimidazole derivative including a ketone group, 1,5-bis(1H-benzimidazol-2-yl)pentan-3-one (PBB), was synthesized and characterized. Antibacterial activity of PBB was tested against Gram-negative and Gram-positive bacteria. The total antioxidant capacity (as TEAC value) and free radical scavenging activity of (PBB) was determined by ferric reducing antioxidant power (FRAP) and 1,1-diphenyl-2-picrylhydrazyl (DPPH) methods. Molecular modeling methods have been conducted in order to study the relationship between electronic characteristics and antioxidant activity. Results and Discussion: Molecular modelling techniques and approaches were used to ensure that (PBB) synthesized in this study could be a reliable drug-like ligand, ligand-protein interactions were studied in detail with molecular dynamic (MD) simulation techniques applied at the molecular level, and trajectory analyses after MD were discussed. The total antioxidant capacity (as TEAC value) and free radical scavenging activity results revealed that (PBB) has a moderate inhibition with a SC50 = 1.8686 +/- 0.0030 mg/mL value and the FRAP value is 108.89 +/- 1.92 mu M TEAC. Conclusions: According to the molecular modelling calculations, the antioxidant and antibacterial activities of (PBB) result from the electrophilic and nucleophilic interactions of its electron-rich C=N nitrogen atoms and electron-withdrawing carbon atoms adjacent to the C=O group with the proteins of the target molecules.
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    Synthesis, Crystal Structures of Gadolinium(III) and Erbium(III) Complexes Derived from Pyridine-2,6-Dicarboxylic Acid and Fluorescent Sensing of Picric Acid
    (Pleiades Publishing Inc, 2021) Sharif, S.; Zaheer, S.; Mumtaz, M. W.; Sahin, O.; Ahmad, S.; Zulfiqar, S.; Adnan, A.
    Two new complexes of gadolinium(III) and erbium(III) with pyridine-2,6-dicarboxylic acid (H(2)Pydc),{Na-3[Gd(Pydc)(3)]center dot 2H(2)O}(n) (I) and [Er(HPydc)(3)]center dot 10H(2)O (II), were prepared and their crystal structures were determined by X-ray crystallography (CIF files CCDC nos. 940633 (I) and 872068 (II)). The gadolinium atom in I is nine-coordinate (GdN3O6) and exhibits a tricapped trigonal prismatic geometry having 14 triangular faces. The Pydc ligand adopts chelating and, mu(3)- and mu(5)-bridging coordination modes. The 1D chains are further joined by Na atoms to generate a 3D coordination polymer. The structure is additionally stabilized by H-bonding. The Erbium polyhedron in II is also a tricapped trigonal prism (ErN3O6). The HPydc anions in II behave as tridentate chelating ligands. The complex molecules are connected to each other through hydrogen bonding interactions to form a three-dimensional network. Fluorescence titration experiments for complex II displayed highly sensitive fluorescence quenching efficiency of 98.3% against picric acid.