Synthesis, Quantum Chemical Calculations and Molecular Docking Studies, Biological and Anion Sensor Properties of (E)-4-[(4-ethoxy-phenylimino)methyl]-2-methoxyphenol

We report the synthesis and characterization, biological activity, DNA binding, colorimetric anion sensor properties, computational (HF) and molecular docking studies of a novel Schiff base (E)-4-[(4-ethoxyphenylimino)methyl]-2-methoxyphenol. The molecular structure of the title compound was experimentally determined using spectroscopic data and was compared to the structure predicted by theoretical calculations using density functional theory (DFT). In addition, atomic charges, molecular electrostatic potential (MEP), nonlinear optical (NLO) effects, the potential energy surface (PES) scans about two important torsion angles and thermodynamic properties of the title compound were predicted using DFT. The antimicrobial activity of the compound was investigated for minimum inhibitory concentration. UV-Vis spectroscopy studies of the interactions between the compound and calf thymus DNA (CT-DNA) showed that the compound interacts with CT-DNA via intercalative binding. The colorimetric response of the Schiff base receptors in DMSO was investigated. The most discernable color change in the Schiff base was caused by CN−, which demonstrated that the ligand can be used to selectively detect CN−. This work is licensed under a Creative Commons Attribution 4.0 International License

The secondary transfer effects of contact in facilitating peace in a frozen conflict: The case of Turkish immigrants in Cyprus

The present research focuses on the secondary transfer effect of contact, a relatively less researched dimension of intergroup contact, on reconciliation in the context of one of the most intractable and longest surviving interethnic conflicts in Europe, the Cyprus conflict. Currently, Cyprus is home to three groups with differential social, economic and political statuses: (1) disadvantaged low‐status Turkish immigrants, (2) simultaneously advantaged (relative to Turkish immigrants) and disadvantaged (relative to Greek Cypriots) Turkish Cypriots and (3) historically advantaged high‐status Greek Cypriots. Across two studies (Study 1 N = 270 and Study 2 N = 501), we test whether and how Turkish immigrants’ contact with Turkish Cypriots shapes Turkish immigrants' support for reconciliation and willingness to live with Greek Cypriots via attitude generalisation. We also investigate whether Turkish immigrants’ perceived ingroup reputation qualifies this process. Controlling for the effects of direct contact with Greek Cypriots, our results show that both quantity and quality of contact with proximal Turkish Cypriots were indirectly associated with greater support for reconciliation with them and more willingness to live with Greek Cypriots via positive attitudes towards the primary (Turkish Cypriots) and positive attitudes towards the secondary (Greek Cypriots), sequentially. Moreover, we found that the perceived higher ingroup reputation across the island positively moderated the indirect effects of primary group contact on support for reconciliation and willingness to live with Greek Cypriots. That is, more contact with the primary outgroup was positively linked to greater support for reconciliation with the distal secondary outgroup Greek Cypriots when perceptions of ingroup reputation were higher

Determination of some ecological characteristics and economical importance of Vitex agnus-castus

This study was conducted in order to exhibit some of the ecological and economical attributes of Vitex agnus-castus, a typical Mediterranean plant. The study was conducted in two different stages. At first, soil samples of V. agnus-castus were collected from 38 different localities in the Western Anatolian part of Turkey during flowering to investigate the soil properties. It was observed that this plant generally prefers loamy-textured, neutral, and slightly alkaline soils poor in calcium carbonate, containing varying amounts of organic matter, moderate and rich in nitrogen, rich in phosphorus and deficient in potassium. In addition, the economical and ethnobotanical importance of V. agnus-castus was investigated. It was observed that the species is widely used as a pharmaceutical drug, as a dye plant, as a source of honey, as a material in basket weaving, and for ornamental use. It is used in landscape architecture because it is a shrub with beautiful flowers and aroma

Synthesis, structure, spectroscopic (FT-IR) and density functional modelling studies of 1-[(4-ethoxyphenylimino)methyl]napthalene-2-ol

Synthesis, crystallographic characterisation, spectroscopic (Fourier transform infrared spectroscopy [FT-IR]) and density functional modelling studies of the Schiff base 1-[(4-ethoxyphenylimino)methyl]napthalene-2-ol (C19H17NO2) have been reported. The molecular structure obtained from X-ray single-crystal analysis of the investigated compound in the ground state has been compared using Hartree-Fock and density functional theory (DFT) with the 6-311++G(d,p) basis set. In addition to the optimised geometrical structures, atomic charges, molecular electrostatic potential, natural bond orbital, non-linear optical (NLO) effects and thermodynamic properties of the compound have been investigated by using DFT. The experimental (FT-IR) and calculated vibrational frequencies (using DFT) of the title compound have been compared. The solvent effect was also investigated for obtained molecular energies and the atomic charge distributions of the compound. There exists a good correlation between experimental and theoretical data for enol-imine form of the compound. The total molecular dipole moment (µ), linear polarisability (?), and the first-order hyperpolarisability (ß) were predicted by the B3LYP method with different basis sets 6-31G(d), 6-31+G(d,p), 6-31++G(d,p), 6-311+G(d) 150 and 6-311++G(d,p) for investigating the effects of basis sets on the NLO properties. Our computational results yield that ßtot for the title compound is greater than those of urea. © 2014 Taylor & Francis.Türkiye Atom Enerjisi KurumuaDepartment of Training and Application, Ankara Nuclear Research and Training Center, Turkish Atomic Energy Authority, Besevler-Ankara, Turkey; bDepartment of Physics, Faculty of Sciences and Arts, University of Aksaray, Aksaray, Turkey; cDepartment of Chemistry, Faculty of Sciences and Arts, C¸ anakkale Onsekiz Mart University, C¸ anakkale, Turkey; dDepartment of Physics, Faculty of Sciences, University of Ankara, Besevler-Ankara, TurkeyThis work was supported by the State of Planning Organization [grant number 2010K120480]

Synthesis, Characterization and Applications of (E)-3-((5-bromo-2-hydroxy-3-methoxycyclohexa-1,3-dienyl) methyleneamino)-6-(hydroxymethyl)-tetrahydro-2H-pyran-2,4,5-triol

We present the synthesis, characterization, biological and sensing applications of a Schiff base, (E)-3-((5-bromo-2-hydroxy-3-methoxycyclohexa-1, 3-dienyl)methyleneamino)-6-(hydroxymethyl)-tetrahydro-2H-pyran-2,4,5-triol. Characterization of the title compound was carried out using theoretical quantum-mechanical calculations and experimental spectroscopic methods. The molecular structure of the title compound was confirmed using NMR and FTIR, which was in good agreement with the structure predicted by the theoretical calculations. The title compound was evaluated for its ability to detect anions in DMSO and on a solid surface and for its antimicrobial activity against several common microorganisms

Mimarlık Planlama ve Tasarım Alanında Uluslararası Araştırmalar V

&nbsp;Buçalışmada 1960’lardaki bir kamu kurumu bünyesinde inşaedilen lojman yapıları incelenmiştir.Bu bağlamda Kayseri’nin Osman Kavuncu Caddesi (eskiismi ile İstanbul Caddesi) üzerinde bulunan Devlet Su İşleri12. Bölge Müdürlüğü yerleşkesi, 1960’lı yıllarda görülenkamu yapılarını barındıran kampüs/yerleşke kent modeliniortaya koyan; işlevsel bir vaziyet planı, yalın mimari dile sahipyapıları, dini ve sosyo-kültürel rekreasyon alanları ve yeşilalan dokusu ile bulunduğu dönemin izlerini yansıtan önemliörneklerden biridir. Bu çalışmada DSİ 12. Bölge Müdürlüğüyerleşkesindeki lojmanya da kamu konutlarının mimariözellikleri ortaya konularak, değişen hayat tarzına ve yeniortaya çıkan işçi-memur sınıfının Kayseri kentindeki mekansalkarşılığına dair önemli ipuçları elde edilmiştir. Çalışmadanitel bir veri analizi yöntemi olarak doküman analizinebaşvurulmuştur.</p

Synthesis, crystal structure, spectroscopic and density functional modelling studies of the 2-isopropylbenzimidazolium tetrachloroplatinate(II) monohydrate

Synthesis, crystallographic characterization, spectroscopic and density functional modelling studies of the 2-isopropylbenzimidazolium tetrachloroplatinate monohydrate (C10H13N2)2.[PtCl4].H2O have been reported. The molecular structure of the compound was determined by single-crystal X-ray diffraction analysis. In the compound, the Pt atoms reside at a center of inversion. The compound is comprised of 2-isopropylbenzimidazole (Hipb)+: (C10H13N2)+ and [PtCl4]2- ions, respectively, linked by intermolecular hydrogen bonds N…Cl [3.249(4) from 3.660(7) Å], C…Cl [range from 3.553(7) to 3.895(7) Å] and O atom of a non-coordinating water molecule in the crystal structure N…O [2.728(8) Å], O…Cl [range from 3.234(6) to 3.451(7) Å], C…O [range from 3.350(7) to 3.545(1) Å] for the investigated compound. The molecular structure obtained from X-ray single-crystal analysis of the investigated compound in the ground state has been compared using Hartree-Fock (HF) and density functional theory (DFT) with the functionals B3LYP and PBE1PBE using the LANL2DZ basis set. The experimental and calculated vibrational frequencies of the title compound have been compared. There exists a good correlation between experimental and theoretical data for the complex. © 2017, Gazi University Eti Mahallesi. All rights reserved

Synthesis and characterization of Co(II), Ni(II), Cu(II) and Zn(II) complexes with a new homopiperazine macrocyclic Schiff base ligand

WOS: 000355127300031A new macrocyclic Schiff-base ligand, L, was synthesized by condensation reaction of 1,4-bis(2-formylphenyl) homopiperazine and 1,3-diaminopropane in acetonitrile. The Schiff-base ligand was characterized by using elemental analyses, IR, and mass spectroscopic techniques. Four new Ni(II), Cu(II), Co(II) and Zn(II) complexes of ligand, [NiLCl]ClO4, [CuLCl](ClO4), [CoLCl]ClO4 and [ZnLCl]ClO4 were prepared and characterized by elemental analyses and IR spectroscopy. X-ray crystal structure of [ZnLCl]ClO4 showed that the complex contains Zn(II) in a distorted square pyramidal geometry with a N4Cl core. In addition, structural parameters, vibration frequencies, frontier molecular orbitals (FMOs), UV bands and biological activity ranking of mentioned complexes are investigated as theoretically for all complexes. Computational studies of the relevant complexes are performed with the aid of density functional theory (DFT). (C) 2015 Elsevier B.V. All rights reserved.Faculty of Chemistry of Bu-Ali Sina University, Ministry of Science, Research and Technology of Iran; State of Planning Organization [2010K120480]; office of scientific research projects of Cumhuriyet University [F-426]We are grateful to the Faculty of Chemistry of Bu-Ali Sina University, Ministry of Science, Research and Technology of Iran for financial support and the Aksaray University, Science and Technology Application and Research Center, Turkey, for the use of the Bruker Smart Breeze CCD diffractometer (purchased under grant 2010K120480 of the State of Planning Organization). We are also grateful of the office of scientific research projects of Cumhuriyet University (Project No. F-426) for financial supports. This research is made possible by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure)