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Item A theoretical analysis of the explanation of the significant differences in antiferromagnetic interactions between homologous μ-alkoxo and acetate bridged dicopper(II) complexes: ab initio and semi-empirical calculations(Elsevier, 2004-07) Zeyrek, C. Tuğrul; Elmalı, Ayhan; Elerman, Y.; 0000-0001-6744-7841; TAEK-ANAEMA magnetostructural classification of dimmers, containing the Cu (μ-alkoxo) Cu core, based on data obtained from X-ray diffraction analysis reported in the literature has been performed. In these complexes, the local geometry around the copper ions is generally a square planar and each copper ion is surrounded by one N atom and three O atoms. The influence of the overlap interactions between the bridging ligands and the metal (Cu) d orbitals on the super-exchange coupling constant has been studied by means of ab initio Restricted Hatree–Fock molecular orbital calculations. The interaction between the magnetic d orbitals and highest occupied molecular orbitals of the acetate oxygens has been investigated in homologous μ-acetato-bridged dicopper(II) complexes which have significantly different −2J values (the energy separation between the spin-triplet and spin-singlet states). In order to determine the nature of the fronter orbitals, Extended Hückel molecular Orbital calculations are also reported. Ab initio restricted Hartree–Fock calculations have shown that the acetato bridge and the alkoxide bridge contribute to the magnetic interaction countercomplementarily to reduce antiferromagnetic interaction.Item Crystal structure and magnetic exchange interaction in a binuclear copper(II) schiff base complex with a bridging m-phenylenediamine ligand(De Gruyter, 2005) Zeyrek, C. Tuğrul; Elmalı, Ayhan; Elerman, Y.; Svoboda, I.; 0000-0001-6744-7841; TAEK-ANAEMCondensation of 2-hydroxy-3-methoxybenzaldehyde with m-phenylenediamine (1,3-diaminobenzene) (m-pda) gives the ligand [N,N′-bis(2-hydroxy-3-methoxybenzylidene)-1,3-diaminobenzene] which reacts with cupric acetate to give the complex [Cu2(L-m-pda)2]·2H2O, [L = 2-hydroxy-3- methoxybenzaldehyde)]. The molecular structure of the complex [Cu2(L-m-pda)2]·2H2O has been determined by single-crystal X-ray analysis. (C44H40Cu2N4O8)·2H2O, triclinic, space group P1̄. Two [Cu(L-m-pda)] fragments, related by an inversion center, are connected by m-phenylene groups to form a binuclear unit. The coordination geometry around each copper(II) can be described as a distorted tetrahedron formed by the N2O2 donor set of the Schiff base ligands. The intramolecular Cu···Cu separation is 7.401(6) Å. The magnetic susceptibility of the complex in the 5 - 301 K temperature range can be rationalized by the parameters J = −0.4 cm−1 and g = 2.17. This indicates a weak intramolecular antiferromagnetic interaction. Extended Hückel molecular orbital (EHMO) calculations have been performed in order to gain insight into the molecular orbitals that participate in the super-exchange pathway.Item Development of human resources through awareness education and training activities on occupational radiation protection for industrial radiography in Turkey(NT Council Materials Education, 2016) Zeyrek, C. Tuğrul; Akbıyık, Hayri; 0000-0001-6744-7841; TAEK-ANAEMIndustrial radiography that uses both X-ray and gamma radiation are common widespread techniques of inspecting materials for hidden flaws. No matter what regulatory infrastructure is used, individual industrial radiographers are the most likely group of exposed workers to receive doses up to approaching relevant acceptable dose limits. In Turkey, the usage of ionizing radiation in industry is growing day by day in parallel with the technical developments in Turkey. This paper summarizes the Turkish experience in radiation protection (RP) education and training (E&T) in industrial radiography, regulatory requirements and the feedback obtained from various RP actions. The aim of this study is to provide a structural description of the course modules that are addressed to qualified experts, industrial radiographers and radiation protection officers (RPOs). The modules are mainly dedicated to radiation protection applications in industrial radiography. Assessment of this course also points out the benefits and inconveniences of pedagogical approaches in the Radiation Protection domain.Item Education and training activities on personal dosimetry service in Turkey(Oxford Univ. Press, 2013) Zeyrek, C. Tuğrul; Akbıyık, Hayri; 0000-0001-6744-7841; TAEK-ANAEMA personal dosimetry service that evaluates the occupational doses for external and internal radiation of the radiation workers is one of the main components of radiation protection programme. The education and training (E&T) activities in this field are basic aspect of the optimization of all exposures to radiation. The E&T activities in the field of occupational radiation protection at the national and international level are mainly interested and implemented by Ankara Nuclear Research and Training Center (ANRTC) in Turkey. This study describes the Turkish experience in education and training of the staff of dosimetry services, postgraduate students and medical physics experts. The first individual monitoring training course realized in 2012 in Turkey. The aim of this study is to provide a structured description of postgraduate courses that addressed to qualified experts and medical physics experts, and the modules mainly dedicated to individual monitoring.Item Iron(III) induced imidazolidine ring hydrolysis of binucleating schiff base ligand: synthesis, crystal structures, spectroscopic properties and conformational study of a new μ-bis(tetradentate) schiff base and its mononuclear iron(III) complex(De Gruyter, 2005-05) Zeyrek, C. Tuğrul; Elmalı, Ayhan; Elerman, Y.; 0000-0001-6744-7841; TAEK-ANAEMThe μ-bis(tetradentate) ligand, [C27H26Cl3N4O4], H3L′, 1,3-bis[N-(5-chloro-2-hydroxybenzylidene)- 2-aminoethyl]-2-(5-chloro-2-hydroxyphenyl)imidazolidine and its mononuclear iron(III) complex, [Fe(L)](ClO4), L = N, N′-bis(5-chloro-2-hydroxybenzylidene)-triethylenetetramine have been synthesized and their crystal structures determined. Minimum energy conformations of the ligand were calculated (MOPAC, AM1) as a function of two torsion angles and the results compared with optimized crystal structure. The ligand (H3L′) reacts with Fe(ClO4)2 · 6H2O in aqueous methanol to form the mononuclear [Fe(L)](ClO4) complex with the imidazolidine ring cleaved by hydrolysis. The complex has an N4O2 donor atom set forming a distorted octahedral coordination geometry around the metal atom as established from a crystal structure determination. The terminal oxygen donor atoms occupy cis positions, and the remaining four nitrogen atoms (two cis amine and two trans imine) complete the coordination sphere.Item İyonize radyasyon uygulamaları için güvenlik ve korunmaya yönelik genel kavramlar(Süleyman Demirel Üniversitesi, 2013-01) Zeyrek, C. Tuğrul; 0000-0001-6744-7841; TAEK-ANAEMBu çalışmada iyonlaştırıcı radyasyonla ilgili bilimsel yapıda ve uluslararası geçerliliği olan iyonlaştırıcı radyasyon uygulamaları için güvenlik ve korunmaya yönelik genel kavramlar sunularak, ülkemizdeki uygulamalarına yönelik bilgiler verilmiştir. Radyasyondan korunma sistemin ana hedefi, radyasyon görevlilerinin, halkın ve çevrenin radyasyonun zararlı etkilerine karşı korunmasıdır. Amacı ise radyasyonun deterministik etkilerini (cilt yanıkları, katarakt, ölüm gibi) önlemek ve stokastik (kanser, genetik etkiler) etkilerin meydana gelme olasılığını en aza indirebilmektir. Radyasyon ışınlamalarına yönelik olarak insan aktiviteleri ve uygulamaları için üç temel gereksinimi esas alan bir korunma sistemi tavsiye edilir. Bu gereksinimler ülke bazında sosyal ve ekonomik faktörleri de içerir. Uygulamanın Doğrulanması (justifikasyon-net fayda), Korunmanın Optimizasyonu (en az doz ile en iyi sonuç) ve Doz Sınırlarının uygulanması, radyasyondan korunma sisteminde yer alan üç temel prensiptir. Bu prensiplere göre radyasyonun zararlı etkilerini telafi edecek şekilde yeterli fayda sağlamayan radyasyona maruz kalmayı gerektiren hiçbir uygulamaya izin verilmemesi, bu kapsamda olacak olan uygulamalarda ise en az doz ile en iyi sonuca ulaşılması ve tıbbi tanı/tedavi haricinde bireylerin ışınlandığı tüm uygulamaların sonucunda alacakları dozların sınırlandırılması gerekmektedir.Item Letter to the Editor(Oxford Univ. Press, 2012) Zeyrek, C. Tuğrul; Akbıyık, Hayri; 0000-0001-6744-7841; TAEK-ANAEMItem Magnetic characterization, synthesis and crystal structure of a heterodinuclear CuIIGdIII Schiff base complex bridged by the two phenolic oxygen atoms(Elsevier, 2005-04) Zeyrek, C. Tuğrul; Elmalı, Ayhan; Elerman, Y.; 0000-0001-6744-7841; TAEK-ANAEMA novel heterodinuclear complex formed by the reaction of gadolinium nitrate with Schiff base complex of copper(II) has been synthesized and characterized. Preparation, crystal structure and magnetic properties of the heterodinuclear complex, LCu(Me2CO)Gd(NO3)3, (L=(N,N′-bis(2,3-dihydroxybenzylidene)-1,3-diaminopropane) are reported. The complex is consisting of a deca-coordinated GdIII ion which is bridged to four coordinated CuII via both phenolate oxygen atoms of the L Schiff base ligand. The average Cu⋯Gd separation is 3.475(2) Å. There is also one non-coordinating acetone molecule in the crystal structure. The magnetic susceptibility of the complex was measured over the range 4.5–350 K and the observed data were successfully simulated by the equation based on the spin-Hamiltonian operator H=−JSCu·SGd. The values of the intrachain interaction parameters have been deduced from the magnetic data: exchange integral J(Cu–Gd)=7.3 cm−1, gCu=2.17, gGd=2.09. This indicates a weak ferromagnetic spin exchange interaction between CuII and GdIII ions. The nature of the magnetic super-exchange interaction of the title compound is compared with similar CuIIGdIII heterodinuclear complexes.Item Occupational exposure to ionising radiation in the region of Anatolia, Turkey for the period 1995-1999(Oxford, 2004) Gündüz, Hüseyin; Zeyrek, C. Tuğrul; Aksu, Levent; Işak, Solmaz; 0000-0001-6744-7841; TAEK-ANAEMFor this study, the individual annual dose information on classified workers who occupational exposure due to extended radiation sources in Anatolia region of Turkey was assessed and analysed by the Ankara Nuclear Research and Training Centre dosimetry service (ANAEM) at the Turkish Atomic Energy Authority (TAEA) for the years 1995-1999. The monitored radiation workers are divided into three main work sectors: conventional industry (8.24%), medicine (90.20%) and research-education (1.56%). The average annual dose for all workers in each particular sector was 0.14 mSv , 0.38 mSv and 0.08 mSv, respectively, in 1995 to 1999. This paper contains the detailed analysis of occupational exposure. The statistical analysis provided includes the mean annual dose, the collective dose, distributions of the dose over the different sectors and the number of workers that have exceed any the established dose levels.Item Occupational exposure to ionising radiation with thermoluminescence dosimetry system in Turkey, in 2003(Oxford, 2005) Zeyrek, C. Tuğrul; Gündüz, Hüseyin; 0000-0001-6744-7841; TAEK-ANAEMThe individual annual dose information on classified workers who are occupationally exposed to extended radiation sources by using thermoluminescence dosimetry system, in Turkey was assessed and analyzed by the Ankara Nuclear Research and Training Centre (ANAEM) dosimetry service at the Turkish Atomic Energy Authority (TAEK) for the year 2003. A total of total 3721 persons were monitored with TLD and the data presented in this report was obtained by using TLD technology in 2003. The annual mean effective doses received from external radiation in the different fields of activity and the distributions of the annual effective dose by dose intervals are presented. The collective annual dose by field of activity is estimated and the contribution to the total annual collective dose is determined.Item Synthesis, characterization, and evaluation of (E)-methyl 2-((2-oxonaphthalen-1(2H)-ylidene)methylamino)acetate as a biological agent and an anion sensor(Elsevier, 2016) Zeyrek, C. Tuğrul; Boyacıoğlu, Bahadır; Yıldız, Mustafa; Ünver, Hüseyin; Yolal, Devrim; Demir, Neslihan; Elmalı, Ayhan; Aslan, Kadir; 0000-0001-6744-7841; TAEK-ANAEMAn amino acid derived and bidentate Schiff base, (E)-methyl 2-((2-oxonaphthalen-1(2H)-ylidene)methylamino)acetate (ligand), was synthesized from the reaction of glycine-methyl ester hydrochloride with 2-hydroxy-1-naphthaldehyde. Characterization of the ligand was carried out using theoretical quantum-mechanical calculations and experimental spectroscopic methods. The molecular structure of the compound was confirmed using X-ray single-crystal data, NMR, FTIR and UV-Visible spectroscopy, which were in good agreement with the structure predicted by the theoretical calculations using density functional theory (DFT). Antimicrobial activity of the ligand was investigated for its minimum inhibitory concentration (MIC) to several bacteria and yeast cultures. UV-visible spectroscopy studies also shown that the ligand can bind calf thymus DNA (CT-DNA) electrostatic binding. In addition, DNA cleavage study showed that the ligand cleaved DNA without the need for external agents. Energetically most favorable docked structures were obtained from the rigid molecular docking of the compound with DNA. The compound binds at the active site of the DNA proteins by weak non-covalent interactions. The colorimetric response of the ligand in DMSO to the addition of equivalent amount of anions (F-, Br-, I-, CN-, SCN-, ClO4-, HSO4-, AcO-, H2PO4-, N3- and OH-) was investigated and the ligand was shown to be sensitive to CN- anion.Item Synthesis, structure, spectroscopic (FT-IR) and density functional modelling studies of 1-[(4-etohxyphenylimino)methyl]napthalen-2-ol(Taylor & Francis, 2014) Zeyrek, C. Tuğrul; Dilek, Nefise; Yıldız, Mustafa; Ünver, Hüseyin; 0000-0001-6744-7841; TAEK-ANAEMSynthesis, crystallographic characterization, spectroscopic (FT-IR) and density functional modelling studies of the Schiff base 1-[(4-etohxyphenylimino)methyl]napthalen-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 (HF) and density functional theory (DFT) with the 6-311++G(d,p) basis set. In addition to the optimized geometrical structures, atomic charges, molecular electrostatic potential (MEP), natural bond orbital (NBO), nonlinear 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 predicted NLO properties of the compound which calculated by B3LYP method with 6-31G(d), 6-31+G(d,p), 6-31++G(d,p), 6-311+G(d) and 6-311++G(d,p) basis sets are greater than ones urea. The standard thermodynamic functions were obtained for the title compound with the temperature ranging from 200 to 450 K. Keywords:Item The synthesis, crystal structure and spectroscopic properties of a dinuclear μ–pyrazolato–N,N’–bridged dinickel(II) complex of 1,3-bis(salicylideneamino)propan–2–ol(De Gruyter, 2004) Zeyrek, C. Tuğrul; Elmalı, Ayhan; Elerman, Y.; 0000-0001-6744-7841; TAEK-ANAEMThe title compound [Ni2(L)(3,5 prz)], prz = pyrazolate with the formally pentadentate ligand L = 1,3-bis(salicylideneamino)propan-2-olate, was synthesized and identified using elemental analysis and IR spectroscopy. It crystallizes in the monoclinic space group P21/c with cell parameters a = 29.873(4), b = 11.131(2), c = 13.166(3) Å , β = 107.770(10)°, V = 4169.0(13) Å3, Z = 4, Dcal = 1.618 Mg/m3. The nickel ions are bridged by the alkoxo group of the ligand and the N atoms of the μ-pyrazolate group. Each nickel(II) ion is coordinated by two N atoms and two O atoms, forming a square with trans-N2O2 geometry. The Ni···Ni distance and the Ni−O−Ni angle are 3.371(1) Å and 126.4(1)°, respectively.