Researcher:
Haciu, Durata

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Teaching Faculty

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Durata

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Haciu

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Haciu, Durata

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Now showing 1 - 9 of 9
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    Publication
    FT-Raman, FT-IR and NMR spectra, vibrational assignments and density functional studies of 1,3-bis(benzimidazol-2-yl)-2-thiapropane ligand and its Zn(II) halide complexes
    (2008) Aghatabay, Naz Mohammed; Tulu, Metin; Yılmaz, Ayberk; Department of Chemistry; Department of Chemistry; Somer, Mehmet Suat; Haciu, Durata; Faculty Member; Teaching Faculty; Department of Chemistry; College of Sciences; College of Sciences; 178882; N/A
    1,3-bis(benzimidazol-2-yl)-2-thiapropane (L) ligand and its zinc halide ZnX2 (X = Cl, Br, I) complexes have been synthesized. The compounds were characterized using the elemental analysis, molar conductivity, FT-Raman, FT-IR (mid i.r., far i.r.), 1H and 13C NMR spectra, and quantum chemical calculations performed with Gaussian 03 package program set. The optimized geometries and vibrational frequencies of the ligand and [Zn(L)Cl2] complex were calculated using the DFT/B3LYP method with a 6–31g(d) basis set. The geometry optimization of [Zn(L)Cl2] yields a slightly distorted tetrahedral environment around Zn ion, while the molecule clearly reveals the Cs symmetry. The molar conductivity data reveals that the complexes are neutral. The ligand is bidentate, via two of the imine nitrogen atoms in the bis-imidazole ring units, and together with the monodentate coordination of the two halides to the metal centre.
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    Crystal structure of bis[µ2-(3-benzimidazol-2-yl)-2-ethanethiolato-N,S,S)- chloro-palladium(II)], [(C6H4N2HCCH2CH2S)PdCl]2 C2H5OH
    (Walter de Gruyter GmbH, 2005) Agh-Atabay, N.M.; Borrmann, H.; Department of Chemistry; Department of Chemistry; Somer, Mehmet Suat; Haciu, Durata; Faculty Member; Teaching Faculty; Department of Chemistry; College of Sciences; College of Sciences; 178882; N/A
    C20H24Cl2N4OPd2S2, triclinic, P1 (no. 2), a = 8,796(1) Å, b = 9.844(1) Å, c = 14.718(2) A, α = 94.330(6)°, β = 98.546(6)°,γ = 99.258(7)°, V= 1237.3 Å3, Z= 2, Rgt(F) = 0.068, wRref(F2)= 0.142, T= 295 K.
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    A study of the factors affecting the duration of exclusive breastfeeding
    (Nobel İlaç, 2009) Vehid, Hayriye Ertem; Vehid, Suphi; Gökçay, Gülbin; Bulut, Ayşen; Department of Chemistry; Haciu, Durata; Teaching Faculty; Department of Chemistry; College of Sciences; N/A
    Objective: This study aims to identify factors affecting the duration of exclusive breastfeeding during the first 6 months of life. Material and Method: The study was Carded out oil two groups of women, a study group of 125 women who received breastfeeding counselling voluntarily between July 2002 and June 2003, and a control group of 125 women who did not receive any counselling. Hospital interventions during delivery, sociodemographic characteristics of the mother support of the father and family members, antenatal education of the mother, are the factors evaluated for the duration of exclusive breastfeeding. The analysis was performed using the Cox regression method and significant hazard ratio values were used for analysis The data evaluated in this study was approved by the Ethical Committee of The medical Faculty of İstanbul University (Nr. 21375). Results: At 6 months of age 57.6% of the infants from, the study group and 11.2% from the control group were exclusively breastfeeding When the two groups were evaluated together the leading factor affecting the duration of exclusive breastfeeding, was found to be antenatal education (p=0.036) Within the first 6 months of life, the risk of stopping breast feeding among mothers who did not receive antenatal education is 1.67 times higher than in those who had antenatal education. Conclusion: Our findings show that, the proportion of exclusive breastfeeding was significantly high In the study group. This difference became more significant among mothers who had antenatal education oil breast-feeding in conclusion, antenatal education and breast-feeding counselling seemed to be necessary for successful breast-feeding diving the first 6 months of life.
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    Sonochemical zinc oxide and layered hydroxy zinc acetate synthesis in fenton-like reactions
    (Elsevier, 2017) Department of Chemistry; N/A; Haciu, Durata; Birer, Özgür; Teaching Faculty; Researcher; Department of Chemistry; Koç University Surface Science and Technology Center (KUYTAM) / Koç Üniversitesi Yüzey Teknolojileri Araştırmaları Merkezi (KUYTAM); College of Sciences; N/A; N/A; N/A
    Zinc acetate solution is sonicated at high power in water and in ethanol in the absence and presence of various peroxides. In the absence of peroxides, the products are zinc oxide and layered hydroxy zinc acetate in water and in ethanol, respectively. Layered basic zinc acetate are prepared for the first time using sonochemical methods. The addition of peroxides alters the reaction mechanisms. In water, insoluble peroxides produce zinc oxides while the water soluble peroxide, i.e. hydrogen peroxide, completely destroyed the structure and casted a doubt on the accepted peroxide initiated mechanism of reactions. In ethanol, peroxide addition caused the reaction mechanism to change and some oxide formation is observed. The reaction mechanism is sensitive to water/ethanol amounts as well as the peroxide to zinc ion mole ratio. Thin zinc oxide wafers (ca. 30 nm) with band gaps of 3.24 eV were obtained. (C) 2016 Elsevier B.V. All rights reserved.
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    Synthesis, characterization and antimicrobial activity of Fe(II), Zn(II), Cd(II) and Hg(II) complexes with 2,6-bis(benzimidazol-2-yl) pyridine ligand
    (Elsevier, 2007) Aghatabay, Naz M.; Neshat, A.; Karabıyık, T.; Dülger, B.; Department of Chemistry; Department of Chemistry; Somer, Mehmet Suat; Haciu, Durata; Faculty Member; Teaching Faculty; Department of Chemistry; College of Sciences; College of Sciences; 178882; N/A
    2,6-Bis(benzimidazol-2-yl)pyridine (L) ligand and complexes [M(L)Cl-2] and [Fe(L)(2)](ClO4)(2) (M = Zn, Cd, Hg) have been synthesized. The,geometries of the [M(L)Cl-2] complexes were derived from theoretical calculation in DGauss/DFT level (DZVP basis set) on CACHE. The central M(II) ion is penta-coordinated and surrounded by N3Cl2 environment, adopting a distorted trigonal bipyramidal geometry. The ligand is tridentate, via three nitrogen atoms to metal centre and two chloride ions lie on each side of the distorted benzimidazole ring. In the [Fe(L)21 (ClO4)(2) complex, the central Fe(H) ion is surrounded by two (3N) units, adopting a octahedral geometry. The elemental analysis, molecular conductivity, FT-Raman, FT-IR (mid-, far-IR), H-1, and C-13 NMR were reported. The antimicrobial activities of the free ligand, its hydrochloride salt, and the complexes were evaluated using the disk diffusion method in dimethyl sulfoxide (DMSO) as well as the minimal inhibitory concentration (MIC) dilution method, against 10 bacteria and the results compared with that for gentamycin. Antifungal activities were reported for Candida albicans, Khtyveromyces fragilis, Rhodotorula rubra, Debaryomyces hansenii, Hanseniaspora guilliemondii, and the results were referenced against nystatin, ketaconazole, and clotrimazole antifungal agents. In most cases, the compounds tested showed broad-spectrum (Gram positive and Gram negative bacteria) activities that were either more effective than or as potent as the references. The binding of two most biologically effective compounds of zinc and mercury to calf thymus DNA has also been investigated by absorption spectra.
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    Crystal structure of bis[μ2-(3-benzimidazol-2-yl)-2- ethanethiolato-N,S,S-chloro-palladium(II)], [(C6H4N 2HCCH2CH2S)PdCl]2 · C 2H5OH
    (Walter de Gruyter GmbH, 2005) Agh-Atabay, N.M.; Borrmann, H.; Department of Chemistry; Department of Chemistry; Somer, Mehmet Suat; Haciu, Durata; Faculty Member; Teaching Faculty; Department of Chemistry; College of Sciences; College of Sciences; 178882; N/A
    C20H24Cl2N4OPd 2S2, triclinic, P1̄ (no. 2), a = 8.796(1) Å, b = 9.844(1) Ä, c = 14.718(2) Ä, α = 94.330(6)°, β = 98.546(6)°, γ = 99.258(7)°, V = 1237.3 Å3, Z = 2, Rgt(F) = 0.068, wRref(F2) = 0.142, T = 295 K.
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    Crystal structure of bis[mu(2)-(3-benzimidazol-2-yl)-2-ethanethiolato-N,S,S)-chloro-palladium(II)], [(C6H4N2HCCH2CH2S)PdCl](2) center dot C2H5OH
    (Oldenbourg Verlag, 2005) Agh-Atabay, Naz Mohammed; Borrmann, Horst; Department of Chemistry; Department of Chemistry; Somer, Mehmet Suat; Haciu, Durata; Faculty Member; Teaching Faculty; Department of Chemistry; College of Sciences; College of Sciences; 178882; N/A
    C20H24Cl2N4OPd2S2, triclinic, P (1) over bar (no. 2), a = 8.796(1) angstrom, b = 9.844(1) angstrom, c = 14.718(2) angstrom, alpha = 94.330(6)degrees, beta = 98.546(6)degrees, gamma = 99.258(7)degrees, V = 1237.3 angstrom(3), Z = 2, R-gt(F) = 0.068, wR(ref)(F-2) = 0.142, T = 295 K.
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    Structural characterization and antimicrobial activity of 2-(5-H/methyl-1H-benzimidazol-2-yl)-4-bromo/nitro-phenol ligands and their Fe(NO3)3 complexes
    (Springer, 2006) Tavman, A; Agh-Atabay, NM; Neshat, A; Gucin, F; Dulger, B; Department of Chemistry; Haciu, Durata; Teaching Faculty; Department of Chemistry; College of Sciences; N/A
    2-(5-H/methyl-1H-benzimidazol-2-yl)-4-bromo/nitro-phenol (HLx:X=1-4) ligands and their iron(III) nitrate complexes have been synthesized and characterized. In all of the complexes, the ligands are bidentate, via one imine nitrogen atom and a phenolate oxygen atom. The coordination is completed with a bidentate nitrate anion, and a water molecule. Elemental analysis, molar conductivity, magnetic susceptibility, FT-Raman, FT-IR (mid i.r., far i.r.), UV-visible and as well as quantum chemical calculations performed with CACHE are in agreement with a 1:1 electrolyte structures that are mononuclear, and distorted 5-coordinate square pyramidal. The antimicrobial activities of free ligands, their hydrochloride salts and the complexes were evaluated using the disk diffusion method in dimethyl sulfoxide (DMSO) toward nine bacteria, each with multiple, fresh clinical isolates, and the results are compared with those for penicillin-g, ampicillin, cefotaxime, vancomycine, oflaxacin and tetracycline. Antifungal activities were reported for Kluyveromyces fragilis, Rhodotorula rubra, Candida albicans, Hanseniaspora Guilliermondii and Debaryomyces hansenii yeasts, each with multiple isolates, and the results were referenced against nystatin, ketaconazole and clotrimazole antifungal agents. In most cases, the compounds tested showed broad-spectrum (Gram(+) and Gram(-)) activities that were either more active or as potent as the references particularly as antifungal agents.
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    PublicationOpen Access
    Guide to water free lithium bis(oxalate) borate (LiBOB)
    (American Chemical Society (ACS), 2021) Zor, Ceren; Afyon, Semih; N/A; Department of Chemistry; Haciu, Durata; Subaşı, Yaprak; Somer, Mehmet Suat; Teaching Faculty; Researcher; Department of Chemistry; Koç University AKKİM Boron-Based Materials _ High-technology Chemicals Research _ Application Center (KABAM) / Koç Üniversitesi AKKİM Bor Tabanlı Malzemeler ve İleri Teknoloji Kimyasallar Uygulama ve Araştırma Merkezi (KABAM); Graduate School of Sciences and Engineering; College of Sciences
    Lithium bis(oxalate) borate, LiB(C2O4)(2) (LiBOB), is one of the most important electrolyte additives for Li-ion batteries (LIBs) due to its numerous advantages such as thermal stability, good solubility in organic solvents, high conductivity, and low cost as well as providing safer operations with superior electrochemical performance compared to conventional electrolyte combinations. However, the use of LiBOB is limited due to slight instability issues under ambient conditions that might require extra purification steps and result in poorer performances in real systems. Here, we address some of these issues and report a high purity water free LiBOB synthesized with fewer processing steps, employing lithium carbonate, oxalic acid, and boric acid as low-cost starting materials, and via ceramic processing methods under protective atmosphere. The physical and chemical characterizations of both anhydrous and monohydrate phases are performed with X-ray powder diffraction (XRPD), Fourier-transform infrared spectroscopy (FTIR), Raman spectroscopy, and scanning electron microscopy (SEM) analyses to determine the degree of the purity and the formation of impurities, such as LiBOB center dot H2O, HBO2, and Li2C2O4, as a result of the aging investigations where the as-synthesized salt was exposed to ambient conditions for different durations. Differential thermal analysis (DTA) is applied to determine the optimum synthesis conditions for anhydrous LiBOB and to analyze the water loss and the decomposition of LiBOB center dot H2O. Aging experiments with the water free LiBOB are carried out to evaluate the effect of humidity on the phase changes and resulting impurities under various conditions. The detrimental effect of even slightest humidity conditions is shown, and protective measures during and after the synthesis of LiBOB are discussed. Anhydrous LiBOB could be widely used as an electrolyte additive to improve the overall electrochemical performances for LIBs through development of a protective solid electrolyte interface (SEI) on the surface of high voltage cathodes and by bringing about superior electrochemical properties with increased cycling stability, rate capability, and Coulombic efficiency, if synthesized, purified, and handled properly before use in real electrochemical systems.