Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Citation - WoS: 18Citation - Scopus: 19Oxyhydroxide of Metallic Nanowires in a Molecular H2o and H2o2 Environment and Their Effects on Mechanical Properties(Royal Society of Chemistry, 2018) Aral, Gürcan; İslam, Md Mahbubul; Wang, Yun-Jiang; Ogata, Shigenobu; van Duin, Adri C. T.To avoid unexpected environmental mechanical failure, there is a strong need to fully understand the details of the oxidation process and intrinsic mechanical properties of reactive metallic iron (Fe) nanowires (NWs) under various aqueous reactive environmental conditions. Herein, we employed ReaxFF reactive molecular dynamics (MD) simulations to elucidate the oxidation of Fe NWs exposed to molecular water (H2O) and hydrogen peroxide (H2O2) environment, and the influence of the oxide shell layer on the tensile mechanical deformation properties of Fe NWs. Our structural analysis shows that oxidation of Fe NWs occurs with the formation of different iron oxide and hydroxide phases in the aqueous molecular H2O and H2O2 oxidizing environments. We observe that the resulting microstructure due to pre-oxide shell layer formation reduces the mechanical stress via increasing the initial defect sites in the vicinity of the oxide region to facilitate the onset of plastic deformation during tensile loading. Specifically, the oxide layer of Fe NWs formed in the H2O2 environment has a relatively significant effect on the deterioration of the mechanical properties of Fe NWs. The weakening of the yield stress and Young modulus of H2O2 oxidized Fe NWs indicates the important role of local oxide microstructures on mechanical deformation properties of individual Fe NWs. Notably, deformation twinning is found as the primary mechanical plastic deformation mechanism of all Fe NWs, but it is initially observed at low strain and stress level for the oxidized Fe NWs.Article Citation - WoS: 11Citation - Scopus: 13Liquid-Phase Oxidation of Carvacrol Using Zeolite-Encapsulated Metal Complexes(American Chemical Society, 2006) Güneş, Alev; Bayraktar, Oğuz; Yılmaz, SelahattinWe report here the use of zeolite-encapsulated metal (salpn) complexes as catalysts in the oxidation reaction of the natural compound carvacrol in acetonitrile with hydrogen peroxide as the oxidant. No previous studies on the oxidation of carvacrol in the presence of metal salpn complexes have been reported. By using a general flexible ligand method, Cr(III), Fe(III), Bi(III), Ni(II), and Zn(II) complexes of N,N′-bis(salicylidene)propane1,3-diamine (H2salpn) encapsulated in NaY zeolite were prepared. All catalysts were characterized by Fourier transform infrared (FTIR), X-ray diffraction (XRD), and scanning electron microscopy (SEM) analyses to confirm the complex encapsulation. The activities of all prepared catalysts for the oxidation of carvacrol and hydrogen peroxide were tested. The performances of all catalysts were compared on the basis of the leaching test results and carvacrol conversions. Thymohydroquinone and benzoquinones were observed as byproducts at high conversions of carvacrol. No product was formed in the absence of a catalyst. Fe(salpn)-NaY catalyst exhibited the highest carvacrol conversion of 27.6% with a yield of 22.0%, followed by Cr(salpn)-NaY catalyst with 23.5% carvacrol conversion and a yield of 17.6%. Other catalysts have shown relatively lower performances in terms of carvacrol conversion and leaching. The Cr(salpn)-NaY catalyst was found to be a more efficient catalyst than others on the basis of leaching and activity tests. With the selected catalyst Cr (salpn)-NaY, the effects of temperature and carvacrol/hydrogen peroxide molar ratio on carvacrol oxidation reactions were investigated. Increasing the temperature from 40 to 60 °C caused an increase in the thymoquinone yield from 6.2% to 16.0%. An increase in carvacrol/hydrogen peroxide molar ratio from 1 to 3 resulted in a decrease in the thymoquinone yield.Article Citation - WoS: 22Citation - Scopus: 21A Novel Silk Fibroin-Supported Iron Catalyst for Hydroxylation of Phenol(John Wiley and Sons Inc., 2006) Pekşen, Bahar Başak; Üzelakçil, Caner; Güneş, Alev; Malay, Özge; Bayraktar, OğuzThe aim of this study was to explore the potential use of silk fibroin (SF) as a catalyst support material for phenol hydroxylation reactions. Iron-substituted silk fibroin fibers were prepared using formic acid at room temperature and characterized using inductively coupled plasma atomic-emission spectrometry, scanning electron microscopy, Fourier transform infrared spectroscopy (FTIR) and optical microscopy. Measurement of an FTIR spectrum showed that the secondary structure was β-structure before and after iron substitution. To evaluate the catalytic properties of prepared catalyst, phenol hydroxylation reaction was carried out using aqueous hydrogen peroxide as an oxidant. An excellent transformation of phenol into dihydroxybenzenes (catechol and hydroquinone) was achieved. Phenol conversions of 3.3%, 61.2%, and 80.3% were obtained at room temperature, 40°C and 60°C respectively. It was found that no further phenol conversion proceeded because catalysts became separated from the reaction system during the reaction. No significant leaching of the iron was detected. Catalyst could be reused several times without a significant change in activity. Parent silk fibroin fibers without iron were inactive.Article Citation - WoS: 8Citation - Scopus: 7Potential Application of Hot Rehydration Alone or in Combination With Hydrogen Peroxide To Control Pectin Methylesterase Activity and Microbial Load in Cold-Stored Intermediate-Moisture Sun-Dried Figs(John Wiley and Sons Inc., 2004) Demirbüker Kavak, Dilek; Şimşek, Şebnem; Yemenicioğlu, AhmetSun-dried figs contain a considerable amount of pectin methylesterase (PME) activity (22 μM COOH/ min/g). The enzyme causes softening and loss of desired gummy texture in cold-stored intermediate-moisture (IM) sun-dried figs brought to a 28% to 29% moisture range. Partial reduction of PME activity (28%) delayed undesirable textural changes in IM figs rehydrated at 80°C for 16 min. The heat treatment did not cause a considerable reduction in microbial load. However, the addition of 2.5% H2O2 to the rehydratlon medium at 80°C reduced the initial total mesophilic aerobic count of figs by at least 90% and turned the figs from a brown color to a desirable and stable yellow-light brown. The in situ fig catalase remains after rehydration at 80°C. Thus, by reducing the contact period of figs with H2O2 or by pureeing figs, it is possible to eliminate residual H2O2 and to obtain safe and SO2-free light-colored fig products.