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Publication Open Access A diversity combination model incorporating an inward bias for interaural time-level difference cue integration in sound lateralization(Multidisciplinary Digital Publishing Institute (MDPI), 2020) N/A; Department of Computer Engineering; Mojtahedi, Sina; Erzin, Engin; Ungan, Pekcan; Faculty Member; Faculty Member; Department of Computer Engineering; Graduate School of Sciences and Engineering; College of Engineering; School of Medicine; N/A; 34503; N/AA sound source with non-zero azimuth leads to interaural time level differences (ITD and ILD). Studies on hearing system imply that these cues are encoded in different parts of the brain, but combined to produce a single lateralization percept as evidenced by experiments indicating trading between them. According to the duplex theory of sound lateralization, ITD and ILD play a more significant role in low-frequency and high-frequency stimulations, respectively. In this study, ITD and ILD, which were extracted from a generic head-related transfer functions, were imposed on a complex sound consisting of two low- and seven high-frequency tones. Two-alternative forced-choice behavioral tests were employed to assess the accuracy in identifying a change in lateralization. Based on a diversity combination model and using the error rate data obtained from the tests, the weights of the ITD and ILD cues in their integration were determined by incorporating a bias observed for inward shifts. The weights of the two cues were found to change with the azimuth of the sound source. While the ILD appears to be the optimal cue for the azimuths near the midline, the ITD and ILD weights turn to be balanced for the azimuths far from the midline.Publication Open Access A new series of indeno[1,2-c]pyrazoles as EGFR TK inhibitors for NSCLC therapy(Multidisciplinary Digital Publishing Institute (MDPI), 2022) Özdemir, A.; Sever, B.; Tateishi, H.; Otsuka, M.; Fujita, M.; Altıntop, M.D.; Department of Molecular Biology and Genetics; Çiftçi, Halil İbrahim; Department of Molecular Biology and Genetics; College of SciencesNon-small cell lung cancer (NSCLC) is the leading cause of cancer-related death throughout the world. Due to the shortcomings of traditional chemotherapy, targeted therapies have come into prominence for the management of NSCLC. In particular, epidermal growth factor receptor (EGFR) tyrosine kinase inhibitor (TKI) therapy has emerged as a first-line therapy for NSCLC patients with EGFR-activating mutations. In this context, new indenopyrazoles, which were prepared by an efficient microwave-assisted method, were subjected to in silico and in vitro assays to evaluate their potency as EGFR TK-targeted anti-NSCLC agents. Compound 4 was the most promising antitumor agent towards A549 human lung adenocarcinoma cells, with an IC50 value of 6.13 µM compared to erlotinib (IC50 = 19.67 µM). Based on its low cytotoxicity to peripheral blood mononuclear cells (PBMCs), it can be concluded that compound 4 exerts selective antitumor action. This compound also inhibited EGFR TK with an IC50 value of 17.58 µM compared to erlotinib (IC50 = 0.04 µM) and induced apoptosis (56.30%). Taking into account in silico and in vitro data, compound 4 stands out as a potential EGFR TKI for the treatment of NSCLC.Publication Open Access A novel method for PEGylation of chitosan nanoparticles through photopolymerization(Royal Society of Chemistry (RSC), 2019) Department of Chemical and Biological Engineering; Bozüyük, Uğur; Gökulu, İpek Simay; Doğan, Nihal Olcay; Kızılel, Seda; PhD Student; Faculty Member; Department of Chemical and Biological Engineering; College of Engineering; N/A; N/A; N/A; 28376An ultrafast and convenient method for PEGylation of chitosan nanoparticles has been established through a photopolymerization reaction between the acrylate groups of PEG and methacrylated-chitosan nanoparticles. The nanoparticle characteristics under physiological pH conditions were optimized through altered PEG chain length, concentration and duration of UV exposure. The method developed here has potential for clinical translation of chitosan nanoparticles. It also allows for the scalable and fast synthesis of nanoparticles with colloidal stability.Publication Open Access A promising catalyst for the dehydrogenation of perhydro-dibenzyltoluene: Pt/Al2O3 prepared by supercritical CO2 deposition(Multidisciplinary Digital Publishing Institute (MDPI), 2022) Modisha, Phillimon; Garidzirai, Rudaviro; Rommel, Sarshad; Uzunlar, Erdal; Aindow, Mark; Bessarabov, Dmitri; Department of Chemical and Biological Engineering; Bozbağ, Selmi Erim; Erkey, Can; Güneş, Hande; Researcher; Faculty Member; Department of Chemical and Biological Engineering; Koç University Tüpraş Energy Center (KUTEM) / Koç Üniversitesi Tüpraş Enerji Merkezi (KÜTEM); College of Engineering; N/A; 29633; N/APt/Al2O3 catalysts prepared via supercritical deposition (SCD), with supercritical CO2, wet impregnation (WI) methods and a selected benchmark catalyst, were evaluated for the dehydrogenation of perhydro-dibenzyltoluene (H18-DBT) at 300 degrees C in a batch reactor. After ten dehydrogenation runs, the average performance of the catalyst prepared using SCD was the highest compared to the benchmark and WI-prepared catalysts. The pre-treatment of the catalysts with the product (dibenzyltoluene) indicated that the deactivation observed is mainly due to the adsorbed H0-DBT blocking the active sites for the reactant (H18-DBT). Furthermore, the SCD method afforded a catalyst with a higher dispersion of smaller sized Pt particles, thus improving catalytic performance towards the dehydrogenation of H18-DBT. The particle diameters of the SCD- and WI-prepared catalysts varied in the ranges of 0.6-2.2 nm and 0.8-3.4 nm and had average particle sizes of 1.1 nm and 1.7 nm, respectively. Energy dispersive X-ray spectroscopy analysis of the catalysts after ten dehydrogenation runs revealed the presence of carbon. In this study, improved catalyst performance led to the production of more liquid-based by-products and carbon material compared to catalysts with low catalytic performance.
Publication Metadata only A three-dimensional silver(I) framework assembled from 3,3′- thiodipropionate: synthesis, structure and molecular simulations for hydrogen gas adsorption(Pergamon-Elsevier Science Ltd, 2012) Arıcı, Mürsel; Yeşilel, Okan Zafer; Taş, Murat; Department of Chemical and Biological Engineering; Keskin, Seda; Faculty Member; Department of Chemical and Biological Engineering; College of Engineering; 40548A novel three dimensional Ag(I)-3,3'-thiodipropionate metal organic framework, [Ag-2(mu(8)-tdp)](n) (1) (tdpH(2) = 3,3'-thiodipropionic acid), was synthesized and structurally characterized by FT-IR and photoluminescence spectroscopy, single crystal X-ray diffraction techniques and thermal analysis (TG, DTG and DTA). The compound crystallized in the monoclinic crystal system with the space group C2/c. The X-ray crystallographic study of 1 shows a short Ag center dot center dot center dot Ag contact with a distance of 3.022 angstrom. The most striking feature of 1 is that it exhibits a 3D porous framework with 1D infinite channels, and complex 1 exhibits strong fluorescent emission bands in the solid state at room temperature. Moreover, atomically detailed simulations were used to assess the potential of the complex for H-2 storage applications.Publication Metadata only A universal method for the preparation of magnetic and luminescent hybrid nanoparticles(American Chemical Society (ACS), 2010) Topal, Uğur; N/A; N/A; Department of Chemistry; Kaş, Recep; Sevinç, Esra; Acar, Havva Funda Yağcı; Master Student; Master Student; Faculty Member; Department of Chemistry; Graduate School of Sciences and Engineering; Graduate School of Sciences and Engineering; College of Sciences; N/A; N/A; 178902Hybrid nanoparticles (MDOTs) composed of luminescent quantum dots (QDs) and superparamagnetic iron oxides (SPIOs) were prepared by the ligand-exchange mechanism in a simple and versatile extraction method. In this method, aqueous QDs (CdS or CdTe) coated with carboxylated ligands exchange the fatty acid (lauric acid) coating of SPIOs in a water chloroform extraction process. QDs form a coating around SPIOs and transfer them into the aqueous phase in high efficiency. The method worked successfully with both small and polymeric coating molecules selected as cysteine, 2-mercaptopropionic acid, and a poly(acrylic acid)/mercaptoacetic acid mixture. The original properties of the nanoparticles were well-preserved in the hybrid structures: All MDOTS showed ferrofluidic behavior and had a luminescence in the original color of the QD. Magnetic properties and the luminesence intensity of MDOTs can be easily tuned with the SPIO/QD ratio. All particles are small and show very good stability (optical and colloidal) over months. For stable MDOTs with good luminescence properties, highly luminescent aqueous QDs (CdS or CdTe) with the mentioned coatings were prepared. The first examples of CdTe coated with 2MPA emitting from green to red and CdTe-PAA/MAA were provided as well.Publication Metadata only A zinc(II) metal organic framework based on flexible o-phenylenediacetate and rigid 4,4′-azobis(pyridine) ligands: synthesis, crystal structure and hydrogen gas adsorption property(Pergamon-Elsevier Science Ltd, 2015) Gunay, Gunes; Yesilel, Okan Zafer; Erer, Hakan; Tabak, Ahmet; Department of Chemical and Biological Engineering; Keskin, Seda; Faculty Member; Department of Chemical and Biological Engineering; College of Engineering; 40548A new three-dimensional (3D) metal organic framework, [Zn-2(mu(4)-o-pda)(2)(mu-abpy)](n) (1), has been synthesized by the hydrothermal reaction and characterized by FT-IR spectroscopy, elemental analysis, thermal analysis, X-ray powder diffraction, and single crystal X-ray diffraction techniques (o-H(2)pda = o-phenylenediacetic acid and abpy = 4,4'-azobis(pyridine)). Single crystal X-ray diffraction study reveals that complex 1 exhibits a binodal (3,7)-connected three-dimensional framework (3D) with the point symbol of (3.5(2))(3(2).4(4).5(7).6(7).7). Thermal analysis reveal that complex 1 is stable up to 300 degrees C. In order to investigate the potential of 1 in gas storage applications, we performed experiments and atomically detailed simulations to obtain H-2 adsorption isotherm at a pressure range of 0-1 atm at 77 K.Publication Metadata only Active sites and their individual turnover frequencies for ethylene hydrogenation on reduced graphene aerogel(Amer Chemical Soc, 2024) Department of Chemistry;Department of Chemical and Biological Engineering; Yalçın, Kaan; Öztulum, Samira Fatma Kurtoğlu; Öztuna, Feriha Eylül Saraç; Kanat, Gizem Hasibe; Ünal, Uğur; Uzun, Alper; Koç University Tüpraş Energy Center (KUTEM) / Koç Üniversitesi Tüpraş Enerji Merkezi (KÜTEM); Koç University Surface Science and Technology Center (KUYTAM) / Koç Üniversitesi Yüzey Teknolojileri Araştırmaları Merkezi (KUYTAM); Graduate School of Sciences and Engineering; College of Sciences; College of EngineeringGraphene aerogel (GA) was reduced at various temperatures to prepare a series of reduced graphene aerogels (rGAs) with different surface characteristics. Detailed characterization demonstrated that an increase in the thermal reduction temperature leads to an increase in surface area accompanied by an increase in surface density of defect sites formed by the removal of the oxygen-containing functional groups. rGA samples were then tested for ethylene hydrogenation under identical conditions. A comparison of catalytic performances of each catalyst demonstrated that the rGA sample prepared by reduction in Ar at 900 degrees C (rGA-900) provides the highest performance compared with others prepared at lower temperatures. Next, we analyzed the per-gram activity of each catalyst as a sum of individual contributions from different defect sites quantified by Raman spectroscopy and CHNS-O analysis to determine the individual turnover frequencies (TOFs) of each active site. This analysis identified polyene-like structures and interstitial defects associated with amorphous sp(2) bonded carbon atoms as the dominant active sites responsible for hydrogenation. A comparison of their TOFs further indicated that the polyene-like structures provide approximately ten times higher TOF compared to those associated with the amorphous carbon defects. These results, identifying the dominant active centers and quantifying their corresponding TOFs, provide opportunities toward the rational design of GA-based carbocatalysts.Publication Metadata only Adsorption and transport of CH4, CO2, H-2 mixtures in a bio-MOF material from molecular simulations(Amer Chemical Soc, 2011) N/A; N/A; Department of Chemical and Biological Engineering; Atcı, Erhan; Eruçar, İlknur; Keskin, Seda; Master Student; PhD Student; Faculty Member; Department of Chemical and Biological Engineering; Graduate School of Sciences and Engineering; Graduate School of Sciences and Engineering; College of Engineering; N/A; 260094; 40548Accurate description of gas adsorption and diffusion in nanoporous materials is crucial in envisioning new materials for adsorption-based and membrane-based gas separations. This study provides the first information about the equilibrium and transport properties of different gas mixtures in a bio-metal organic framework (bio-MOF). Adsorption isotherms and self-diffusivity coefficients of CH4, CO2, H-2, and their binary mixtures in bio-MOF-11 were computed using grand canonical Monte Carlo and equilibrium molecular dynamics simulations. Results showed that bio-MOF-11 exhibits significantly higher adsorption selectivity for CO2 over CH4 and H-2 than the widely studied MOFs. Bio-MOF-11 outperforms several isoreticular MOFs, traditional zeolites, and zeolite imidazolate frameworks in membrane-based separations of CH4/H-2, CO2/CH4, and CO2/H-2 mixtures due to its high gas permeability and permeation selectivity. The methods used in this work will assess the potential of bio-MOFs in gas separations and accelerate development of new bio-MOFs for targeted applications by providing molecular insights into adsorption transport of gas mixtures.Publication Metadata only Adsorption of Pt(cod)me(2) onto organic aerogels from supercritical solutions for the synthesis of supported platinum nanoparticles(Elsevier Science Bv, 2011) Yasar, N. S.; Zhang, L. C.; Aindow, M.; N/A; Department of Chemical and Biological Engineering; Bozbağ, Selmi Erim; Erkey, Can; Researcher; Faculty Member; Department of Chemical and Biological Engineering; College of Engineering; College of Engineering; N/A; 29633The thermodynamics and kinetics of adsorption of Pt(cod)me(2) onto resorcinol-formaldehyde aerogel (RFA) from supercritical carbon dioxide (scCO(2)) was investigated by using high performance liquid chromatography (HPLC) to measure Pt(cod)me(2) concentrations in the fluid phase. It was found that the adsorption isotherms of Pt(cod)me(2) at 35 degrees C for different CO2 pressures could be represented by modified Langmuir isotherms. The kinetics of adsorption was determined by following the Pt(cod)me(2) uptake of the RFA spheres; these data correspond closely to the behavior from a mass transfer model based on diffusion within the pore volume with the assumption of local equilibrium at the solid-fluid interface. The adsorbed Pt(cod)me(2) molecules were reduced at atmospheric pressure under flowing hydrogen at 200 degrees C. The resultant Pt nanoparticles were distributed uniformly on the surface and had narrow size distributions. The average particle size of the nanoparticles increased with platinum loading from 2.0 nm at 10 wt.% to 3.3 nm at 34 wt.%. The Pt nanoparticles in an RFA pellet had a uniform radial size distribution, even though the pellet was impregnated with Pt(cod)me(2) for too short a short period of time for the system to reach adsorption equilibrium. The high mobility of the atomic Pt evolved during the reduction process is believed to be responsible for this phenomenon. Performing the adsorption of Pt(cod)me(2) onto RFA at 80 degrees C led to concurrent reduction and Pt nanoparticle growth. (C) 2010 Elsevier B.V. All rights reserved.