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Publication Metadata only 3D printed poly(lactic acid) scaffolds modified with chitosan and hydroxyapatite for bone repair applications(Elsevier, 2020) N/A; N/A; N/A; N/A; Department of Chemistry; Department of Chemical and Biological Engineering; Department of Chemistry; Nazeer, Muhammad Anwaar; Önder, Özgün Can; Sevgili, İlkem; Yılgör, Emel; Kavaklı, İbrahim Halil; Yılgör, İskender; PhD Student; PhD Student; PhD Student; Researcher; Faculty Member; Faculty Member; Department of Chemical and Biological Engineering; Department of Chemistry; Koç University Surface Science and Technology Center (KUYTAM) / Koç Üniversitesi Yüzey Teknolojileri Araştırmaları Merkezi (KUYTAM); Graduate School of Sciences and Engineering; Graduate School of Sciences and Engineering; Graduate School of Sciences and Engineering; College of Sciences; College of Engineering; College of Sciences; N/A; N/A; N/A; N/A; 40319; 241813D printed poly(lactic acid) (PLA) scaffolds surface modified with chitosan (CS) and hydroxyapatite (HA) to produce a novel bioactive composite scaffold is reported. Excellent mechanical properties of PLA, the bioactivity of CS, and osteogenic characteristics of HA are combined to fabricate composite scaffolds using a simple desktop 3D printer. Scaffolds were characterized through attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy, scanning electron microscopy (SEM), energy dispersive X-ray (EDX) spectroscopy, X-ray diffraction (XRD) and water contact angle measurements before and after modification. Formic acid was used as a solvent to prepare stable CS/HA dispersions and was found to be a suitable solvent for producing PLA/CS/HA composites. Surface properties of modified scaffolds were superior in terms of hydrophilicity and bioactivity, which resulted in enhanced attachment and proliferation of human osteosarcoma cells in vitro compared to the unmodified PLA scaffolds.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 Metadata only A new venue toward predicting the role of hydrogen embrittlement on metallic materials(Springer, 2016) N/A; N/A; Department of Chemical and Biological Engineering; Department of Mechanical Engineering; Bal, Burak; Şahin, İbrahim; Uzun, Alper; Canadinç, Demircan; PhD Student; PhD Student; Faculty Member; Faculty Member; Department of Chemical and Biological Engineering; Department of Mechanical Engineering; Graduate School of Sciences and Engineering; Graduate School of Sciences and Engineering; College of Engineering; College of Engineering; N/A; N/A; 59917; 23433This paper presents a new crystal plasticity formulation to predict the role of hydrogen embrittlement on the mechanical behavior of metallic materials. Specifically, a series of experiments were carried out to monitor the role of hydrogen interstitial content on the uniaxial tensile deformation response of iron alloyed with hydrogen, and the classical Voce hardening scheme was modified to account for the shear stresses imposed on arrested dislocations due to the surrounding hydrogen interstitials. The proposed set of physically grounded crystal plasticity formulations successfully predicted the deformation response of iron in the presence of different degrees of hydrogen embrittlement. Moreover, the combined experimental and modeling effort presented herein opens a new venue for predicting the alterations in the performance of metallic materials, where the hydrogen embrittlement is unavoidable.Publication Metadata only A novel anthracene functionalized dibenzoxanthene fluorophore for copper (II) sensing(Elsevier, 2021) Özükanar, Özge; Ünlü, Caner; Kumbaracı, Volkan; Department of Chemistry; Gündüz, Hande; Researcher; Department of Chemistry; College of Sciences; 224496Dibenzoxanthene derivatives are widely used in metal ion sensing applications. Especially, fluorescent dibenzoxanthene derivatives are potential candidate to sense metal ions in various solvent systems. However, most of the studies are focused on either metal sensing in aqueous solutions, or sensing of the extremely toxic metal ions, such as Pb2+ and Hg2+. In this study, a novel benzyl functionalized dibenzoxanthene derivative and a novel fluorescent anthracene functionalized dibenzoxanthene derivative were synthesized to sense metal ions in polar aprotic solvent systems by using UV-Vis spectroscopy and Fluorescence spectroscopy. As benzyldibenzoxanthene was sensitive to multiple metal ions (Pb2+, CO2+, and Cu2+), novel anthracenyldibenzoxanthene was only sensitive to Cu2+ with the binding capacity of one anthracenyl-dibenzoxanthene to three Cu2+ ions, thus the copper sensitivity was increased. The binding affinity of dibenzoxanthene derivatives with Cu2+ has been analyzed by H-1 NMR and High-resolution XPS.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 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, diffusion, and separation of CH4/H-2 mixtures in covalent organic frameworks: molecular simulations and theoretical predictions(amer Chemical Soc, 2012) N/A; Department of Chemical and Biological Engineering; Keskin, Seda; Faculty Member; Department of Chemical and Biological Engineering; College of Engineering; 40548Grand canonical Monte Carlo and equilibrium molecular dynamics simulations were used to compute adsorption isotherms and self-diffusivities of CH4/H2 mixtures at various compositions in three representative covalent organic frameworks (COFs). Several properties of COFs such as adsorption selectivity, working capacity, diffusion selectivity, gas permeability, and membrane selectivity were evaluated and were compared with metal organic frameworks (MOFs), zeolites, zeolite imidazolate frameworks (ZIFs), and carbon nanotubes. Results showed that COF-6 outperforms traditional zeolites CHA, LTA, and ITQ-29 and MOFs IRMOF-1, CuBTT, and MOF-177 in adsorption-based CH4 selectivity. Membrane selectivities of COF-5, COF-6, and COF-10 were found to be higher than those of zeolites and similar to ZIFs and MOFs. Adsorption isotherms and diffusivities of CH4/H2 mixtures in the pores of COF-6 were computed using both atomically detailed simulations and theoretical correlations. Results showed that theoretical correlations based on single component adsorption and diffusion data can be used to accurately predict mixture adsorption and diffusion of gases in COFs.Publication Metadata only An analytical-atomistic model for elastic behavior of silicon nanowires(IOP Publishing Ltd, 2024) Esfahani, Mohammad Nasr; Department of Mechanical Engineering; Zarepakzad, Sina; Alaca, Burhanettin Erdem; Department of Mechanical Engineering; Koç University Surface Science and Technology Center (KUYTAM) / Koç Üniversitesi Yüzey Teknolojileri Araştırmaları Merkezi (KUYTAM); n2STAR-Koç University Nanofabrication and Nanocharacterization Center for Scientifc and Technological Advanced Research; Graduate School of Sciences and Engineering; College of EngineeringSilicon nanowires entail significant potential as sensors in nanoelectromechanical systems. Despite its crucial impact in such applications, inconsistent trends in mechanical behavior reported in computational and experimental studies remain unexplained. Hence, scale effect in even the most fundamental elastic properties requires clarification. This work introduces a multiscale model to bridge the existing gap between atomistic simulations and experimental observations encountered around a critical dimension of 10 nm. The combined approach of this work is based on molecular dynamics and modified core-shell model and captures the scale effect over a substantial size range. The evolution of the modulus of elasticity is thus studied and linked to nanowire critical dimension through the parameterization of surface inhomogeneity. The developed method is also validated through an analysis of native oxide revealing an average modulus of elasticity of 75 GPa. The method's applicability can be extended to similar one-dimensional structures with unique surface states.Publication Metadata only An enhanced force model for sculptured surface machining(Taylor and Francis inc, 2004) N/A; Department of Mechanical Engineering; Güzel, Birhan Ufku; Lazoğlu, İsmail; Master Student; Faculty Member; Department of Mechanical Engineering; Manufacturing and Automation Research Center (MARC); Graduate School of Sciences and Engineering; College of Engineering; N/A; 179391The ball-end milling process is used extensively in machining of sculpture surfaces in automotive, die/mold, and aerospace industries. in planning machining operations, the process planner has to be conservative when selecting machining conditions with respect to metal removal rate in order to avoid cutter chipping and breakage, or over-cut due to excessive cutter deflection. these problems are particularly important for machining of sculptured surfaces where axial and radial depths of cut are abruptly changing. This article presents a mathematical model that is developed to predict the cutting forces during ball-end milling of sculpture surfaces. the model has the ability to calculate the workpiece/cutter intersection domain automatically for a given cutter path, cutter, and workpiece geometries. in addition to predicting the cutting forces, the model determines the surface topography that can be visualized in solid form. Extensive experiments are performed to validate the theoretical model with measured forces. for complex part geometries, the mathematical model predictions were compared with experimental measurements.