Chemistry / Kimya
Permanent URI for this collectionhttps://hdl.handle.net/11147/4072
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Article Citation - WoS: 18Citation - Scopus: 22Prediction of Lignin and Extractive Content of Pinus Nigra Arnold. Var. Pallasiana Tree Using Near Infrared Spectroscopy and Multivariate Calibration(Taylor and Francis Ltd., 2009) Üner, Birol; Karaman, İbrahim; Tanrıverdi, H.; Özdemir, DurmuşDetermination of quality parameters such as lignin and extractive content of wood samples by wet chemistry analyses takes a long time. Near infrared (NIR) spectroscopy coupled with multivariate calibration offers a fast and nondestructive alternative to obtain reliable results. However, due to the complexity of the spectra obtained from NIR, some wavelength selection is generally required to improve the predictive ability of multivariate calibration methods. Pinus nigra Arnold. Var. pallasiana is the second most growing pine species in Turkey. Even though its rotation period is very high, around 120 years, the forest products industry has widely accepted the use of Pinus nigra because of its ability to grow on a wide range of sites and its suitability to produce desirable products. In this study, 51 samples of Pinus nigra trees were collected and their lignin and extractive content were determined with standard reference (TAPPI) methods. Then, the same samples were scanned with near infrared spectrometer between 1000 and 2500 nm in diffuse reflectance mode. Multivariate calibration models were built with genetic inverse least squares method for both lignin and extractive content using the concentration information obtained from wet standard reference method. Overall, standard error of calibration (SEC) and standard error of prediction (SEP) were ranged between 0.35% (w/w) and 2.4% (w/w).Article Citation - WoS: 11Citation - Scopus: 13Near Infrared Spectroscopic Determination of Diesel Fuel Parameters Using Genetic Multivariate Calibration(Taylor and Francis Ltd., 2008) Özdemir, DurmuşThe use of full spectral region from near infrared spectroscopic analysis does not always end up with a good multivariate calibration model as many of the wavelengths do not contain necessary information. Due to the complexity of the spectra, some of the wavelengths or regions may, in fact, disturb the model-building step. Genetic algorithms are one of the useful tools for solving wavelength selection problems and may improve the predictive ability of conventional multivariate calibration methods. This study demonstrates application of genetic algorithm-based multivariate calibration to near infrared spectroscopic determination of several diesel fuel parameters. The parameters studied are cetane number, boiling and freezing point, total aromatic content, viscosity, and density. Multivariate calibration models were generated using genetic inverse least squares (GILS) method and used to predict the diesel fuel parameters based on their near infrared spectra. For each property, a different data set was used and in all cases the number of samples was around 250. Overall, percent standard error of prediction (%SEP) values ranged between 2.48 and 4.84% for boiling point, total aromatics, viscosity, and density. However, %SEP results for cetane number and freezing point were 11.00% and 14.86%, respectively.Article Citation - WoS: 2Citation - Scopus: 2Polarized Absorption Spectra of Highly Oriented Two-Dimensional Aggregates of Tetrachlorobenzimidazolocarbocyanine in Thin Films(Elsevier Ltd., 2008) Özçelik, Serdar; Gülen, DemetReaching a control on the mesoscopic morphology and internal molecular arrangement of cyanine aggregates is an important step for realization of devices with tailor-made optical properties. Despite a wealth of research, understanding of the relationship between molecular organization, excitonic states and dynamics of aggregates is still preliminary. To this end, we have employed polarized absorption spectroscopy to investigate the relationship between internal molecular organization and excitonic states of J-aggregates in 1,1′,3,3′tetraethyl-5,5′,6,6′-tetrachlorobenzimidazolocarbocyanine (TTBC) thin films in poly-vinyl alcohol (PVA). Angular dependence of the UV-vis spectra has been measured at 11 different orientations between the electric field polarization and the macroscopic alignment axis. Aggregate spectral response consisted of an asymmetrically split Davydov pair of bands exhibiting opposite polarization: an H-band (505 nm, Lorentzian-like, polarized along the macroscopic film axis) and a J-band (594 nm, one-dimensional J-aggregate like band shape, polarized perpendicular to the macroscopic film axis). The polarized absorption observations were found to be consistent with a herringbone model for which the internal molecular arrangement, the excited state structure and dynamics have recently been detailed by us upon interpretation of isotropic absorption data in ionic aqueous solution.Article Citation - WoS: 4Citation - Scopus: 6Absorption Spectrum of Monomeric Pseudoisocyanine: a New Perspective and Its Implications for Formation and Spectral Response of J-Aggregates in Solution and in Thin Films(Elsevier Ltd., 2008) Gülen, Demet; Özçelik, SerdarWe argued against the current spectral assignment for absorption spectrum of monomeric PIC which is widely accepted since the pioneering works of Scheibe and Jelley [G. Scheibe, Angew. Chem. 49 (1936) 563; E.E. Jelly, Nature 138 (1936) 1009]. A new spectrum is presented along with its conceptual basis. The hypothesized spectrum attributes the previous 0-0 (≈525 nm) and 0-1 (≈490 nm) assignments, respectively, to intermediates acting as the precursor of J-aggregates and to the 0-0 transition of monomeric PIC and brings the spectrum in accord with the seemingly universal spectral fingerprint of cyanines. The hypothesis is used to analyze and interpret the temperature dependence of the UV-vis absorption of PIC aggregates in saline aqueous solution by incorporating the J-band simulations within frenkel exciton formalism. Its implications for aggregate formation kinetics are given on the basis of current spectroscopic evidence. The hypothesis readily answers several long-standing questions: Why compared to many other cyanines at least an order of magnitude higher dye concentration is needed to form J-aggregates of PIC? Why are there no precursors, since aggregation is expected to be a consecutive process? A large number of observations on steady-state and time-resolved spectral properties, and aggregation kinetics in solution/thin films are likely to find reasonable explanations within this hypothesis.Article Citation - WoS: 12Citation - Scopus: 12Modification of Metal/Semiconductor Junctions by Self-Assembled Monolayer Organic Films(Elsevier Ltd., 2009) Yakuphanoğlu, Fahrettin; Okur, Salih; Özgener, HüseyinTwo new metal/molecule/semiconductor contacts, Au/n-Si/TDA/Au and Au/p-Si/ODM/Au, were fabricated to understand effect of organic compounds, tridecylamine and octadecylmercaptan self-assembled monolayer (SAM) films, on electrical charge transport properties of the metal/semiconductor junctions. The morphology of the organic monolayers deposited on Si substrates was investigated by atomic force microscopy. The molecular coverage of ODM deposited on p-Si is poorer than that of TDA on n-Si substrate. The ideality factors of the p-Si/ODM and n-Si/TDA diodes were found to be 1.66 and 1.48, respectively. The electrical results show that the tridecylamine monolayer passivated junction has a lower ideality factor. The ideality factor indicates clear dependence on two different type functional groups R-SH (Thiol) and R-NH2 (Amin) groups and it increases with different functional groups of organic molecule. The barrier height φb value of the n-Si/TDA diode is smaller than that of p-Si/ODM diode, as a result of chain length of the SAM organic molecules. The interface state density Dit values of the diodes were determined using conductance technique. The n-Si/TDA diode has the smaller interface state density according to p-Si/ODM diode. We have evaluated that the organic molecules control the electronic parameters of metal/semiconductor diodes and thus, organic modification helps to get one step closer towards to new organic assisted silicon based microelectronic devices.Article Citation - WoS: 27Citation - Scopus: 30Rhodium Catalyzed Reaction of Internal Alkynes With Organoborons Under Co Atmosphere: a Product Tunable Reaction(Elsevier Ltd., 2009) Artok, Levent; Kuş, Melih; Aksın, Özge; Dege, Fatma Nurcan; Özkılınç, Fatma YeldaAlkynes react with organoborons under a CO atmosphere in the presence of a rhodium(I) catalyst to afford mainly 5-aryl-2(5H)-furanones, α,β-unsaturated ketones, and indanones. The product selectivity can be tuned by modifying the reaction conditions.Article Citation - WoS: 63Citation - Scopus: 73Near Infrared Spectroscopic Determination of Olive Oil Adulteration With Sunflower and Corn Oil(Taiwan Food and Drug Administration, 2007) Özdemir, Durmuş; Öztürk, BetülDetermination of authenticity of extra virgin olive oils has become very important in recent years due to the increasing public concerns about possible adulterations with relatively cheap vegetable oils such as sunflower oil. This study was focused on the application of near infrared (NIR) spectroscopy in conjunction with multivariate calibration to identify the adulteration of olive oils. NIR transmittance measurements were made on pure olive oil and olive oil adulterated with varying concentrations (4-96%, v/v) of sunflower and corn oil in two sets of 26 binary and ternary mixtures. Multivariate calibration models were generated using genetic inverse least squares (GILS) method and used to predict the concentration of adulterants along with the concentration of olive oil in the samples. Over all, standard error of predictions ranged between 2.49 and 2.88% (v/v) for the binary mixtures of olive and sunflower oil and between 1.42 and 6.38% (v/v) for the ternary mixtures of olive, sunflower and corn oil.Other Erratum: Optical Transition Rates of a Meso-Substituted Thiacarbocyanine in Methanol-In Reverse Micelles (journal of Luminescence (2005) 113 (1-8)(Elsevier Ltd., 2005) Özçelik, Serdar; Atay, N. ZeynepThe correct correspondence information for the first author is: Serdar Özçelik Chemistry Department, Izmir Institute of Technology, Urla-35430 Izmir, Turkey E-mail address: serdarozcelik@iyte.edu.tr Tel.: +90 232 750 7557 fax: +90 232 750 7509Article Citation - WoS: 8Optical Transition Rates of a Meso-Substituted Thiacarbocyanine in Methanol-In Reverse Micelles(Elsevier Ltd., 2005) Özçelik, Serdar; Atay, N. ZeynepWe report the photophysical properties of 3,3′-diethyl-5,5′-dichloro-9-phenylthiacarbocyanine (DDPT) in methanol-in-oil (m/o) reverse micellar systems which form methanol droplets stabilized with anionic surfactant aerosol-OT (AOT) in n-heptane. The fluorescence quantum yield of DDPT is enhanced by a factor of 17 in the methanol droplet in comparison with bulk methanol. The fluorescence lifetimes of DDPT in m/o reverse micelles are prolonged up to 2.2 ns with increasing molar ratio of methanol to surfactant (w0=[MeOH]/[AOT]), whereas the fluorescence lifetime of DDPT in bulk methanol is 75 ps. The non-radiative rate constants of DDPT in the droplets are decreased by a factor of 40, resulting in a remarkable enhancement in quantum yields, indicating that internal motions of DDPT in the droplets are significantly reduced due to strong electrostatic interactions between the positively charged DDPT and the negatively charged sulfonate head-groups of AOT and the spatial confinement induced by the reverse micellar structure.Article Citation - WoS: 25Citation - Scopus: 20Rhodium-Catalyzed Carbonylative Arylation of Alkynes With Arylboronic Acids: an Efficient and Straightforward Method in the Synthesis of 5-Aryl(Royal Society of Chemistry, 2006) Aksın, Özge; Dege, Nurcan; Artok, Levent; Türkmen, Hayati; Çetinkaya, Bekir5-Aryl-2(5H)-furanones can be synthesized by the Rh-catalyzed reactions of arylboronic acids with internal alkynes under a CO atmosphere.
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