Chemistry / Kimya
Permanent URI for this collectionhttps://hdl.handle.net/11147/4072
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Article Citation - WoS: 12Citation - Scopus: 13History of Spectroscopy and Modern Micromachined Disposable Si Atr-Ir Spectroscopy(Taylor and Francis Ltd., 2018) Koç, Mert; Karabudak, EnginIn this article, the historical development of spectroscopy is examined and the spectroscopy devices used today are described. Then, we focus on infrared (IR) spectroscopy, which cannot give valuable signal in aqueous solution. Attenuated total reflection (ATR)-IR technique solves the problem. In addition, we specifically mention newly developed disposable ATR-IR crystals and micromachined silicon (Si) ATR-IR. Disposable crystal systems and microfluidics systems can be integrated with existing miniature ATR analyzers. If the integration is successful, the technique might be used in biomedical measuring instruments, reactions' analyses, and ultra-high-pressure analyses.Article Citation - WoS: 4Citation - Scopus: 7Determination of Aluminum Rolling Oil Additives and Contaminants Using Infrared Spectroscopy Coupled With Genetic Algorithm Based Multivariate Calibration(Elsevier Ltd., 2010) Yalçın, Ayşegül; Ergün, Didem; İnanç Uçar, Özlem; Özdemir, DurmuşGenetic algorithm based multivariate calibration models were generated for infrared spectroscopic determination of aluminum rolling oil additives and contaminants such as gear and hydraulic oils. Two different additives and six different suspected contaminants were investigated in the base oil lubricant. Routine analysis samples from 9 different aluminum rolling systems were collected in a period of 2 months in an aluminum rolling plant and gas chromatography (GC) is used as the reference method. Infrared absorbance spectra of the samples were then collected and the reference values obtained with GC were used together with these spectra for model building. Inverse least squares method was optimized with a genetic algorithm by selecting the most contributing regions of the infrared spectra for each component. The R2 values between GC and multivariate spectroscopic determinations were around 0.99 indicating a good correlation between the two methods. Performance of genetic algorithm based multivariate calibration models were also compared with partial least squares (PLS) method. The study showed that infrared spectroscopy coupled with multivariate calibration can be used for continuous monitoring of additives and contaminants in aluminum rolling oil. By this way, analysis time is significantly reduced and simultaneous determination of all the components can be accomplished. © 2010 Elsevier B.V. All rights reserved.Article Citation - WoS: 21Citation - Scopus: 23Determination of Octane Number of Gasoline Using Near Infrared Spectroscopy and Genetic Multivariate Calibration Methods(Taylor and Francis Ltd., 2005) Özdemir, DurmuşThe feasibility of rating the octane number of gasoline using near infrared (NIR) spectroscopy and three different genetic algorithm-based multivariate calibration methods was demonstrated. The three genetic multivariate calibration methods are genetic regression (GR), genetic classical least squares (GCLS), and genetic inverse least squares (GILS). The sample data set was obtained from the ftp address (ftp://ftp.clarkson.edu/pub/hopkepk/Chemdata/) with the permission of Professor. J. H. Kalivas. This data set contains the NIR spectra of 60 gasoline samples collected using diffuse reflectance as log (I / R) with known octane numbers and covers the range from 900 to 1700 nm in 2 nm intervals. Of these 60 spectra, 20 were used as the calibration set, 20 were used as the prediction set, and 20 were reserved for the validation purposes. Several calibration models were built with the three genetic algorithm-based methods, and the results were compared with the partial least squares (PLS) prediction errors reported in the literature. Overall, the standard error of calibration (SEC), standard error of prediction (SEP), and standard error of validation (SEV) values were in the range of 0.15-0.32 (in the units of motor octane number) for the GR and GILS, which are comparable with the literature. However, GCLS produced relatively large results (0.36 for SEC, 0.39 for SEP and 0.52 for SEV) when compared with the other two methods.Article Citation - WoS: 49Citation - Scopus: 51Voc Sensors Based on a Metal Oxide Nanofibrous Membrane/Qcm System Prepared by Electrospinning(Royal Society of Chemistry, 2014) Horzum Polat, Nesrin; Taşçıoğlu, Didem; Özbek, Cebrail; Okur, Salih; Demir, Mustafa MuammerWe report a simple synthetic route to fabricate crystalline ZnO and CeO2/ZnO nanofibrous mats and their sensing characteristics against volatile organic compounds (VOCs) such as benzene, propanol, ethanol, and dichloromethane. Precursor fibers were fabricated by electrospinning of poly(vinyl alcohol) and metal salt(s) at 2.5 kV cm-1 in aqueous solution. The fibers were directly deposited on the crystal surface of a quartz crystal microbalance (QCM). The crystal, which was coated by nanostructured PVA/metal precursor(s) fibers, was subjected to calcination in air at 500 °C for 5 h. The formation of an oxide based nanofiber mat was revealed by scanning electron microscopy and X-ray diffraction. Upon exposure of the nanofiber mats to the VOCs, the compounds adsorbed onto the surface of oxidic fibers. The physisorption of the compounds was confirmed by FTIR and QCM. Both systems showed sensitivity to the VOCs and they hold a broad promise particularly for sensing applications of volatile alcoholic compounds. The introduction of CeO2 into the ZnO structure reduced the sensitivity of ZnO most probably due to the decrement of oxygen vacancies.