Chemistry / Kimya
Permanent URI for this collectionhttps://hdl.handle.net/11147/4072
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Article Citation - WoS: 9Citation - Scopus: 8Quantitative Determination of Phenolic Compounds in Propolis Samples From the Black Sea Region (türkiye) Based on Hptlc Images Using Partial Least Squares and Genetic Inverse Least Squares Methods(Elsevier, 2023) Güzelmeriç, Etil; Özdemir, Durmuş; Şen, Nisa Beril; Çelik, Cansel; Yeşilada, ErdemThe complex chemical composition of propolis is related to the plant source to be used by honeybees. Propolis type is defined based on the plant source with the highest proportion in its composition, which is determined by chromatographic techniques as high-performance thin-layer chromatography (HPTLC). In addition to marker component identification to specify the propolis type, quantification of its proportion is also significant for prediction and reproducible pharmacological activity. One drawback for propolis marker component quantita-tion is that during the chromatographical analysis, not the main but the other plant sources with less proportion may cause interferences during the chemical analysis. In this study, the amounts of marker components were compared with the reference analysis data obtained by high-performance liquid chromatography (HPLC) and from HPTLC images using Partial Least Squares (PLS) and Genetic Inverse Least Squares (GILS) regression methods. Firstly, HPTLC images of propolis samples were processed by an image algorithm (developed in MATLAB) where the bands of each standard and the samples were cut same dimensional pieces as 351 x 26 pixels in height and width, respectively. Simultaneously, reference analysis of the marker components in propolis samples was performed with a validated HPLC method. Consequently, the reference values obtained from HPLC versus PLS, and GILS predicted values of the eight compounds based on the digitized HPTLC images of the chromatograms were found to be matched successfully. The results of the multivariate calibration models demonstrated that HPTLC images could be used quantitatively for quality control of propolis used as a food supplement.Article Citation - WoS: 43Citation - Scopus: 48Determination of Honey Adulteration With Beet Sugar and Corn Syrup Using Infrared Spectroscopy and Genetic-Algorithm Multivariate Calibration(Wiley, 2018) Başar, Başak; Özdemir, DurmuşBACKGROUND Fourier transform infrared spectroscopy (FTIR) equipped with attenuated total reflectance accessory was used to determine honey adulteration. Adulterated honey samples were prepared by adding corn syrup, beet sugar and water as adulterants to the pure honey samples in various amounts. The spectra of adulterated and pure honey samples (n = 209) were recorded between 4000 and 600 cm(-1) wavenumber range. RESULTS CONCLUSION Genetic-algorithm-based inverse least squares (GILS) and partial least squares (PLS) methods were used to determine honey content and amount of adulterants. Results indicated that the multivariate calibration generated with GILS could produce successful models with standard error of cross-validation in the range 0.97-2.52%, and standard error of prediction between 0.90 and 2.19% (% w/w) for all the components contained in the adulterated samples. Similar results were obtained with PLS, generating slightly larger standard error of cross-validation and standard error of prediction values. The fact that the models were generated with several honey samples coming from various different botanical and geographical origins, quite successful results were obtained for the detection of adulterated honey samples with a simple Fourier transform infrared spectroscopy technique. Having a genetic algorithm for variable selection helped to build somewhat better models with GILS compared with PLS. (c) 2018 Society of Chemical IndustryArticle 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: 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.Article Citation - WoS: 8Citation - Scopus: 8Genetic Multivariate Calibration for Near Infrared Spectroscopic Determination of Protein, Moisture, Dry Mass, Hardness and Other Residues of Wheat(John Wiley and Sons Inc., 2006) Özdemir, DurmuşDetermination of wheat flour quality parameters, such as protein, moisture, dry mass by wet chemistry analyses takes long time. Near infrared spectroscopy (NIR) 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. In this study, two different wheat data sets are investigated with the aim of establishing successful calibration models using NIR spectra of wheat samples. The first data set (material 1) was obtained from the ftp address (ftp://ftp.clarkson.edu/pub/hopkepk/Chemdata/) and contained 100 NIR spectra of wheat of which wet chemical analysis of protein and moisture content were done with reference methods. The second data set (material 2) contained 176 spectra and was downloaded from http://www.spectroscopynow.com/Spy/basehtml/SpyH/1,1181, 2-1-2-0-0-newsdetail-0-74,00.html. This wheat data set was given with the quality parameters, such as protein content, moisture content, other residues, dry mass, protein content in dry mass and hardness that were determined previously. Multivariate calibration models generated with genetic inverse least squares method demonstrated very good prediction results for the parameter mentioned here. Overall, the average per cent recoveries (APR) ranged between 99.23% and 100.34% with a standard deviation (SD) ranging from 0.34 to 3.15 for all the parameters investigated, except hardness. The APR value of hardness was 103.32 with the SD of 14.97.Article Citation - WoS: 3Citation - Scopus: 11Determination of Benazepril Hcl and Hydrochlorothiazide in Pharmaceutical Preparations Using Uv-Visible Spectrophotometry and Genetic Multivariate Calibration Method(Taiwan Food and Drug Administration, 2005) Özdemir, Durmuş; Dinç, ErdalSimultaneous determination of binary mixtures of benazepril and hydrochlorothiazide in pharmaceutical tablets using UV-visible spectrophotometry, classical least squares (CLS) and three genetic algorithms (GA) based multivariate calibration methods was demonstrated. The three genetic multivariate calibration methods are Genetic Classical Least Squares (GCLS), Genetic Inverse Least Squares (GILS) and Genetic Regression (GR). The sample data set contains the UV- spectra of 28 synthetic mixtures of benazepril (12∼36 μg/mL) and hydrochlorothiazide (10∼22 μg/mL) and 16 tablets containing both compounds. The spectra cover the range from 210 to 360 nm in 0.1 mn intervals. Several calibration models were built with the four methods. The root mean square error of calibration (RMSEC) and validation (RMSEV) for the synthetic data were in the range of 0.19 and 0.34 μg/mL for all the genetic algorithm based methods. The root mean square error of Prediction (RMSEP) values for the tablets were in the range of 0.04∼0.20 mg/tablets. A comparison of genetic algorithm selected wavelengths for each component was also included.