Browsing by Author "Kaya, Yunus"
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Item Analytical information on the asphaltenes from a few standard characterization techniques(Taylor & Francis, 2011-01) Peksöz, Ahmet; Akay, Sertan Kemal; Kaya, Yunus; Ovalıoǧlu, Hüseyin; Kaynak, Gökay; Yalçıner, Aytaç; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Anabilim Dalı.; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Fizik Anabilim Dalı.; AAG-9772-2021; R-7260-2016; 23100976500; 24801954600; 35181446100; 24460278400; 12042075600; 14055078800The asphaltene has been obtained from asphalt cement with penetration grade 60, which is extracted from crude Libya petroleum. The elemental composition and some structural properties of the asphaltene samples are determined by various methods, such as SEM, infrared spectroscopy, and X-ray analysis. Some experiments are performed on (1)H dynamic nuclear polarization (DNP) in a number of asphaltene suspensions in organic solvents. The frequency dependence of the DNP enhancement under conditions of weak EPR saturation in a low magnetic field is obtained and interpreted as the EPR line shape of some free radicals present in the samples.Item Bazı yeni iminooksim-palladyum(II) ve platin(II) komplekslerinin yapısal ve spektroskopik özelliklerinin deneysel ve kuramsal incelenmesi(Uludağ Üniversitesi, 2014) Kaya, Yunus; Yılmaz, Veysel T.; Uludağ Üniversitesi/Fen Bilimleri Enstitüsü/Kimya Anabilim Dalı.çalışmada dört yeni iminooksim ligandı, fenil-(1-fenil-etilimino)etanal oksim (ffeieoH), (2-hidroksi-etilimino)-2-fenil-etanal oksim (heifeoH), 2-(hidroksiimino)-1-feniletiliden]asetohidrazon (hifeahH2), (2-hidroksi-etilimino)-naftalin-2-il-etanal oksim (heineoH) ve bu dört ligandın palladyum(II) ve platin(II) iyonları ile oluşturduğu sekiz yeni kompleksi sentezlendi. Ligantların ve komplekslerin yapıları elementel analiz, IR, NMR ve UV-Gör bölge spektroskopi teknikleri ve X-ışını tek kristal kırınım yöntemi ile aydınlatıldı. Ayrıca ligant ve komplekslerin floresans özellikleri araştırıldı. X-ışını kırınımı çalışmaları, ffeieoH ligandının palladyum(II) ve platin(II) tuzları ile EtOH/su ortamında tepkimesi esnasında ligandın hidrolize uğradığını ve hidroliz ürünlerinin yapıya katıldığını gösterdi. HeifeoH ve heineoH ligantlarının palladyum(II) ve platin(II) iyonları ile beklenildiği gibi 1:2 metal:ligant oranında kare düzlem geometride kompleksler oluşturduğu ve ligantların oksim protonunlarını kaybettiği belirlendi. Ayrıca, heifeoH ligandının palladyum(II) kompleksinin iki polimorf kristalleri farklı iki renkte ve şekilde oluştuğu gözlendi. Polimorf kristallerin, X-ışını kristal analizi ile Ci ve C1 nokta gruplarında olduğu belirlendi. Palladyum(II) kompleksinde polimorfizme hidroksietil grubunun farklı konformer yapılarının neden olduğu gözlendi. X-ışını tek kristal analiz sonuçları ile hifeahH2 ligandının palladyum(II) ve platin(II) komplekslerinde, ligandın 1:2 metal:ligant oranında kompleksler oluşturduğu, ligandın birinin oksim diğerinin hidrazin protonunu kaybederek imin ve hidrazin azotlarından metal iyonlarına katılması ile beşli ve altılı iki şelat oluşturduğu belirlendi. Yapısı aydınlatılan ligant ve komplekslerin kuramsal spektroskopik özellikleri (IR, NMR, UV-Görünür bölge ve floresans) incelendi. Tüm hesaplamalar Yoğunluk Fonksiyon Kuramı' na göre yapıldı. Optimizasyon, frekans ve NMR hesaplamalarında, ligantlar için 6-311++G(d,p) ve LANL2DZ taban kümeleri kullanılırken, kompleksler için LANL2DZ taban kümesi seçildi. UV-Gör bölge ve floresans spektrumları ZB-YFK/LANL2DZ yöntem ve taban kümesinde incelendi. Ligantların kuramsal izomer çalışmaları 6-311++G(d,p) taban kümesinde yapıldı. Tek kristali elde edilemeyen heifeoH ligandı için konformer çalışmaları 6-31G(d,p) taban kümesinde yapılarak 1296 molekül arasından en olası geometri belirlendi. Ayrıca hifeahH2 ligandının palladyum(II) ve platin(II) komplekslerinin beş farklı bağlanma izomer çalışması yapıldı. FfeieoH ligandının nötral ve asidik ortamdaki hidroliz mekanizması B3LYP/6-311G(d,p) yöntem ve taban kümesinde çalışıldı. Asidik ortamda yaklaşık 63 kJ/mol daha düşük aktivasyon enerjisi hesaplanan ffeieoH molekülünün hidroliz tepkimesine göre sulu ortamda hidrolize uğrayabileceği belirlendi. Ligant ve komplekslerin normal koordinat analizi çalışmaları ile şiddeti 5' in üzerinde olan tüm titreşim modları işaretlendi. Moleküllerin deneysel UV-Gör bölge spektrumlarından ve kuramsal singlet-singlet enerji hesaplamalarından elektronik geçişlerin ligantlarda π–π*, komplekslerde ise π–π*, metalden-liganda (MLCT) ve liganttan-metale (LMCT) yük aktarım geçişlerinden kaynaklandığı belirlendi. Kompleksler oda sıcaklığında herhangi floresans özellik göstermezken, ffeieoH ve heineoH ligantları zayıf floresans özellik göstermektedir. Kuramsal singlet-triplet enerji hesaplamaları ile de ligantlardaki floresans özelliklerin π–π* geçişlerinden kaynaklandığı belirlendi. Elektronik geçişlere katılan HOMO-LUMO orbitalleri görüntülendi.Publication Cationic Pd(II)/Pt(II) 5,5-diethylbarbiturate complexes with bis(2-pyridylmethyl)amine and terpyridine: Synthesis, structures,DNA/BSA interactions, intracellular distribution, cytotoxic activity and induction of apoptosis(Elsevier Science, 2015-11) Büyükgüngör, Orhan; İçsel, Ceyda; Yılmaz, Veysel Turan; Kaya, Yunus; Durmuş, Selvi; Sarımahmut, Mehmet; Ulukaya, Engin; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Bölümü; Uludağ Üniversitesi/Tıp Fakültesi/Tıbbi Biyokimya Anabilim Dalı; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Biyoloji Bölümü.; 0000-0003-3792-1607; 0000-0003-2647-5875; 0000-0002-2849-3332; 0000-0002-2717-2430; AAI-3342-2021; L-7238-2018; DWM-5900-2022; JCN-7113-2023; K-5792-2018; 55551960400; 7006269202; 35181446100; 49060997200; 44661687400; 6602927353Four new cationic Pd(II) and Pt(II) 5,5-diethylbarbiturate (barb) complexes, [M(barb)(bpma)]X center dot H2O [M = pd(II), X = Cl (1); M = Pt-II, X = NO3- (2)] and [M(barb)(terPY)]NO3 center dot 0.5H(2)O [M = Pd-II (3); M = Pt-II (4)], where bpma = bis(2-pyridylmethyl)amine and terpy = terpyridine, were synthesized and characterized by elemental analysis, IR, UV-vis, NMR, ESI-MS and X-ray crystallography. The DNA binding properties of the cationic complexes were investigated by spectroscopic titrations, displacement experiments, viscosity, DNA melting and electrophoresis measurements. The results revealed that the complexes effectively bind to FS-DNA (fish sperm DNA) via intercalative/minor groove binding modes with intrinsic binding constants (Kb) in the range of 0.50 x 10(4) - 1.67 x 10(5) M-1. Absorption, emission and synchronous fluorescence measurements showed strong association of the complexes with protein (BSA) through a static mechanism. The mode of interaction of complexes towards DNA and protein was also supported by molecular docking. Complexes 1 and 3 showed significant nuclear uptake in HT-29 cells. In addition, 1 and 3 showed higher inhibition than cisplatin on the growth of MCF-7 and HT-29 cells and induced apoptosis on these cells much more effectively than the rest of the complexes as evidenced by pyknotic nuclear morphology. The levels of caspase-cleaved cytokeratin 18 (M30 antigen) in HT-29 cells treated with 1 and 3 increased in a dose-dependent manner, suggesting apoptosis. Moreover, qRT-PCR experiments showed that I and 3 caused significant increases in the expression of TNFRSF10B in HT-29 cells, indicating the initiation of apoptosis via cell surface death receptors.Publication Characteristics and seasonal variation of microplastics in the wastewater treatment plant: The case of Bursa deep sea discharge(Pergamon-elsevier Science Ltd, 2023-07-14) Üstün, Gökhan Ekrem; ÜSTÜN, GÖKHAN EKREM; Kaya, Yunus; Can, Tuğba; Bursa Uludağ Üniversitesi/Mühendislik Fakültesi/Çevre Mühendisliği Bölümü.; 0000-0002-7126-6792; GRS-0367-2022Microplastics (MPs) are an emerging pollutant that can be detected in all ecosystems, especially aquatic ecosystems. Wastewater treatment plants (WWTPs) are important point sources of MP release into the sea. In this study, the characteristics of MPs in wastewater and sludge samples taken from different units of WWTP in BursaGemlik district for 12 months were investigated. Wastewater and sludge samples collected from 7 different points were classified as size, shape, color, and counted. The amount of MP in the influent and effluent of the WWTP, respectively; 107.1 & PLUSMN; 40.2 MP/L and 4.1 & PLUSMN; 1.1 MP/L. Although the MP removal efficiency of the WWTP is 96.17 %, approximately 74,825,000 MP is discharged into the Marmara Sea every day. The amount of MP in the sludge is 14.3 & PLUSMN; 7.1 MP/g. The amount of MP accumulated in 22tons of waste sludge formed daily in WWTP was calculated as 314,600,000 MP, and the annual accumulated amount was calculated as approximately 1.15 x 1011 MP. The MPs in the WWTP were mainly 1-0.5 mm in size. Fibers were the dominant MP shape in both the wastewater and sludge samples. Black and transparent were the dominant MP colors. Seven different polymer types of MPs were detected, which were mainly types of polyethylene, polypropylene, and polyethylene terephthalate. Despite the high removal efficiency in the investigated WWTP, it has been shown that it acts as an important source of MPs to the sea ecosystem due to the high discharge rates.Item Cluster ions in gas-based detectors(IOP Publishing, 2015-07-01) Arslandok, Mesut; Cortez, A. F. V.; Veenhof, R.; Kalkan, Yalçın; Kaya, Yunus; Tapana, I.; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Fizik Bölümü.; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Bölümü.; 000-0001-8469-8132; 0000-0002-6624-2884; AAH-3852-2020; 56736206100; 35181446100; 8905787000Avalanches in gas-based detectors operating at atmospheric pressure and using Ar-CO2 or Ne-CO2 as drift medium produce in a first instance mainly Ar+, Ne+ and CO2+ ions. The noble gas ions transfer their charge to CO2 in a few ns. A few ns later, the CO2+ ions have picked up CO2 molecules, forming cluster ions, in particular CO2+ center dot (CO2)(n). Since the cluster ions are slower than the initial ions, the signals induced by ion motion are altered. The effect is shown to be present in constant-field detectors and TPC readout chambers, and is expected to affect devices such as Micromegas and drift tubes.Item A combined experimental and theoretical investigation of a new imineoxime and its palladium(II) and platinum(II) complexes: Synthesis, structural characterization and spectroscopic properties(Pergamon-Elsevier Science Ltd, 2014-05-14) Büyükgüngör, Orhan; Kaya, Yunus; İçsel, Ceyda; Yılmaz, Veysel Turan; Uludağ Üniversitesi/Fen Edebiyat Fakültesi/Kimya Bölümü.; 0000-0002-2849-3332; 0000-0002-2717-2430; AAI-3342-2021; L-7238-2018; 35181446100; 55551960400; 7006269202A new imineoxime compound {(1E,2E)-(2-hydroxy-ethylimino)-naphthalene-2yl-ethanal oxime (heineoH)} and its palladium(II) and platinum(II) complexes ([M(heineo)(2)]) have been synthesized and characterized by IR, NMR, UV-vis, elemental analysis, mass spectra and X-ray single crystal diffraction. [Pt(heineo)(2)] was obtained as a single crystal, while [Pd(heineo)(2)] was synthesized as a polycrystalline powder. The X-ray diffraction analysis of the [Pt(heineo)2] indicated that the platinum(II) ion is coordinated by two heineo ligands in a distorted square-planar geometry. DFT (B3LYP/6-311++G(d,p) and LANL2DZ) calculations on the ligand and its complexes were carried out to correlate the geometry and vibrational and electronic properties. Additionally, heineoH is fluorescent in EtOH at room temperature, but the fluorescence is quenched in the case of the metal complexes. (C) 2014 Elsevier B.V. All rights reserved.Item Density functional study of the reaction mechanism of two oxiimine alcohol formations and their novel rearrangements(Wiley, 2016-02-04) Kaya, Yunus; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Bölümü.; GXH-7079-2022; 35181446100In this study, the reaction mechanisms of isonitrosoacetophenone (inapH) with ethanolamine (ea) and 1-phenylethanolamine (pea) have been investigated theoretically using B3LYP/6-311G(d, p) method to explain why the formation and unexpected rearrangement products occur or not occur. While the reaction between isonitrosoacetophenone (inapH) with ethanolamine gives oximine alcohol (Ib), the reaction of 1-phenylethanolamine with inapH results in the formation of oximine alcohol with a different substituent (Ia) and amido alcohol (IIa), which is the unexpected rearrangement product. The rearrangement driving forces of compounds from Ia to IIa are calculated as ca. 28 and 23 kJ/mol in the gas and EtOH phases, respectively. These driving forces have been calculated ca. 46 and 45 kJ/mol for the rearrangement of compound Ib to obtain IIb in the same phases, respectively. This high driving force shows that the compound IIb cannot be obtained from rearrangement of compound Ib as described experimentally in the literature. In addition, as the DFT functionals poorly describe dispersion effects, dispersion correction for reaction heat and free-energy barrier was estimated using the wB97X-D/6-311G(d, p). In general, the relative free energies of all molecules calculated from wB97XD method are lower than performed from B3LYP level. The changes of thermodynamic properties for all molecules with temperature ranging from 100 to 500 K have been obtained using the statistical thermodynamic method.Item Determination and analysis of dispersive optical constants of some organic thin films(Natl Inst Optoelectronics, 2010-04) Kaya, Yunus; Peksöz, Ahmet; İrez, Gazi; Kaynak, Gökay; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Bölümü.; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Fizik Bölümü.; AAG-9772-2021; 35181446100; 23100976500; 6602755323; 12042075600The optical behaviour of the complexes of (2E)-3-aza-1-(hydroxyimino)-2,4-diphenylpent-2-ene (HL) was investigated by optical reflectance and transmittance measurements. The optical constants (refractive index, n; extinction coefficient, k and dielectric constant, e) of some organic thin films were determined using reflectance and transmittance spectra. The optical absorption studies show that the transition is direct with band gap energy values, which are calculated. Analysis of the basis absorption spectra was also carried out to determine optical band gap (E-g) and Urbach parameter (E-o). The analysis of the optical absorption data revealed optical direct transition with band gaps of 3.7-3.9 eV. A surface observation of these thin films was also carried out by an Atomic Force Microscope.Item Devlet ilköğretim kurumlarında görev yapan yöneticilerin karar verme süreçlerinin niteliğine ilişkin öğretmen görüşlerinin incelenmesi(Bursa Uludağ Üniversitesi, 2022-04-29) Kaya, Yunus; Turan, Selahattin; Bursa Uludağ Üniversitesi/Eğitim Bilimleri Enstitüsü/Eğitim Bilimleri Anabilim Dalı/Eğitim Yönetimi Bilim Dalı.; 0000-0002-9009-085XBu araştırmanın temel amacı; okullarda karar verme süreçlerinin niteliğine ilişkin öğretmen görüşlerinin tespit etmek, öğretmenlerin süreç içerisindeki rollerinin belirlemek, okulun hedeflerini gerçekleştirmesi açısından alınan kararların verimliliğinin arttırılması için yapılabilecekleri incelemektir. Bu çalışmada nitel araştırma türlerinden temel nitel araştırma kullanılmıştır. Temel Nitel Araştırma; anlama ve sürece odaklanma amaçlı örnekleme, mülakat, gözlem ve dokümanlar aracılığı ile verileri toplama tümevarımsal ve karşılaştırmalı veri çözümlemesi, bulguların etraflı betimlenmesi tema ve kategorileştirilerek sunulmasıdır. ix Verilerin toplanmasında, yarı yapılandırılmış görüşme formu kullanılmıştır. Araştırmanın çalışma grubunu, 2020-2021 Eğitim Öğretim yılında, Bursa ilinde bulunan resmi İlköğretim okullarında çeşitli kademelerinde görev yapmakta olan 9 öğretmen oluşturmaktadır. Araştırma sonucunda okullarda öğretmenlerin doğrudan kendilerini veya branşlarını ilgilendiren kararlarda ve akademik kararlarda, karar alma sürecine daha çok dahil edildikleri ama bunların dışındaki durumlarda karar alma sürecine çok fazla dahil edilmedikleri sonucuna ulaşılmıştır. Ayrıca okullarda öğretmenlerin alınan kararlara dahil edilmesi süreçlerinde son karar verici unsurun yine okul idaresi olduğu öğretmenler tarafından belirtilmiştir. Alınan kararların niteliği ve uygulanabilirliği açısından öğretmenlerin karar alma sürecine dahil edilmesi gerektiği saptanmıştır. Ayrıca çalışmada okullarda daha nitelikli kararların alınabilmesi için yönetici ve öğretmen niteliği, ekonomik altyapı, demokratik karar alma süreçleri ve kanunlarla öğretmenlerin ve yöneticilerin özlük haklarının korunması gerektiği sonuçlarına ulaşılmıştır.Item Experimental and theoretical DFT studies of structure, spectroscopic and fluorescence properties of a new imine oxime derivative(Elsevier, 2012-09-26) Arslan, Taner; Büyükgüngör, Orhan; Kaya, Yunus; Yılmaz, Veysel T.; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Bölümü.; 0000-0002-2849-3332; L-7238-2018; 7006269202; 35181446100A new imine oxime, (1E,2E)-phenyl-[(1-phenylethyl)imino]-ethanal oxime (I), is synthesized and characterized. The title compound crystallizes in the monoclinic space group P2(1)/c with a = 12.3416(7), b = 9.5990(6), c = 11.9750(7), beta = 92.417(4) and Z = 4. Crystallographic, vibrational (IR), and NMR (H-1 and C-13 chemical shifts) data are compared with the results of density functional theory (DFT) method at the B3LYP/6-311++G(d,p) level. The structure of I is stabilized by intermolecular O-H center dot center dot center dot N hydrogen bonds. The theoretical calculations show that the compound exhibits a number of isomers, and the molecular geometry of the most stable optimized isomer (s-trans-E,E) can well reproduce the X-ray structure. The calculated vibrational bands and NMR chemical shifts are consistent with the experimental results. The NBO/NPA atomic charges are performed to explore the possible coordination modes of the compound. The electronic (UV-vis) and photoluminescence spectra calculated using the TD-DFT method are correlated to the experimental spectra. The DMSO solutions of I are fluorescent at room temperature. The assignment and analysis of the frontier HOMO and LUMO orbitals indicates that both absorption and emission bands are originated mainly from the pi-pi transitions.Item Giant magneto-impedance effect in diamagnetic organic thin film coated amorphous ribbons(Elsevier Science, 2010-04) Peksöz, Ahmet; Kaya, Yunus; Tayşioğlu, Aslı Ayten; Derebaşı, Naim; Kaynak, Gökay; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Bölümü.; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Fizik Bölümü.; 0000-0003-2546-0022; AAI-2254-2021; AAG-9772-2021; 23100976500; 35181446100; 18038658800; 11540936300; 12042075600We grew a diamagnetic thin film on the surface of Co-based amorphous ribbon (Fe(5.85)Co(70.15)Mo(4)B(15)Si(5)) to investigate the effect of this coating on giant magneto-impedance (GM!). We investigated GMI over a frequency range of 0.1-3.0 MHz and under a static magnetic field. The results show that GMI for amorphous ribbons can be enhanced by this coating process. A changing in GMI as high as 90% was observed in diamagnetic organic thin film coated Co-based amorphous ribbons at 2 MHz. The very large enhancement of the GMI value is a consequence of the closed magnetic flux path under the organic film layer. In this work, we concentrated on enhancing the GMI effect. First, we show that sensitivities of the ribbons can be improved by using the coating technique. In addition, the surfaces of these samples were imaged and analyzed by an atomic force microscopy.Item Giant magnetoimpedance effect in thin zinc oxide coated on co-based (2705 X) amorphous ribbons(IEEE, 2010-02) Tayşioğlu, Aslı Ayten; Kaya, Yunus; Peksöz, Ahmet; Akay, Sertan Kemal; Derebaşı, Naim; İrez, Gazi; Kaynak, Gökay; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Bölümü.; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Fizik Bölümü.; 0000-0003-2546-0022; AAG-9772-2021; AAI-2254-2021; R-7260-2016; 18038658800; 35181446100; 23100976500; 24801954600; 11540936300; 6602755323; 12042075600ZnO film coated Co-based (2705 X) amorphous ribbons are prepared by the successive ionic layer adsorption and reaction technique. The influence of coating on giant magneto-impedance (GMI) has been investigated over a frequency range from 0.1 to 3.5 MHz and under a static magnetic field between -8 and +8 kA/m. The highest GMI ratio of 15.63% was obtained in the coated Co-based amorphous ribbons which is 80% higher than the sample without coating. The results indicate that the surface coating process plays an important role in the GMI effect.Item GMI effect in CuO coated Co-based amorphous ribbons(Elsevier, 2009-11-13) Taysioğlu, Aslı Ayten; Peksöz, Ahmet; Kaya, Yunus; Derebaşı, Naim; İrez, Gazi; Kaynak, Gökay; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Fizik Bölümü.; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Bölümü.; 0000-0003-2546-0022; AAI-2254-2021; AAG-9772-2021; 18038658800; 23100976500; 35181446100; 11540936300; 6602755323; 12042075600A Copper oxide (CuO) film has been grown on a surface of Co-based amorphous ribbon using chemical successive ionic layer adsorption and reaction technique, at room temperature and atmosphere pressure. The influence of coating and width of ribbon on giant magneto impedance have been investigated over a frequency range from 0.1 to 3 MHz and under a static magnetic field between -8 and +8 kA/m. The results showed that Co-based amorphous ribbons, which are coated CuO film, have a significant effect on the magnitude and operation frequency for the giant magneto impedance effect as compared to the samples without coating. The highest giant magneto impedance effect was found to be 14.90 on 5 mm width coated ribbon, which is 60% higher than the sample without coating. A surface observation of these samples has been carried out by an atomic force microscope. The AFM images reveal the difference between surfaces of coated and as-cast sample.Item High diastereoselectivity induced by intermolecular hydrogen bonding in [3+2] cycloaddition reaction: experimental and computational mechanistic approaches(Wiley, 2017-06-01) Kaya, Yunus; Yıldırım, Ayhan; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Bölümü.; 0000-0002-2328-9754; W-8924-2019; 23101773900A diastereoselective [3 + 2] cycloaddition of N-aryl substituted maleimides with N, a-diphenyl nitrone possessing 11-hydroxyundecyloxy as a flexible substituent was performed. Experimental and comprehensive mechanistic density functional theory studies reveals that intermolecular H-bonding and steric repulsive interaction predominate exo-Z and exo-E cycloaddition transition states, respectively. The reaction proceeded smoothly depending on the reactants and gave a good yield of (syn) cis-isoxazolidine or (anti) trans-isoxazolidine as a single diastereomer.Item New palladium(II) and platinum(ii) 5,5-diethylbarbiturate complexes with 2-phenylpyridine, 2,2′-bipyridine and 2,2′-dipyridylamine: Synthesis, structures, DNA binding, molecular docking, cellular uptake, antioxidant activity and cytotoxicity(Royal Soc Chemistry, 2015) Harrison, William T. A.; Büyükgüngör, Orhan; İçsel, Ceyda; Yılmaz, Veysel Turan; Kaya, Yunus; Şamlı, Hale; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Bölümü.; Uludağ Üniversitesi/Veteriner Fakültesi/Genetik Anabilim Dalı.; 0000-0002-2849-3332; 0000-0002-2717-2430; AAH-6488-2021; L-7238-2018; AAI-3342-2021; 55551960400; 7006269202; 35181446100; 6507670789Novel palladium(II) and platinum(II) complexes of 5,5-diethylbarbiturate (barb) with 2-phenylpyridine (Hppy), 2,2'-bipyridine (bpy) and 2,2'-dipyridylamine (dpya) have been prepared and characterized by elemental analysis, IR, UV-Vis, NMR and ESI-MS. Single-crystal diffraction measurements show that complex 1 consists of binuclear [Pd-2(mu-barb-kappa N,O)(2)(ppy-kappa N,C)(2)] moieties, while complexes 3-5 are mononuclear, [M(barb-.kappa)(2)(L-kappa N,N')] (L = bpy or dpya). 6 has a composition of [Pt(dpya-kappa N,N')(2)][Ag(barb-kappa N)(2)](2)center dot 4H(2)O and 2 was assumed to have a structure of [Pt(barb-kappa N)(Hppy-kappa N)(ppy-kappa N,C)]center dot 3H(2)O. The complexes were found to exhibit significant DNA binding affinity by a non-covalent binding mode, in accordance with molecular docking studies. In addition, complexes 1 and 2 displayed strong binding with supercoiled pUC19 plasmid DNA. Cellular uptake studies were performed to assess the subcellular localization of the selected complexes. A moderate radical scavenging activity of 1 and 2 was confirmed by DPPH and ABTS tests. Complexes 1, 2, and 5 showed selectivity against HT-29 (colon) cell line.Item A novel reaction of α-carbonyl oxime and amido alcohol: Synthesis, characterization, crystal structure, and thermal studies of an amido alcohol, a new oximino alcohol ligand, and its metal complexes(Taylor & Francis, 2011) Büyükgüngör, Orhan; Kaya, Yunus; İrez, Gazi; Mutlu, Hasene; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Bölümü.; 0000-0002-0026-7755; AAH-2888-2021; 35181446100; 6602755323; 57212275330In this study, a novel reaction was observed between isonitrosoacetophenone and 1-phenylethanol amine. Acetophenone was used as a starting material to synthesize isonitrosoacetophenone by reaction of acetophenone with n-butyl nitrite in the presence of sodium ethoxide and to synthesize 1-phenylethanol amine by reduction of isonitrosoacetophenone with LiAlH4 in diethyl ether. When the isonitrosoacetophenone reacted with 1-phenylethanol amine, (3E)-3-aza-5-(hydroxyimino)1,4-diphenylpent-3-en-1-ol monohydrate, a new oximino alcohol ligand and amido alcohol were obtained as associated product interestingly. Four complexes were prepared by treatment of oximino alcohol with metal salts such as Cu-II, Ni-II, Zn-II, and Co-II. Amido alcohol was characterized by single-crystal x-ray diffraction, and all complexes were characterized by using spectroscopic techniques and thermogravimetric analysis (TGA).Item Oksimlerin ve α-karbonil oksimlerin indirgenmesi ile amin ve α-amino alkollerin elde edilmesi, elde edilen bu aminler ile iki yeni iminooksim ligantlarının ve bazı metal komplekslerinin sentezlenmesi, yapılarının aydınlatılması(Uludağ Üniversitesi, 2009-08-11) Kaya, Yunus; İrez, Gazi; Uludağ Üniversitesi/Fen Bilimleri Enstitüsü/Kimya Anabilim Dalı.Bu çalışmada, iki yeni iminooksim ligantları olan, (2E)-3-aza-1-(hydroxyimino)-2,4-diphenylpent-2-ene ve (3E)-3-aza-5-(hydroxyimino)-1,4-diphenylpent-3-en1-ol, 1-feniletan amin ve 1-feniletanol amin ile izonitrozoasetofenonun etanol ortamında reaksiyonu sonucunda elde edilmiştir. Bu iki ligantın bazı geçiş metalleri ile kompleksleri sentezlenmiştir.Sentez aşamasında kullanılan aminler; 1-feniletan amin, asetofenon oksimin metalik sodyum ile etanol ortamında, 1-feniletanol amin ise, izonitrozoasetofenonun LiAlH4 ile dietil eter ortamında indirgenmesi sonucunda elde edilmiştir.Ligantların kimyasal yapıları X-ışınları tek kristal yapı analizi teknikleri, elemental analiz, 1H-NMR, 13C-NMR, IR ve kütle spektroskopisi ile, komplekslerin yapıları elementel analiz, 1H-NMR, 13C-NMR, IR, UV-Vis., atomik absorpsiyon spektroskopisi, manyetik moment ölçümleri, iletkenlik ölçümleri ve termogravimetrik analiz (TGA) teknikleri ile karakterize edilmiştir. Ligant ve komplekslerinin ayrıca fluoresans özellikleri incelenmiştir.Item Palladium(II) and platinum(II) complexes of a new imineoxime ligand - Structural, spectroscopic and DFT/time-dependent (TD) DFT studies(Elsevier, 2014-02-15) Büyükgüngör, Orhan; Kaya, Yunus; İçsel, Ceyda; Yılmaz, Veysel Turan; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Bölümü.; 0000-0002-2717-2430; 0000-0002-2849-3332; AAI-3342-2021; L-7238-2018; 35181446100; 55551960400; 7006269202A new imineoxime compound, (1E, 2E)-[(2-hydroxyethyl) imino]-2-phenyl-ethanal oxime (heipeoH) and its palladium(II) and platinum(II) complexes ([M(heipeo)(2)]) have been synthesized and characterized by elemental analysis, IR, NMR, UV-vis, mass spectra and X-ray diffraction. The geometry of heipeoH was optimized by both B3LYP with 6-311++G(d,p) and LANL2DZ basis sets, while the molecular structures of both complexes obtained from X-ray diffraction were compared with the optimized geometries using the B3LYP with the LANL2DZ basis set. In addition, the quantum chemical studies of title compounds have been carried out to correlate geometry and spectroscopic properties such as electronic, vibrational and NMR chemical shifts. The atomic charges of the title compounds were calculated by natural bond orbital (NBO) analysis.Item A palladium(II) complex containing both carbonyl and imine oxime ligands: Crystal structure, experimental and theoretical UV-vis, IR and NMR studies(Pergamon-Elsevier Science, 2013-05) Büyuk̈güngör, Orhan; Kaya, Yunus; İçsel, Ceyda; Yılmaz, Veysel Turan; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Anabilim Dalı.; 35181446100; 55551960400; 7006269202A new palladium(II) complex, [Pd(ppeieo)(inap)]center dot DMSO (ppeieo = (1E,2E)-phenyl-[(1-phenylethyl)imino]-ethanal oxime and imp = isonitrosoacetophenone) has been synthesized and characterized by elemental analysis, UV-vis, IR, NMR. X-ray diffraction analysis of the DMSO solvate of the complex shows that the palladium(II) ion is coordinated in a distorted square-planar geometry by ppeieo and map, which is formed during the hydrolysis of ppeieo. DFT (B3LYP/LANL2DZ) calculations on the complex have been carried out to correlate geometry and spectroscopic properties such as electronic, vibrational and NMR chemical shifts. The complete vibrational frequency assignments were made and the calculation results were applied to simulate infrared spectra of the title compound which shows good agreement with observed spectra. The calculated HOMO and LUMO energies show that several transitions including the pi -> pi* and charge transfer occur within the molecule. The chemical shifts reasonably correspond to the calculated spectra.Item Protonated water clusters in TPC's(Elsevier, 2016-07-11) Kaya, Yunus; Kalkan, Yalçın; Veenhof, Rob; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Kimya Bölümü.; Uludağ Üniversitesi/Fen-Edebiyat Fakültesi/Fizik Bölümü.; 0000-0001-8469-8132; 0000-0001-7407-1635; AAH-3852-2020; GXH-7079-2022; 35181446100; 56736206100; 6603742499Water vapour is added to the ALICE TPC gas to enhance its stability. These polar molecules create large protonated water clusters around a H+ core. In this context, the reactions H3O+ (H2O)(n-1) + H2O -> H-3 O+(H2O)(n) (n=1-9) were studied in the gas phase. Structures for these clusters are suggested and the most stable structures for each cluster size are shown. The thermodynamic parameters Delta H-n-1,n(0), Delta G(n-1,n)(0), Delta S-n-1,n(0) and equilibrium constants K-n-1,K-n for the reaction were calculated to determine the size of the water clusters. The results are close to experimental data found in the literature. Protonated water clusters at stp have a size of 6-9 which corresponds to a mass of 127.1-181.2 g/mole.