Sürdürülebilir Kalkınma Amaçları
Yazarlar
- Dertli, Enes(116)
- Şahin, Engin(48)
- Kaya, Yunus(46)
- Özen, Soner(46)
- İspirli, Hümeyra(45)
- Pat, Suat(44)
- Şenay, Volkan(42)
- Korkmaz, Şadan(36)
- Yilmaz, Mustafa Tahsin(33)
- Kutlu, Naciye(32)
- Cuce, Erdem(31)
- Öner, Erdal(31)
- Artar, Musa(30)
- Ertugrul, Mehmet(29)
- Hasar, Ugur Cem(29)
- Mercan, Emin(28)
- Bayraktar, Bülent(27)
- Bayram, Sinan(27)
- Can, Zehra(25)
- Ecem Bayram, Nesrin(25)
- Çolak, Murat(23)
- Özdemir, Akın(23)
- Cuce, Pinar Mert(22)
- Sert, Durmuş(22)
- Ayata, Ümit(21)
- Bayram, Ozkan(21)
- Dirican, Ebubekir(20)
- Abdioglu, Murat(19)
- Ayazoglu, Rabil(19)
- Birinci, Ahmet(19)
- Kamiloğlu, Aybike(19)
- Gerçek, Yusuf Can(18)
- Taylan, Osman(18)
- Tozlu, Alperen(18)
- Gul, Volkan(15)
- Hasar, Ugur C.(15)
- Kadakal, Mahir(15)
- Sagdic, Osman(15)
- Ergün, Mustafa(14)
- Kadakal, Huriye(14)
Yayınlar
- MakaleAçık Erişim2013Scopus SJRQ2Time-dependent effect of salicylic acid on alleviating cold damage in two barley cultivars differing in cold tolerance
Mutlu, Salih; Karadaǧoǧlu, Ömer; Atici, Ökkeş; Taşǧin, Esen; Nalbantoǧlu, Barbaros
The time-dependent effect of salicylic acid (SA) on alleviating cold damage in the Tokak (tolerant) and Akhisar (sensitive) varieties of barley (Hordeum vulgare) was investigated. Seedlings subjected to 0.0, 0.1, and 1 mM SA for 7 days were transferred to cold (7/5 °C) on days 7, 14, 21, and 28 for 3 days. It was found that 0.1 mM SA had a greater alleviating effect, decreasing the freezing injury in both varieties for at least 10 days after the application. Moreover, 0.1 mM SA had a greater effect on alleviation in Tokak by increasing the ice nucleation activity of apoplastic proteins extracted from the leaves. SA was effective for at least 24 days in decreasing the effect of freezing temperature by regulating apoplastic proteins in the leaves after the application. Furthermore, 0.1 and 1 mM SA had an alleviating effect by decreasing the lipid peroxidation level in both varieties for at least 24 days after the application. It can be seen that SA treatment can play a positive role in alleviating cold damage in barley. Therefore, it is suggested that results from SA treatments may contribute to research related to diminishing cold damage in agricultural applications.
AtıfScopus21WoS8OpenAlex23
İncele - MakaleAçık Erişim2013Scopus SJRQ2Biosorption properties of Morus alba L. for Cd (II) ions removal from aqueous solutions
Serencam, Huseyin; Ozdes, Duygu; Duran, Celal; Tufekci, Mehmet
The abundantly available industrial waste product Morus alba L. pomace (MAP) is one of the cost-effective biosorbent for removal of metal ions from aqueous solutions. Hence, in the present study, we aimed to test the ability of MAP to remove Cd(II) ions through batch biosorption process. Firstly, MAP was characterized using several techniques, and then the influence of various experimental parameters such as initial pH of the aqueous solution, initial Cd(II) concentration, contact time, MAP concentration, and temperature were evaluated upon the biosorption process. It was found that the maximum uptake of Cd(II) ions occurred at initial pH 6.0 and optimum contact time was observed as 60 min. Cd(II) ions adsorption on MAP analyzed by the Langmuir and Freundlich isotherm models and the maximum monolayer biosorption capacity of MAP was found to be 21.69 mg g-1 by using the Langmuir isotherm model. The pseudo-first-order, pseudo-second-order, Elovich, and intraparticle diffusion models were employed to describe the biosorption kinetics. In order to investigate the thermodynamic properties of the biosorption process, the changes in the Gibbs free energy (â̂†G), enthalpy (â̂†H), and entropy (â̂†S) were also evaluated and it has been concluded that the process was feasible, spontaneous, and endothermic in the temperature range of 5-40 C.
AtıfScopus38WoS36OpenAlex46
İncele - MakaleAçık Erişim2013Scopus SJRQ4Protective Role of Mentha longifolia L. ssp. longifolia against Aflatoxin B
Ceker, Selcuk; Agar, Guleray; Alpsoy, Lokman; Nardemir, Gokce; Kizil, Hamit Emre; Mete, Ebru
The aim of this study was to investigate the effects of essential oil of Mentha longifolia L. ssp. longifolia, used since ancient times for the treatment of many digestive tract diseases, on the genotoxicity and oxidative stress by a single dose of Aflatoxin B1 (5 μM) in the human lymphocyte culture. The total of the 12 identified components accounted for 97.69 % by Gas chromatography (GC). Major components of the oil were cis-piperitone epoxide (26.52 %), piperitenone oxide (26.40 %), pulegone (15.66 %) and piperitenone (13.57 %). According to the results obtained from GC-MS systems, monoterpenes consist of 89.19 % of the total oil approximately while sesquiterpenes were represented in small quantities in the oil. We studied the anti-genotoxic effects of essential oils of M. longifolia (MEO) by using sister chromatid exchange (SCE) and micronucleus (MN) test systems. Also, the anti-oxidative effects of MEO were evaluated by using superoxide dismutase (SOD), glutathione peroxidase (GPx) and malondialdehyde (MDA) assay. The SCE frequency and the number of MN were increased when treated with AFB1. Especially, MEO at 1.5 and 2.0 μl reduced SCE frequency and MN number in the human lymphocyte (p <0.05). In addition, AFB1 treatment significantly reduced the activity of SOD and GPx and elevated the level of MDA (p<0.05). MEOs treatment led to significant attenuation of AFB1-induced oxidative stress by normalization of the activities of SOD and GPx and the MDA (p < 0.05). These results suggest that MEOs could provide anti-oxidative and anti-genotoxic protection for the oxidative and genotoxic agents that cause many diseases including cancer and neurodegenerative disease.
AtıfScopus10WoS11OpenAlex11İncele - MakaleAçık Erişim2013Scopus SJRQ1Spontaneous Mutation Reveals Influence of Exopolysaccharide on Lactobacillus johnsonii Surface Characteristics
Horn, Nikki; Wegmann, Udo; Dertli, Enes; Mulholland, Francis; Collins, Samuel R. A.; Waldron, Keith W.; Bongaerts, Roy J.; Mayer, Melinda J.; Narbad, Arjan
As a competitive exclusion agent, Lactobacillus johnsonii FI9785 has been shown to prevent the colonization of selected pathogenic bacteria from the chicken gastrointestinal tract. During growth of the bacterium a rare but consistent emergence of an altered phenotype was noted, generating smooth colonies in contrast to the wild type rough form. A smooth colony variant was isolated and two-dimensional gel analysis of both strains revealed a protein spot with different migration properties in the two phenotypes. The spot in both gels was identified as a putative tyrosine kinase (EpsC), associated with a predicted exopolysaccharide gene cluster. Sequencing of the epsC gene from the smooth mutant revealed a single substitution (G to A) in the coding strand, resulting in the amino acid change D88N in the corresponding gene product. A native plasmid of L. johnsonii was engineered to produce a novel vector for constitutive expression and this was used to demonstrate that expression of the wild type epsC gene in the smooth mutant produced a reversion to the rough colony phenotype. Both the mutant and epsC complemented strains had increased levels of exopolysaccharides compared to the wild type strain, indicating that the rough phenotype is not solely associated with the quantity of exopolysaccharide. Another gene in the cluster, epsE, that encoded a putative undecaprenyl-phosphate galactosephosphotransferase, was deleted in order to investigate its role in exopolysaccharide biosynthesis. The ΔepsE strain exhibited a large increase in cell aggregation and a reduction in exopolysaccharide content, while plasmid complementation of epsE restored the wild type phenotype. Flow cytometry showed that the wild type and derivative strains exhibited clear differences in their adhesive ability to HT29 monolayers in tissue culture, demonstrating an impact of EPS on surface properties and bacteria-host interactions.
AtıfScopus71WoS66OpenAlex72İncele - MakaleYalnız künye2013Scopus SJRQ2Molecular structure, electronic properties, NLO, NBO analysis and spectroscopic characterization of Gabapentin with experimental (FT-IR and FT-Raman) techniques and quantum chemical calculations
Sinha, Leena; Karabacak, Mehmet; Narayan, V.; Cinar, Mehmet; Prasad, Onkar
Gabapentin (GP), structurally related to the neurotransmitter GABA (gamma-aminobutyric acid), mimics the activity of GABA and is also widely used in neurology for the treatment of peripheral neuropathic pain. It exists in zwitterionic form in solid state. The present communication deals with the quantum chemical calculations of energies, geometrical structure and vibrational wavenumbers of GP using density functional (DFT/B3LYP) method with 6-311++G(d,p) basis set. In view of the fact that amino acids exist as zwitterions as well as in the neutral form depending on the environment (solvent, pH, etc.), molecular properties of both the zwitterionic and neutral form of GP have been analyzed. The fundamental vibrational wavenumbers as well as their intensities were calculated and compared with experimental FT-IR and FT-Raman spectra. The fundamental assignments were done on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanical (SQM) method. The electric dipole moment, polarizability and the first hyperpolarizability values of the GP have been calculated at the same level of theory and basis set. The nonlinear optical (NLO) behavior of zwitterionic and neutral form has been compared. Stability of the molecule arising from hyper-conjugative interactions and charge delocalization has been analyzed using natural bond orbital analysis. Ultraviolet-visible (UV-Vis) spectrum of the title molecule has also been calculated using TD-DFT method. The thermodynamic properties of both the zwitterionic and neutral form of GP at different temperatures have been calculated.
AtıfScopus53WoS53OpenAlex58İncele - MakaleAçık Erişim2013Scopus SJRQ2Application of S-UTD-CH model into multiple diffraction scenarios
Tabakcioglu, Mehmet Baris; Cansiz, Ahmet
Propagation prediction models based on ray tracing in coverage estimation for digital broadcasting systems are compared. Geometrical Theory of Diffraction (GTD), Slope Uniform Theory of Diffraction (S-UTD), and Slope UTD with Convex Hull (S-UTD-CH) models are compared for computation time and propagation path loss. S-UTD-CH model is optimum model with respect to computation time and relative path loss.
AtıfScopus8WoS7OpenAlex11İncele - MakaleYalnız künye2013Scopus SJRQ2Experimental and theoretical FTiR and FT-Raman spectroscopic analysis of 1-pyrenecarboxylic acid
Karabacak, M.; Cinar, M.; Kurt, M.; Chinna Babu, P.; Sundaraganesan, N.
The title molecule 1-pyrenecarboxylic acid (1PCA) has been characterized by FTiR, FT-Raman, NMR and UV-Vis spectral analyses. The molecular geometry, harmonic vibrational modes, the corresponding wavenumbers and iR intensities of 1PCA were calculated by DFT method with 6-311G(d, p) basis set. The assignments of the fundamentals were proposed on the basis of total energy distribution (TED) calculations. The calculated 13C and 1H NMR chemical shifts using gauge including atomic orbitals (GiAOs) approach are in good agreement with the observed chemical shifts. The polarizability and first order hyperpolarizability of the title molecule were calculated and interpreted. Using TD-DFT method, the electronic transitions have been compared with the experimental wavelengths. The molecular electrostatic potential map was used for prediction of possible hydrogen and oxygen bonding sites 1PCA molecule.
AtıfScopus45WoS43OpenAlex46İncele - MakaleYalnız künye2013Scopus SJRQ1Determination of aroma profiles of olive oils from Turkish olive cultivars
Bayrak, Ali; Kıralan, Mustafa; Kara, Hasan Hüseyin
This study analyzed volatile aromatic compounds present in the oils of Turkish olive cultivars. The cultivars Gemlik, AyvalIk, Memecik, Domat, Uslu, HalhalI, Kilis yaǧlIk, Nizip yaǧlIk, Haşebi and Karamani were harvested from important Turkish olive-growing locations, such as BalIkesir, Bursa, Manisa, AydIn, Muǧla, İzmir, Kilis, Mersin, Hatay and Gaziantep during the 2007-2008 and 2008-2009 growing seasons. Olive samples were collected in two harvest years, at almost the same maturity stage, and processed under the same conditions. Headspace solid-phase microextraction (HS-SPME) was used to analyze volatile aroma compounds in the olive oil samples. Forty-seven compounds were characterized and quantified using gas chromatography-mass spectrometry/flame ionization detector (GC-MS/FID). The most abundant identified compounds were trans-2-hexenal, hexanal and 3-methyl-1-butanol. The trans-2-hexenal, hexanal and 3-methyl-1-butanol contents of oil samples varied between 0.86-67.15, 3.93-61.82 and 0.48-84.74 %, respectively.
AtıfScopus11WoS11OpenAlex11İncele - MakaleAçık Erişim2013Scopus SJRQ1Solutions of an anisotropic nonlocal problem involving variable exponent
Avci, Mustafa; Ayazoglu, Rabil A.; Cekic, Bilal
The present paper deals with an anisotropic Kirchhoff problem under homogeneous Dirichlet boundary conditions, set in a bounded smooth domain Ω of ℝN (N ≥ 3). The problem studied is a stationary version of the original Kirchhoff equation, involving the anisotropic p→(.)-Laplacian operator, in the framework of the variable exponent Lebesgue and Sobolev spaces. The question of the existence of weak solutions is treated. Applying the Mountain Pass Theorem of Ambrosetti and Rabinowitz, the existence of a nontrivial weak solution is obtained in the anisotropic variable exponent Sobolev space W01p→(.) (Ω), provided that the positive parameter λ that multiplies the nonlinearity f is small enough.
AtıfScopus13WoS14OpenAlex9İncele - MakaleYalnız künye2013Scopus SJRQ1An experimental exergetic comparison of four different heat pump systems working at same conditions: As air to air, air to water, water to water and water to air
Çakir, Uǧur; Çomakli, Kemal; Çomakli, Ömer; Karsli, Süleyman
In this study, we designed a multifunctional heat pump system using just one scroll compressor and which can be run in four different modes, namely air to air, air to water, water to water and water to air, in order to make an experimental energetic and exergetic performance comparison. Experimental system consists of two condensers and two evaporators and uses R22 as working fluid. One of the evaporators and condensers uses water and the others use air as heat source/sink. Heating capacities of four heat pump types are equal to each other. It is realized by adjusting the mass flow rate and temperature level of external fluid of condenser. Results show that the heat pump unit which has the maximum COP (coefficient of performance) value is water to air type with 3.94 and followed by water to water type with 3.73, air to air type with 3.54 and air to water type with 3.40. Ranking of four heat pump types with respect to their mean exergy efficiency is as follows; water to air type with 30.23%, air to air type with 30.22%, air to water type with 24.77% and water to water type with 24.01%. Exergy destruction rates of the systems were investigated in this study and the results revealed that the heat pump type which has the maximum exergy destruction is air to air type with 2.93kW. The second highest one is air to water type with 2.84kW. The third highest one is water to air type with 2.64kW and last one is water to water type with 2.55kW. It is understood that the temperature of the evaporator external fluid affects the exergetic efficiency of the system more than the mass flow rate. In contrast to the previous, the dominant parameter which has more important effect on the exergy destruction of the heat pump unit is the mass flow rate of evaporator external fluid.
AtıfScopus55WoS46İncele - MakaleYalnız künye2013Scopus SJRQ2Analysis of trusses by total potential optimization method coupled with harmony search
Toklu, Yusuf Cengiz; Bekdaş, Gebrail; Temur, Rasim
Current methods of analysis of trusses depend on matrix formulations based on equilibrium equations which are in fact derived from energy principles, and compatibility conditions. Recently it has been shown that the minimum energy principle, by itself, in its pure and unmodified form, can well be exploited to analyze structures when coupled with an optimization algorithm, specifically with a meta-heuristic algorithm. The resulting technique that can be called Total Potential Optimization using Meta-heuristic Algorithms (TPO/MA) has already been applied to analyses of linear and nonlinear plane trusses successfully as coupled with simulated annealing and local search algorithms. In this study the technique is applied to both 2-dimensional and 3-dimensional trusses emphasizing robustness, reliability and accuracy. The trials have shown that the technique is robust in two senses: all runs result in answers, and all answers are acceptable as to the reliability and accuracy within the prescribed limits. It has also been shown that Harmony Search presents itself as an appropriate algorithm for the purpose.
AtıfScopus33WoS26OpenAlex26İncele - MakaleYalnız künye2013Scopus SJRQ2Separation and pre-concentration of palladium(II) from environmental and industrial samples by formation of a derivative of 1,2,4-triazole complex on Amberlite XAD-2010 resin
Serencam, Huseyin; Bulut, Volkan Numan; Tufekci, Mehmet; Gundogdu, Ali; Duran, Celal; Hamza, Sibel; Soylak, Mustafa
A simple separation/pre-concentration method was developed for extraction of Pd(II) in various environmental samples, based on its adsorption of 4-phenyl-5-{[(4-phenyl-5-pyridin-4-yl-4H-1,2,4-triazole-3-yl)thio]methyl}-4H-1,2,4-triazole-3-thyol (PPTTMET) complex on Amberlite XAD-2010 resin in a mini column. The ligand has high affinity for Pd(II) among many other metals that are taken into consideration. The flame atomic absorption spectrometry is employed to determine the concentration of Pd(II). The optimum working conditions which were determined are as follows: 0.05 mol L-1 HNO3 as working medium, 1.0 mol L-1 HCI in acetone as elution solvent, 0.75 mg of PPTTMET amount and 750 mL of sample volume. The system was independent from the flow rates between 3.1 and 23.1 mL min-1. The Pd(II) adsorption capacity of Amberlite XAD-2010 resin was found to be 12.8 mg g-1 and the enrichment factor was calculated as 375. The method was successfully applied for the determination of Pd(II) in motorway dust samples, anodic sludge, gold ore, industrial electronic waste materials and various water samples.
AtıfScopus17WoS15OpenAlex17İncele - MakaleAçık Erişim2013Scopus SJRQ1Damages on reinforced concrete buildings due to consecutive earthquakes in Van
Ates, Sevket; Kahya, Volkan; Yurdakul, Muhammet; Adanur, Suleyman
Consecutive earthquakes occurred on October 23rd, 2011 in Ercis and on November 9th, 2011 in Edremit that are townships located 90. km and 18. km far from Van city in Turkey, respectively. A total of 28,000 buildings were damaged or collapsed in the city center and the surrounding villages after the Ercis earthquake. This number reached 35,000 after the Edremit earthquake. In the area where the earthquakes occurred, almost all the reinforced concrete buildings were affected.This study presents field observations of damages on reinforced concrete buildings due to the consecutive earthquakes that occurred in Van, Turkey. Damages appearing in the buildings may occur due to several reasons such as site effect, poor construction quality, poor concrete strength, poor detailing in beam-column joints, detailing of stronger beam than column, soft stories, weak stories, inadequate reinforcement, short lap splices, incorrect end hook angle, and short columns. Aftershocks also caused progressive damages on the buildings within 17 days after the earthquakes. According to the results of this study, most of the damaged buildings were not designed and constructed according to the Turkish earthquake code, the so-called Specification for Buildings to be built in Seismic Zones.
AtıfScopus84WoS74OpenAlex92İncele - MakaleYalnız künye2013Scopus SJRQ2Synthesis, conformational and spectroscopic characterization of monomeric styrene derivatives having pendant p-substituted benzylic ether groups
Cinar, Mehmet; Ozcan, Levent; Karabacak, Mehmet; Erol, Ibrahim
Three derivatives of styrene monomer, 4-chlorophenyl-4-vinylbenzyl ether (I), 4-methoxyphenyl-4-vinylbenzyl ether (II) and 4-ethylphenyl-4-vinylbenzyl ether (III) were synthesized. The synthesized two novel compounds (I and III) and one with undefined structural features were identified by experimental spectroscopic techniques and density functional approach. The optimized geometrical structure, vibrational and electronic transitions along with chemical shifts of those compounds were presented in this study. The vibrational spectra of investigated compounds were recorded in solid state with FT-IR spectrometry in the range of 4000-400 cm-1. The computational vibrational wavenumbers and also ground state equilibrium conformations were carried out by using density functional method with 6-311++G(d,p) basis set. Assignments of the fundamental vibrational modes were examined on the basis of the measured data and total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanical (SQM) method. Isotropic chemical shift of hydrogen and carbon nuclei were investigated via observed 1H and 13C NMR spectra in deuterated DMSO solution and predicted data applied with gauge-invariant atomic orbitals (GIAOs) method. The UV absorption spectra of monomers were observed in the range of 200-800 nm in ethanol, and time dependent DFT method was used to obtain the electronic properties. A detailed description of spectroscopic behaviors of compound was given based on the comparison of experimental measurements and theoretical computations.
AtıfScopus1WoS1OpenAlex1İncele - MakaleAçık Erişim2013Scopus SJRQ1Structure and biosynthesis of two exopolysaccharides produced by lactobacillus johnsonii FI9785
Dertli, Enes; Colquhoun, Ian J.; Gunning, A. Patrick; Bongaerts, Roy J.; Le Gall, Gwénaëlle; Bonev, Boyan B.; Mayer, Melinda J.; Narbad, Arjan
Exopolysaccharides were isolated and purified from Lactobacillus johnsonii FI9785, which has previously been shown to act as a competitive exclusion agent to control Clostridium perfringens in poultry. Structural analysis by NMR spectroscopy revealed that L. johnsonii FI9785 can produce two types of exopolysaccharide: EPS-1 is a branched dextran with the unusual feature that every backbone residue is substituted with a 2-linked glucose unit, and EPS-2 was shown to have a repeating unit with the following structure: -6)-α-Glcp-(1-3)-β-Glcp-(1-5)-β-Galf-(1-6)-α-Glcp-(1-4) -β-Gal p-(1-4)-β-Glcp-(1-. Sites on both polysaccharides were partially occupied by substituent groups: 1-phosphoglycerol and O-acetyl groups in EPS-1 and a single O-acetyl group in EPS-2. Analysis of a deletion mutant (δepsE) lacking the putative priming glycosyltransferase gene located within a predicted eps gene cluster revealed that the mutant could produce EPS-1 but not EPS-2, indicating that epsE is essential for the biosynthesis of EPS-2. Atomic force microscopy confirmed the localization of galactose residues on the exterior of wild type cells and their absence in the δepsE mutant. EPS2 was found to adopt a random coil structural conformation. Deletion of the entire 14-kb eps cluster resulted in an acapsular mutant phenotype that was not able to produce either EPS-2 or EPS-1. Alterations in the cell surface properties of the EPS-specific mutants were demonstrated by differences in binding of an anti-wild type L. johnsonii antibody. These findings provide insights into the biosynthesis and structures of novel exopolysaccharides produced by L. johnsonii FI9785, which are likely to play an important role in biofilm formation, protection against harsh environment of the gut, and colonization of the host.
AtıfScopus131WoS120OpenAlex134İncele - MakaleAçık Erişim2013Scopus SJRQ2Experimental research of dynamic instabilities in the presence of coiled wire inserts on two-phase flow
Omeroglu, Gokhan; Comakli, Omer; Karagoz, Sendogan; Sahin, Bayram
The aim of this study is to experimentally investigate the effect of the coiled wire insertions on dynamic instabilities and to compare the results with the smooth tube for forced convection boiling. The experiments were conducted in a circular tube, and water was used as the working fluid. Two different pitch ratios (H / D = 2.77 and 5.55) of coiled wire with circular cross-sections were utilised. The constant heat flux boundary condition was applied to the outer side of the test tube, and the constant exit restriction was used at the tube outlet. The mass flow rate changed from 110 to 20 g/s in order to obtain a detailed idea about the density wave and pressure drop oscillations, and the range of the inlet temperature was 15-35°C. The changes in pressure drop, inlet temperature, amplitude, and the period with mass flow rate are presented. For each configuration, it is seen that density wave and pressure drop oscillations occur at all inlet temperatures. Analyses show that the decrease in the mass flow rate and inlet temperature causes the amplitude and the period of the density wave and the pressure drop oscillations to decrease separately.
AtıfScopus2WoS1OpenAlex4İncele - MakaleYalnız künye2013Scopus SJRQ2Determination of conformational and spectroscopic features of ethyl trans-alfa-cyano-3-indole-acrylate compound: An experimental and quantum chemical study
Cinar, Mehmet; Karabacak, Mehmet
The optimized geometrical structure, vibrational and electronic transitions, chemical shifts and non-linear optical properties of ethyl trans-alfa-cyano-3-indole-acrylate (C14H12N 2O2) compound were presented in this study. The ground state geometrical structure and vibrational wavenumbers were carried out by using density functional (DFT/B3LYP) method with 6-311++G(d,p) as basis set. The vibrational spectra of title compound were recorded in solid state with FT-IR and FT-Raman in the range of 4000-400 cm-1 and 4000-10 cm -1, respectively. The fundamental assignments were done on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanical (SQM) method. The 1H, 13C and DEPT NMR spectra were recorded in DMSO solution, and gauge-invariant atomic orbitals (GIAO) method was used to predict the isotropic chemical shifts. The UV-Vis absorption spectra of the compound were recorded in the range of 200-800 nm in various solvents of different polarity (acetone, benzene, chlorobenzene, chloroform, DMSO, ethanol, methanol and toluene). Solvent effects were calculated using TD-DFT and CIS method. To investigate the non-linear optical properties, the polarizability, anisotropy of polarizability and molecular first hyperpolarizability were computed. A detailed description of spectroscopic behaviors of compound was given based on the comparison of experimental measurements and theoretical computations.
AtıfScopus12WoS11İncele - MakaleAçık Erişim2013Scopus SJRQ2An experimental and theoretical investigation of Acenaphthene-5-boronic acid: Conformational study, NBO and NLO analysis, molecular structure and FT-IR, FT-Raman, NMR and UV spectra
Karabacak, Mehmet; Sinha, Leena; Prasad, Onkar; Asiri, Abdullah M.; Cinar, Mehmet
The solid state Fourier transform infrared (FT-IR) and FT-Raman spectra of Acenaphthene-5-boronic acid (AN-5-BA), have been recorded in the range 4000-400 cm1 and 4000-10 cm 1, respectively. Density functional theory (DFT), with the B3LYP functional was used for the optimization of the ground state geometry and simulation of the infrared and Raman spectra of the molecule. The vibrational wave numbers and their assignments were examined theoretically using the Gaussian 09 set of quantum chemistry codes and the normal modes were assigned by a scaled quantum mechanical (SQM) force field approach. Hydrogen-bonded dimer of AN-5-BA, optimized by counterpoise correction, has also been studied by B3LYP at the 6-311++G(d,p) level and the effects of molecular association through O-H·O hydrogen bonding have been discussed. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecule were calculated by Gauge-Including Atomic Orbital (GIAO) method. Natural bond orbital (NBO) analysis has been applied to study stability of the molecule arising from charge delocalization. UV spectrum of the title compound was also recorded and the electronic properties, such as frontier orbitals, and band gap energies were measured by TD-DFT approach. The first order hyperpolarizability (β), its components and associated properties such as average polarizability and anisotropy of the polarizability (α and Δα) of AN-5-BA was calculated using the finite-field approach.
AtıfScopus38WoS36OpenAlex33İncele - BildiriYalnız künye2012Comparison and Analyzing Propagation Models
Tabakcioglu, Mehmet Baris; Ayberkin, Doruk; Cansiz, Ahmet
This paper presents a study on a class of algorithms based on Uniform Theory of Diffraction (UTD) for multiple diffractions. S-UTD-CH model can be used for fast and more accurate field prediction for multiple diffractions in transition zone. An extensive simulation results for comparison of UTD based algorithms with respect to the computation time and accuracy was provided.
AtıfWoS2İncele - BildiriYalnız künye2012USAGE OF BAYBURT STONE IN ROAD INFRASTRUCTURES AS A IMPROVEMENT MATERIAL
Kamiloglu, Hakan Alper; Yurdagül, Erman; Tekin, Ilker; Cokorilo, O
Subgrade is one of the most important factor which affects the operating time of highways. Subgrade of highways which are a part of freight transportation network exposes to more pressure. Therefore, stabilization of subgrades becomes more important for these highways. Usage of sustainable and eco friendly resources produce economic and effective solutions for stabilization of highways. BS can be a good example of the solution which are mined in Bayburt city, the north-east of Turkey. Bayburt Stone (BS) is Eocene age and consist of zeolite minerals. Because of containing high value of amorphous silica, tuffic Bayburt stones have pozzolanic activity. Therefore, the stones have binding characteristics when they mix in lime. In this study, It is intended to show that BS waste which obtained from the stone quarries during the stone processing, can be used as a stabilizing material in subbase layers of highways. Within the scope of the study lime and lime - BS mixtures were used to improve clayey subbase layers. In the experimental studies, different amount of 0.2-80 mu m diameter BS and lime mixtures were used and improvement results of lime, lime - BS mixtures were compared. The obtained stabilization materials were tested for clayey soils. In this context nonconfined compression test, shear box, XRD, XRF and Particle Sizer tests, standard compaction and soil classification tests (Liquid-Plastic Limit Test, Sieve Analysis, Hydrometer Analysis) were performed. As a result of study it was observe that the strength of samples which obtained from lime-BS increased remarkably and it's possible to make compaction with lower compaction energies.