Computer based simulations for the three-body recombination reaction of nitrogen (II) oxide with the hydroxyl radical have been used to estimate the error associated with the pseudo-first orderapproximation under different simulated conditions. For the absolute rate coefficients calculated by dividing the pseudo-first order constant by the concentration of the reactant in excess, the analysis of the relative error associated with working under pseudo-first order conditions shows that for a reactiants’ ratio higher than 10, the relative error is less than 5%.

[3+2]-Cycloaddition reactions of N-phthalimide substituted tricyclic imide were studied to synthesize their isoxazoline and bispiro derivatives in excellent yields. All new synthesized compounds have been characterized by their FTIR, 1H NMR, 13C NMR, GC/MS and LC/MS (HRMS) analyses.

Peripherally ß-naphthoxy unit substituted palladium(II) phthalocyanine was synthesized from corresponding phthalonitrile compounds. The palladium (II) phthalocyanine was characterized with ultraviolet–visible spectroscopy (UV-Vis), fourier transform- infrared spectroscopy (FT-IR), mass and elemental analyses techniques. Thin films of palladium (II) phthalocyanine were prepared using different organic solvents by spin coating technique. Transmittance and absorbance spectra of the thin films were studied in the wavelength range of 200–1000 nm. Optical band gaps of palladium (II) phthalocyanine thin films were also calculated.

There are quite many examples in the scientific literature regarding the acylation reactions, especially the metal-catalyzed acylation reactions, metal-free acylation reactions, metal-catalyzed acylation via cross-dehydrogenative coupling (CDC) reactions and metal-free acylation via cross-dehydrogenative coupling (CDC) reactions. In this review paper, the most important examples of these domains were brought together and their mechanisms were exhibited in a clear, chronological format. Following these, the best example study towards green chemistry with a metal-free and high-yielding route was mentioned and discussed to demonstrate what has achieved in this field regarding the new acylation reaction mechanisms using the advantages of cross-dehydrogenative coupling (CDC) reactions. The most prominent studies regarding these domains have been examined thoroughly and the latest progress in this field was explained in detail.

Many people tend to prefer natural foods and supplements nowadays. Considering this tendency, this study assessed the most significant in quality and purity parameters tocopherol and fatty acid compositions of cold-pressed oils, namely black cumin, sesame, sunflower, poppy, pomegranate, nettle, pumpkin, grape, safflower, flax, canola seed, wheat germ, peanut, hazelnut, and walnut. This study deals with the sample preparation and validation of tocopherols using an HPLC-FLD method for simultaneous determination of a-ß-?-, and d-tocopherols, and analysis of fatty acid methyl esters (FAME) with using GC-FID. The validated HPLC method was applied for the tocopherols’ analysis and measurement uncertainty was calculated for tocopherols and some fatty acids. The obtained data were evaluated by using principal component analysis to show the relationship between quality parameters and seed oils. Wheat germ, hazelnut, safflower, and sunflower oils have the highest tocopherol contents respectively with a predominance of a-tocopherol. Seed oils’ fatty acid compositions were classified according to proportions of oleic, linoleic, and other fatty acids. This study shows that the evaluated seeds are valuable sources of natural antioxidants and some specific and polyunsaturated fatty acids. The applied method can also be helpful for the industry to obtain quality analysis approach.

In this work, we report a parameterization procedure to compute the parameters of a hydrogel consisting of a hydrophilic polymer and a cross-linker. The system is parameterized so that coarse-grained dissipative particle dynamics (DPD) simulations can be performed. Proper computation of the simulation parameters is crucial in order to represent the inherent chemical nature of the hydrogel and to model the correct structure. The polymer is parameterized by considering different volumes for coarse-grained beads. Moreover, the hydrogen bond interactions should be represented and properly defined in the simulations. To that purpose, we use a recently introduced parameterization procedure that incorporates the attraction as a result of the hydrogen bond interactions between relevant beads. This paper serves as an example of how the realistic simulation parameters of a hydrophilic polymer can be straightforwardly computed by leading to a proper determination of the structure and properties. The computational background, the procedures and the results of the computation are reported and discussed in this paper.

Polyimides have a wide range of uses such as aerospace industry fuel cell applications, optic and electronic materials industry due to their outstanding thermal, mechanical and chemical properties. In this study, it was aimed to prepare composite polyimide films with amine tethered multi-walled-carbon nanotube (MWCNT). Firstly, to produce amine functional groups onto the surface of MWNCTs, MWCNTs were reacted with H2SO4/HNO3, thionyl chloride and ethylenediamine, respectively. Then polyamicacid solution was prepared from BTDA and ODA. The functionalized carbon nanotube was added to the PAA solutions with a certain amounts (1%, 3%, 4%, 5% and 6%wt.) and followed by stepwise thermal imidization. The thermal stability of the composite polyimide films were enhanced with addition of modified-carbon nanotube since covalent interaction between polyimide based matrix and modified-carbon nanotube happened by imidization reaction. In addition, the mechanical properties of the films were improved.

We have selectively separated cis- and/or vicinal-diol-containing flavonoids from Hypericum perfaratum (HP) by adsorption/desorption using aminophenylboronic acid (APBA) functionalized uniform (1.6 µm) silica microparticles (BASPs) synthesized via the Stöber method. Silica particles were alkylated by its terminal –OH with 3-aminopropyl trimethoxysilane (APTS), glutaraldehyde (GA) and APBA. The results from model adsorption studies indicated that these microparticles selectively adsorbed quercetin and rutin but partially apigenin. The antioxidant and antiradical activities of the desorption solution were slightly higher than that of the post-adsorption solution. These results indicated that the BASP selectively adsorbed the cis- and/or vicinal antioxidant and antiradical flavonoids.

Polycarbonates (PC) are used in automotive industry due to high physical and mechanical properties like high impact resistance and ductility. Polycarbonates are blended with ABS (Acrylonitrile-Butadiene-Styrene) and ASA (Acrylonitrile-Styrene-Acrylate) terpolymers for interior and exterior applications of automotive components to achieve good physical and mechanical properties. Other reason for choosing such alloys for interior applications is the IZOD impact resistance requirement higher than 40kJ/m2. Recently, grades of PC/ASA with UV stabilized are developed for non-painted exterior applications. The aim of our study is to investigate whether new developed PC/ASA could be chosen for exterior applications of automotive industry. In this study, the samples are prepared from injection molding and the weathering performance of PC/ASA was tested by a weather-o-meter for 1500h at a total of 1890 kJ/m2 at 340nm with a cut-off filter at ?<290nm. The results are evaluated by FT-IR, DSC, TGA and SEM. It has been observed that UV degradation of PC/ASA leads to several major changes in its IR spectrum like broad bands occurred in the hydroxyl region around 3300cm-1, and carbonyl stretching region increased around 1728 cm-1. The main degradations were based on photo-oxidation and photo-Fries rearrangement of PC. In our study, the photo-oxidation was followed by the color shift to yellowing of the polymer.

In this study, cesium adsorption performance of raw vermiculite obtained from Sivas-Yildizeli region of Turkey was investigated using batch adsorption method. In order to obtain the optimum adsorption conditons; different adsorbent dosages, contact times, solution pH’s, initial cesium concentrations and temperature ranges were investigated. Amount of cesium ions and percentage of cesium adsorbed by vermiculite in solution media were calculated using ICP-OES technique and noted as mg/g and %adsorbed Cs. Kinetic studies demonstrated that adsorption process was in accordance with second order pseudo kinetic model and equilibrium isotherm modeling studies showed that the process was compatible with Langmuir, Freundlich and Temkin adsorption isotherm models meaning the Cs adsorption process had both phsyical and chemical character. Negative Gibbs energy values obtained from thermodynamic studies revealed that the adsorption process was spontaneous and had a high feasibility. Additionally, negative enthalpy value indicated that process was exothermic, meaning the amount of Cs ions decresead with increasing reaction temperatures and positive entrophy value showed that disorderliness between solid-liquid phase increased during adsorption. Results clearly indicate that vermiculite mineral has a promising potential in removing Cs+ ions from aqueous media which leads mineral may also be used in decomposing and efficiently removing radioactive cesium from contaminated waters.

A well-defined polysulfone-based graft copolymers containing quaternary ammonioum salts are successfully prepared by photoiniferter method under mild conditions. The corresponding macroiniferter agent is sequentially synthesized by chloromethylation and nucleophilic substitution reaction between obtained chloromethylated polysulfone and sodium diethyl dithiocarbamate. Upon UV irradiation, this macroiniferter enables the successful grafting of 2-(dimethylamino)ethyl methacrylate onto the polysulfone backbone in a controlled manner. After the successful synthesis of graft copolymers, the tertiary amine groups in the side-chains are readily quaternized using methyl iodide to get desired quaternary ammonioum salts containing graft copolymers.

A range of iminophosphine (PN) ligands ((C6H5)2P-C6H4-CH=NR (R=-C6H3(2-CH3)(4-OH) (1a), -CH2CH2C6H4(4-OH) (1b) and -C5H3N(2-CH3) (1c)) have been synthesized starting from 4-amino-3-methylphenol, 4-(2-aminoethyl)phenol and 2-amino-3-methylpyridine with 2-(diphenylphosphino)benzaldehyde. The PN ligands were reacted with Pd(cod)Cl2 to give corresponding new PdLCl2 metal complexes, (2a, 2b and 2c). The Heck and Suzuki C-C coupling reactions were examined with catalysts 2a-2c and showed high conversions under the determined conditions with para substituted arylhalides

In this study, some new sulfanyl substituted amino 1,4-naphthoquinone derivatives which possess two electron donating groups in the amino fragment were synthesized and their structures were analyzed by spectroscopic techniques. First, 2-chloro-3-[(2,4-dimethoxy phenyl)amino]naphthalene-1,4-dione (3a) and 2-chloro-3-[(3,5-dimethoxy phenyl)amino]naphthalene-1,4-dione (3b) were obtained from the reactions of dichloro 1,4-naphthoquinone (1) with 2,4-dimethoxy phenyl amine and 3,5-dimethoxy phenyl amine. Then the compounds 3a,b were reacted with aliphatic nucleophiles; ethyl-, propyl- and pentyl mercaptan. S-Nucleophiles attacked to the carbon atom of 1,4-naphthoquinone core and displaced with the chlorine atom to create target molecules; 2-aryl amino-3-(ethyl thio)naphthalene-1,4-dione (5a,b), 2-aryl amino-3-(propyl thio)naphthalene-1,4-dione (5c,d), 2-aryl amino-3-(pentyl thio)naphthalene-1,4-dione (5e,f) derivatives. The structures of synthesized compounds were proved by utilizing 1D and 2D NMR techniques and also mass spectra and FTIR data.

In this study, azo dyes containing an imine group were synthesised by coupling p-hydroxybenzylidene aniline with the diazonium salts of p-toluidine, 4-aminophenol, aniline, p-chloroaniline, p-fluoroaniline and p-nitroaniline. The compounds were characterised by melting point, elemental, UV-Vis and IR analyses as well as 1H-NMR and 13C-NMR spectroscopies. Moreover, the experimental data were supplemented with density functional theory (DFT) calculations. The experimental data on FT-IR and UV–Vis spectra of the compounds were compared with theoretical results. The DFT calculations were performed to obtain the ground state geometries of the compounds using the B3LYP hybrid functional level with 6-311++g(2d,2p) basis set. Frontier molecular orbital energies, band gap energies and some chemical reactivity parameters, such as chemical hardness and electronegativity, were calculated and compared with experimental values. A significant correlation was observed between the dipole moment and polarities of the solvents and the absorption wavelength of the compounds.

Coriandrum sativum L.oil has antibacterial, antifungal and antimicrobial activity. This study aims to prepare and characterize chitosan nanoparticles loaded with Coriandrum sativum L., commonly known as coriander oil, using ionic gelation method and to determine their cytotoxicity in cell culture. Tripolyphosphate (TPP) was used as a cross-linker in ionic gelation method. The characterization of the chitosan nanoparticles loaded with coriander (Coriandrum sativum L.) oil was performed with Zeta-Sizer, Fourier transform Infrared spectrophotometer (FT-IR), scanning electron microscopy (SEM) and electron dispersive X-ray Spectroscopy (EDS). It was shown that chitosan nanoparticles loaded with coriander oil have an average size of 113.5 nm, zeta potential of 16 mV and a polydispersity index of 0.378. SEM analysis showed that they have spherical morphology and EDS showed the element composition. Furthermore, cytotoxicity analysis on L929 fibroblast cells was performed using XTT method and it was observed that chitosan particles loaded with coriander oil, coriander oil and empty chitosan nanoparticles did not provoke significant toxicity on cells.

In this study, macroporous a-alumina supports were prepared by using vacuum assisted filtration of a-Al2O3suspensions with different particle size. The average particle sizes of the powders are 400 and 200 nm. The prepared supports had smooth and uniform surface microstructure and well suited for the fabrication of thin continuous membrane. The microstructure consists of a random close packing of 200 nm particles led to improved surface uniformity and roughness. ZnO spheres were prepared by homogeneous precipitation and added to the colloidal suspension to modify the support structure and increase the support flux. Structural parameters such as pore diameter and tortuosity of the prepared macroporous supports were estimated by using He, N2, CO2 permeance measurements. Slight pressure dependence in the permeance values indicated the contribution of viscous flow to the Knudsen flow. The supports prepared by alumina powder with a larger particle size exhibited He permeance of three times higher than that of prepared with a smaller particle size. The addition of ZnO resulted in the increase in He permeance value significantly for the support prepared by 400 nm particles in size. He permeance was in a range of 8.5-8.7x10-6 mol/(m2sPa) which is very close to the desired value of 1x10-5 mol/(m2sPa).

Arum dioscoridis SM. var. dioscoridis (A. dioscoridis) which is a member of Arum L. genus and belonging to Araceae family was extensively analyzed in detail. DPPH free radical scavenging capacity of A. dioscoridis was obtained as 0.01091 mg gallic acid (GA) and 0.0929 mg Trolox (Tr) equivalent per mg of extract, respectively, based on DPPH free radical scavenging activity analysis. Chemical composition of A. dioscoridis was evaluated and 16 compounds were detected in the methanolic extract using GC-MS. Obtained compounds were assessed for their health benefits according to literature works. 20 elements were obtained in the mineral and trace element analysis by ICP-MS using microwave digestion procedure.

This study examined protein adsorption equilibrium and kinetics on activated carbon (AC) that we obtained from coal by single-step H3PO4 activation under N2+H2O vapor at 800 °C. Surface properties, pore size distribution, and volumes of AC were determined using volumetric method with N2 adsorption at 77 K. Also, the textural properties were characterized by SEM-EDAX and XRD. The zeta potential values were measured to elucidate the electrostatic interactions between the protein and AC. The obtained AC discrete system was also used as an adsorbent for adsorbing bovine serum albumin (BSA) from aqueous solution. The effects of pH (4.0, 5.0, and 7.4) and temperatures (20, 30 and 40 °C) on the adsorption of BSA on AC were examined. The surface area, micropore, mesopore and total pore volumes of AC were found to be 1175 m2/g, 0.477 cm3/g, 0.061 cm3/g and 0.538 cm3/g, respectively. The optimum temperature for AC in BSA adsorption was found to be 40 °C and the pH was found to be 4.0. The highest BSA adsorption was found to be 159 mg/g and pH to be 4.0. The experimental equilibrium data were compared with the Langmuir and Freundlich models and found to be compatible with both models. The adsorption process is best described by the pseudo-first-order kinetic model. As a result, it was found out that AC obtained by single step H3PO4/N2+H2O vapor activation is an effective adsorbent for the adsorption of BSA from aqueous solution.

In vitro adsorption of metamizole sodium by activated carbon was studied at pH 1.2 and 7.5 in order to simulate gastric and intestinal fluids. In the first 5 minutes, more than eighty percent of the total adsorption occurred but the adsorption process achieved to the equilibrium in 1 hour. Time to reach equilibrium was not changed with the changing pH, concentration of the adsorbate or the adsorbent amount. The equilibrium data followed the Langmuir model and therefore fitted to L-type in accordance with the Giles classification for adsorption isotherms. The maximum removal capacities of the activated carbon for metamizole sodium were calculated using Langmuir equation and found as 185.19 mg/g and 161.29 mg/g at pH 1.2 and 7.5, respectively.

In this work, an efficient, easy, and green process has been developed for the synthesis of 2,3-dihydroquinazolin-4(1H)-one from a condensation reaction of anthranylamide with various aromatic aldehyde using of phosphate fertilizers, mono-ammonium phosphate (MAP), di-ammonium phosphate (DAP) and triple super phosphate (TSP) as heterogeneous catalysts. The reaction conditions were optimized taking into account of some parameters which control the reaction, namely the nature and the volume of the solvent and the mass of catalyst. The results show that the catalysts used herein are very interesting because they present a good catalytic activity and they are reusable for at least five cycles without any degradation of their activity.

This work reports on the synthesis and characterization of gallium (III) phthalocyanines (4-6) which is non-peripherally tetra-substituted with anisole or thioanisole functional groups containing oxygen or sulfur bridge. Confirmation of the phthalocyanine structures performed with a combination of elemental analysis, FTIR, 1H-NMR, UV-vis and MALDI-MS spectral data. Also, investigated and discussed the effects of non-peripherally tetra-substitution with different functional groups on the photochemical (Singlet oxygen quantum yields and photodegradation quantum yields) and photophysical properties (Fluorescence quantum yields and flouresans behavior). In every substituent, we obtained very similar singlet oxygen quantum yields as 0.64 for (4), 0.56 for (5) and 0.65 for (6) suggesting its potential as photosensitizer in PDT treatment.

Zinc oxide nanoparticles (ZnONPs), multiwalled carbon nanotubes (MWCNTs) and 1,4-benzoquinone (BQ) dispersed in chitosan (CS) matrix were used to construct a xanthine biosensor. Xanthine oxidase (XOx) was immobilized onto BQ-MWCNTs-ZnO–CS composite modified glassy carbon electrode (GCE) using glutaraldehyde as the crosslinking agent. The parameters of the construction process and the experimental variables for the biosensor were optimized. The xanthine biosensor showed optimum response within 10 s, and the sensitivity was 39.4 µA/mMcm2 at +0.25 V (vs. Ag/AgCl). The linear working range of the biosensor was found to be 9.0×10-7-1.1×10-4 M with a detection limit of 2.1×10-7 M. The biosensor exhibited good long-term stability and reproducibility. The presented biosensor was also used for monitoring the freshnesses of chicken and beef flesh.