Sharif Digital Repository

In this study, copper oxide nano particles were synthesized by batchwise supercritical hydrothermal method. After preparation of CuO nano particles, they were immobilized into the porous matrix of sodium alginate. The drying process formed a very porous structure that is useful for enhancing of adsorption activity. Produced CuO particles were characterized by X-ray diffractometery (XRD), transmission electron microscopy (TEM), scanning electron microscopy (SEM), and BET for measuring the surface area. The prepared materials were then used as adsorbent in the removal of toxic metal ions in aqueous solution. To optimize the adsorption system, the effect of various parameters such as adsorbent... 

The geometries of the complexes of Be 2+, Mg 2+, and Ca 2+ metal cations with borazine ring were studied. The complexes were optimized at the B3LYP level and the 6-311++G(d,p) basis set. Then, the interaction energies corrected by basis set super position error were calculated in the same level. The results show that interaction energy is strongly dependent on the charge-to-size ratio of the cation. Therefore, Be 2+ cation has the most interaction energy value with respect to Mg 2+ and Ca 2+ metal cations. Natural bond orbital analysis was performed to calculate the charge transfer and natural population analysis of the complexes. Quantum theory of atoms in molecules was also applied to... 

Binding of Mg 2+, Ca 2+, Zn 2+, and Cu + metal ions with 2′-deoxythymidine (dT) nucleoside was studied using a density functional theory method and a 6-311++G(d,p) basis set. This work demonstrated that the interaction of dT with these cations is tri-coordinated · (O2, O4′, O5′). Among the four types of cations, Zn 2+ cation exhibited the most tendency to interact with the dT. Cations via their interaction with dT can affect the N-glycosidic bond length, the values of pseudorotation of the sugar ring, the orientation of the base unit with respect to the sugar ring, and the acidity of the O5′H, O3′H, and N3H groups in the dT nucleoside. Natural bond orbital analysis was performed to calculate... 

By a single-step supercritical hydrothermal synthesis method, yttrium oxide nanoparticles were successfully prepared without additional treatment. Yttrium oxide nanoparticles were employed as an adsorbent to study the adsorption of some heavy metal ions. This study revealed that nano structure yttrium oxide was an effective adsorbent for removal of lead ions from aqueous solutions  

The properties of metallic nanorods vary due to changes in their composition, size and shape, which all depend on the aspect ratio of the nanorods. This work focuses on the optimization of the aspect ratio of silver nanorods using response surface methodology (RSM). Seed-mediated approach, which is the newest method with less difficulty, has been used for the synthesis of silver nanorods. First, silver ions were reduced with sodium borohydride in the presence of sodium citrate dehydrate, as stabilizer. Then, the prepared seeds were added to a solution containing more metal salts, a weak reducing agent (ascorbic acid) and a rod-like micellar template (cetyltrimethylammonium bromide, CTAB).... 

Adaptation of Penicillium simplicissimum with different heavy metals present in a spent hydrocracking catalyst, as well as one-step, two-step, and spent medium bioleaching of the spent catalyst by the adapted fungus, was examined in batch cultures. Adaptation experiments with the single metal ions Ni, Mo, Fe, and W showed that the fungus could tolerate up to 1500. mg/L Ni, 8000. mg/L Mo, 3000. mg/L Fe, and 8000. mg/L W. In the presence of multi-metals, the fungus was able to tolerate up to 300. mg/L Ni, 200. mg/L Mo, 150. mg/L Fe and 2500. mg/L W. A total of 3% (w/v) spent catalyst generally gave the maximum extraction yields in the two-step bioleaching process (100% of W, 100% of Fe, 92.7%... 

The binding of Mg 2+, Ca 2+, Zn 2+ and Cu + metal cations to 2′-deoxyguanosine has been analyzed, using the hybrid B3LYP, Density Functional Theory (DFT) method and 6311++G(d,p) orbital basis sets. Coordination geometries, absolute metal ion affinities, and free energies for the most stable complexes formed by Mg 2+, Ca 2+, Zn 2+ and Cu + with the nucleoside, 2′-deoxyguanosine, have been determined. Furthermore, the influences of metal cationization on the strength of the N-glycosidic bond, torsion angles and angle of Pseudorotation (P) have been studied. With respect to the results, it has been found that metal binding significantly changes the values of the phase angle of Pseudorotation... 

The aim of this study was to investigate the thermal behavior of Mg-doped calcium phosphate compounds. Nanocrystalline HA and β-TCP mixtures containing different magnesium contents were synthesized via an alkoxide sol gel method. The ratio of (Ca+Mg)P was kept constant at 1.67, and the Mg content ranged between 0 and 3 mol%. The influence of magnesium on the phase composition, chemical structure, thermal behavior and morphological characteristics of nanopowders was analyzed using X-ray Diffraction (XRD), Fourier Transform Infrared Spectroscopy (FT-IR), Simultaneous Thermogravimetry and Differential Thermal Analysis (STA/DTA), Scanning Electron Microscopy (SEM) and Transmission Electron... 

In the current study, for the first time, photochemical facile green synthesis of salep capped silver nano-wedges was reported via the wet chemical synthesis procedure. Sunlight-UV as an available reducing agent caused mild reduction of silver ions to the silver nano-wedges. Salep as an effective capping/shaping polysaccharide bioresource material was used in the reaction medium and caused creation of flower-like self-assembled structures of the silver nano-wedges. The formation of silver nano-wedges and their flower-like self-assembled structures was confirmed by SEM technique. Further investigations were carried out using UV-vis, FTIR, GPC and XRD data. The prepared silver nano-wedges... 

Ce-doped ZnO nanocomposite thin films with Ce/Zn ratio fixed at optimum value (10 at.%) have been prepared via sol-gel method at different annealing temperatures varied from 180 to 500 °C. The synthesized samples were characterized employing atomic force microscopy (AFM), X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD) techniques. According to AFM analysis, the average grain size increased from about 70 nm to 150 nm by increasing the annealing temperature from 300 to 500 °C. Moreover, based on the XPS data analysis, it was found that three major metal ions namely Ce 3+, Ce4+, and Zn2+ coexist on the surface of the nanocomposite films. XPS data analysis also revealed that... 

In the current study, a facile green synthesis of silver-gelatin core-shell nanostructures (spherical, spherical/cubic hybrid, and cubic, DLS diameter: 4.1-6.9 nm) is reported via the wet chemical synthesis procedure. Sunlight-UV as an available reducing agent cause mild reduction of silver ions into the silver nanoparticles (Ag-NPs). Gelatin protein, as an effective capping/shaping agent, was used in the reaction to self-assemble silver nanostructures. The formation of silver nanostructures and their self-assembly pattern was confirmed by SEM, AFM, and TEM techniques. Further investigations were carried out using zeta-potential, UV-Vis, FTIR, GPC, and TGA/DTG/DTA data. The prepared Ag-NPs... 

Ce-doped ZnO and pure ZnO nanocomposite thin films with different Ce/Zn ratios (0, 2, 5, 10, 15, 20, and 30 at.%) have been prepared by sol-gel method at optimum annealing temperature of 500 °C. The synthesized samples were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS) and UV-vis spectrophotometry. According to our XPS data analysis, there are three major metal ions namely Ce3+, Ce4+ and Zn 2+ that coexist on the surface. The XRD measurements indicate that the ZnO thin films have a hexagonal wurtzite structure, and CeO2 crystallites formed in the Ce-doped ZnO nanocomposite thin films. Photoelectrochemical property of the samples was studied by three... 

This study was designed to compare one-step, two-step and spent medium bioleaching of spent catalyst by adapted Aspergillus niger in batch cultures. Aspergillus niger, which was adapted to heavy metal ions, Ni, Mo, Fe, and W, was grown in medium containing up to 5% (w/v) of spent catalyst. The main lixiviant in bioleaching was gluconic acid, which was produced at all pulp densities in the one-step bioleaching process. Gluconic acid was also produced in the two-step bioleaching process when the spent catalyst was present at pulp densities greater than 1% (w/v). In the spent medium leaching, however, the primary agent was citric acid. The pulp density of the spent catalyst was varied, and this... 

Single-walled carbon nanotubes (SWCNTs) and multiwalled carbon nanotubes (MWCNTs) were synthesized in aqueous solutions containing FeCl2, FeCl3, FeSO4 and Fe2(SO4) 3. The effects of iron charge and the counter ions on the formation of carbon nanotubes (CNTs) were investigated. Thermogravimetric (TG) analysis indicated that carbon multilayer structures including CNTs and multishell graphite particles were formed in deionized (DI) water without the iron precursor. SWCNTs were also synthesized in the presence of the iron ions. It was also found that the mole ratio of [Fe2+]/[Fe3+] in the solution has a significant influence on the purity of CNTs and the process yield. The highest yield was... 

Vertically aligned multi-wall carbon nanotube (CNT) arrays were fabricated in tip-growth mode on Ni/Si substrates using plasma enhanced chemical vapor deposition. In a purification process including hydrogenation and acid washing of the Ni/CNTs, the oxygen-containing functional groups were substantially reduced and a wide hollow core at the tip of the CNTs was formed by removing the Ni seeds. Sol-gel silver nanoparticles were deposited on the surface of the unpurified Ni/CNTs, while they could also be embedded within the hollow core of the Ni-removed CNTs. The persistency of the silver ions in the Ni-removed Ag-CNTs in comparison to the release of the silver ions from the Ag-Ni/CNTs in a... 

The acidity and stability constants of M-Met (M: M2+; Met 1: L-methionine) complexes, determined by potentiometric pH titrations, were used to make a comparative investigation with L-cysteine (Cys). It is shown that regarding to M ion - binding properties vital differences on complex bilding were considered. It is demonstrated, that in M-Met complexes, M ion is coordinated to the carboxyl group, M ion is also able to build macrochelate over amine group. The upmentioned results demonstrate that for M-Met complex the stability constants is also largly determined by the affinity of Cu2+ for amino group but in opposite to Met, some metal ions such as Co2+, Cu2+, and Zn2+ build with Cys 2... 

Over 60% of the world's discovered oil reserves are held in carbonate reservoirs, which are mostly naturally fractured. Conventional water flooding results in low oil recovery efficiency in these reservoirs as most of them are oil-wet. On account of negative capillary forces, injected brine cannot penetrate simply into an oil-wet matrix of fractured formations to force the oil out. Wettability alteration of the rock surface to preferentially more water-wet state has been extensively studied using both smart water and surfactants separately. This study aims to study the effects of Mg2+ as one of the most important wettability influencing ions on the wetting properties of oil-wet carbonate... 

In this study, a novel hybrid hydrogel based on chitosan, acrylic acid and amine-functionalized nanosilica was prepared and characterized by Fourier transform infrared spectroscopy, thermogravimetric analysis and scanning electron microscopy. This hydrogel nanocomposite was used for removal of Co2+, Cu2+, Pb2+ and Zn2+ ions from aqueous solution. The metal ion adsorption was measured by inductively coupled plasma mass spectrometry. The adsorption behavior showed that the presence of modified nanosilica enhanced the porosity of the hydrogel network and affected its adsorption capacity in response to different parameters such as nanosilica content, metal ion concentration, adsorbent content,... 

A heterogeneous polymeric catalyst was synthesized by immobilization of copper ions in a graphene oxide/poly(vinyl imidazole) nanocomposite. This catalyst has proven to be highly active in a practical protocol for click synthesis of 1,2,3-triazole via one-pot three-component cycloaddition of halides, terminal alkynes and sodium azide. The reaction was carried out in water medium and good to excellent yields of products were obtained using only 1.0 mol% of catalyst. The catalyst can be readily recovered and reused eight times under the described reaction conditions without significant loss of activity. The reaction also proceeded well with only 0.002 mol% of catalyst, which shows the high... 

In this study, aiming at hexavalent chromium removal from aqueous solutions, different strategies were proposed for developing hydrophilic and surface functional polysulfone (PSf) membrane. In addition to PSf membrane, three different types of membranes were prepared by addition of SiO2 nano-particles to the dope solution and/or by deposition of polydopamine (PDA) layer on the surface of the membranes. The membranes (i.e. PSf, PSf/PDA, PSf/SiO2 and PSf/SiO2/PDA) were characterized by different techniques. The membranes' transport properties and the separation performance were studied using a filtration unit operated at a continuous dead-end flow mode. The kinetics and the separation...