Sharif Digital Repository

Functionalized magnetic core–zeolitic shell nanocomposites were prepared via hydrothermal and precipitation methods. The products were characterized by vibrating sample magnetometer, X-ray powder diffraction, Fourier transform infrared spectroscopy, nitrogen adsorption–desorption isotherms, and transmission electron microscopy analysis. The growth of mordenite nanocrystals on the outer surface of silica-coated magnetic nanoparticles at the presence of organic templates was well approved. The removal performance and the selectivity of mixed metal ions (Pb2+ and Cd2+) in aqueous solution were investigated via the sorption process. The batch method was employed to study the sorption kinetic,... 

A highly sensitive and selective colorimetric method for detection of copper ions, based on anti-aggregation of D-penicillamine (D-PC) induced aggregated gold nanoparticles (AuNPs) was developed. Copper ions can hinder the aggregation of AuNPs induced by D-PC, through formation of mixed-valence complex with D-PC that is a selective copper chelator. In the presence of a fixed amount of D-PC, the aggregation of AuNPs decreases with increasing concentrations of Cu2+ along with a color change from blue to red in AuNPs solution and an increase in the absorption ratio (A520/A 650). Under the optimum experimental conditions (pH 7, [AuNPs] =3.0 nmol L-1 and [NaCl]=25 mmol L-1), a linear calibration... 

A comparative investigation has been developed for the stability constants of several amino acid complexes with divalent metal ions, which have been determined by potentiometric pH titration. Depending on the metal ion-binding properties, vital differences in the building complexes were observed. The present study indicates that in some M(L) complexes, metal ions are arranged in carboxyl groups, but in other M(L)complexes, some metal ions are able to build chelate over amine groups. The results mentioned-above demonstrate that for some M(L) complexes, the stability constants are also largely determined by the affinity of metal ions for amine group. This leads to a kind of selectivity of... 

The acidity and stability constants of M (MNPPAP) (MNPPAP: 2((4-methyl-5-nitro-6-(pyrrolidine-l-yl)pyrimidine-2-yl)amino)propionic acid) M: Cu2+, Cu (Bpy)2+ (Bpy: 2,2'-Bipyridine), or Cu(Phen) (Phen: 1,10-Phenanthroline) complexes were determined by potentiometric pH titration. It is shown that the stability of the binary Cu (MNPPAP) complex is determined by the basicity of the carboxylate group on one side and amine group on the other side. It is demonstrated that the equilibrium, Cu(Har)2+ (H ar: Heteroaromatic ligand such as Bpy or Phen) + Cu(MNPPAP) ^ Cu(Har)(MNPPAP) + Cu2+, is displacement due to the well known experience that mixed ligand complexes formed by a divalent 3d ion, a... 

This work describes the preparation of magnetic and pH-sensitive beads based on κ-carrageenan and sodium alginate for use as drug-targeting carriers. Physical cross-linking using K+/Ca2+ ions was applied to obtain ionic cross-linked magnetic hydrogel beads. The produced magnetite beads were thoroughly characterized by TEM, SEM/EDS, XRD, FTIR, and VSM techniques. While the water absorbency (WA) of magnetic beads was enhanced by increasing the weight ratio of κ-carrageenan, introducing magnetic nanoparticles caused a decrease in WA capacity from 15.4 to 6.3 g/g. Investigation on the swelling of the hydrogel beads in NaCl, KCl, and CaCl2 solutions revealed the disintegration of beads depending... 

In the current study, γ-Fe2O3/SiO 2/PCA/Ag-NPs hybrid nanomaterials were successfully synthesized and characterized. At first, prepared γ-Fe2O3 core nanoparticles were modified by SiO2 layer. Then they were covered by poly citric acid (PCA) via melting esterification method as well. PCA shell acts as an effective linker, and provides vacancies for conveying drugs. Moreover, this shell as an effective capping agent directs synthesis of silver nanoparticles (Ag-NPs) via in situ photo-reduction of silver ions by sunlight-UV irradiation. This system has several benefits as a suitable cancer therapy nanomaterial. Magnetic nanoparticles (MNPs) can guide Ag-NPs and drugs to cancer cells and then... 

A multicomponent polysaccharide obtained from dried tubers of certain natural terrestrial orchids was chemically modified by sulfonation using chlorosulfonic acid-dimethylformamide (HClSO3-DMF) complex as a reagent. For a structural characterization of salep sulfate 1H nuclear magnetic resonance (NMR), Fourier transform infrared (FTIR) spectra, and Thermogravimetric analysis (TGA) curves were recorded. The sulfate content of modified salep was determined using elemental analysis. This modified biopolymer was used to prepare a new environment-friendly heavy metal ion adsorbent, salep sulfate-graft-polyacrylic acid hydrogel (SS-g-PAA). Swelling rate and equilibrium water absorbency in various... 

The nature of alumazine⋯M (M = Li+, Na+, K+, Be2+, Mg2+, AND Ca2+) interactions was studied by ab initio calculations. The interaction energies were calculated at MP2/6-311++G(d,p)//B3LYP/6-311++G(d,p) level. The calculations suggest that the size and charge of cation are two important factors that affect the interaction energy, charge transfer values and the variation in aromaticity of alumazine ring upon complexation. The theory of atoms in molecules (AIM) and natural bond orbital (NBO) analyses of complexes indicate that the variation of densities and the extent of charge shifts upon complexation correlate well with the obtained interaction energies. Finally, nucleus independent chemical... 

Functionalized magnetic core-zeolitic shell nanocomposites were prepared via hydrothermal and precipitation methods. The products were characterized by vibrating sample magnetometer, X-ray powder diffraction, Fourier transform infrared spectroscopy, nitrogen adsorption-desorption isotherms, and transmission electron microscopy analysis. The growth of mordenite nanocrystals on the outer surface of silica-coated magnetic nanoparticles at the presence of organic templates was well approved. The removal performance and the selectivity of mixed metal ions (Pb2+ and Cd2+) in aqueous solution were investigated via the sorption process. The batch method was employed to study the sorption kinetic,... 

In the present work a central composite design based on response surface methodology (RSM) is employed for fine tuning of the aspect ratios of seed-mediated synthesized gold nanorods (GNRs). The relations between the affecting parameters, including ratio of l-ascorbic acid to Au3+ ions, concentrations of silver nitrate, CTAB, and CTAB-capped gold seeds, were explored using a RSM model. It is observed that the effect of each parameter on the aspect ratio of developing nanorods highly depends on the value of the other parameters. The concentrations of silver ions, ascorbic acid and seeds are found to have a high contribution in controlling the aspect ratios of NRs. The optimized parameters led... 

Molybdenum resources around the world are mainly associated with porphyry copper ores. Molybdenite (MoS2) is the main Mo mineral that has rhenium in its crystal lattice. This paper investigates the recovery of rhenium and molybdenum from a molybdenite concentrate using a hydrometallurgical treatment method. The molybdenite concentrate is leached with nitric acid and subjected to solvent extraction to recover and separate rhenium and molybdenum from the leached liquor. The effects of pH and the chemicals' concentration on extraction characteristics of Mo and Re are investigated to define the best condition for selective extraction of these metals. The tested leached liquor contained of 8.2... 

Gas-phase acidities of nucleosides, combined with the knowledge of deprotonation sites, could improve our understanding of chemical reactions to biological systems. In this paper, we mainly focus our attention on the influence of cation coordination on acidities of multiple sites in cytosine nucleosides. The acidities of multiple sites in M +-L (where L represents cytosine nucleosides and M + is an alkali metal ion, including Li +, Na + and K +) complexes have been investigated theoretically, employing B3LY P6-311++G(d,p) basis sets. The geometrical characters, gas-phase acidities, sugar puckering and electronic properties of non-deprotonated and/or deprotonated complexes have been... 

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...