Sharif Digital Repository

We show that a metal-organic framework (MOF) sustained by a nanosized Ag12 cuboctahedral node can be applied to selectively extract traces of lead(II) ion from environmental water samples. The MOF was characterized by thermogravimetric and differential thermal analysis, scanning electron microscopy, FTIR, and X-ray diffraction. The effects of pH value, flow rates, of type, concentration and volume of the eluent, of break-through volume and potentially interfering ions on the separation and determination of lead were evaluated. Following desorption with EDTA, Pb(II) was quantified by FAAS. The use of the MOF results in excellent analytical figures of merit including an analytical range from 2... 

With the rapid progression of bionanorobotics, manipulation of nano-scale biosamples is becoming increasingly attractive for different biological purposes. Nevertheless, the interaction between a robotic probe and a biological sample is poorly understood and the conditions for appropriate handling is not well-known. Here, we use the molecular dynamics (MD) simulation method to investigate the manipulation process when a nanoprobe tries to move a biosample on a substrate. For this purpose, we have used Ubiquitin (UBQ) as the biomolecule, a single-walled carbon nanotube (SWCNT) as the manipulation probe, and a double-layered graphene sheets as the substrate. A series of simulations were... 

Background For decades, contrast agents have been used to reduce longitudinal (T1) or transverse (T2) relaxation times. High toxicity of gadolinium-based contrast agents leads researchers to new T1 contrast agents. Manganese oxide (MnO) nanoparticle (NP) with the lower peril and good enough signal change ability has been offered as a new possibility for magnetic resonance imaging (MRI). Methods The synthesized NPs were investigated for physicochemical and biological properties by X-ray diffraction, Fourier transform infrared spectroscopy, transmission electron microscope, dynamic light scattering (DLS), inductively coupled plasma, enzyme-linked immunosorbent assay, and 3 T magnetic resonance... 

In this article, a novel approach is presented for the concurrent coupling of continuum-atomistic model in the nano-mechanical behavior of atomic structures. The study is focused on the static concurrent multi-scale simulation, which is able to effectively capture the surface effects intrinsic in the molecular mechanics modeling. The Hamiltonian approach is applied to combine the continuum and molecular models with the same weight in the overlapping domain. A Lagrange-multiplier method is employed over the overlapping domain for coupling the continuum nodal displacement with the atomic lattice deformation. A multiple-step algorithm is developed to decouple the solution process in the atomic... 

Graphene oxide (GO) and reduced graphene oxide (rGO) sheets have usually been synthesized through Hummers' method by using highly pure graphite (HPG) as the main starting material. However, HPG can be relatively expensive for mass production of high-quality graphene. In this work, a general method for synthesis of high-quality GO and rGO sheets from various natural and industrial carbonaceous wastes such as vegetation wastes (wood, leaf, bagasse, and fruit wastes), animal wastes (bone and cow dung), a semi-industrial waste (newspaper), and an industrial waste (soot powders produced in exhaust of diesel vehicles) was developed. Based on atomic force microscopy, Raman spectroscopy, X-ray... 

In this work, two-membrane distillation (MD) modes, direct contact MD, and sweeping gas MD were investigated for synthesized and real (Persian Gulf) seawater desalination. A commercial PTFE membrane with 0.22 μm pore size was characterized (using atomic force microscopy and scanning electron microscopy) and was used for experiments. A multipurpose plate and frame MD module was used for desalination experiments. The effects of various operating conditions and MD module design, as well as feed type on the permeation flux have been studied. The feed temperature was found to be the most effective operating parameter. The flow rate in both sides of the MD module was found to be effective;... 

In this research, FINEMET alloy with composition of Fe73.5Si13.5B9Nb3Cu1 was produced by mechanical alloying from elemental powders. The effect of milling time on the magnetic and structural properties of alloy has been investigated using X-ray diffraction, scanning electron microscopy, transmission electron microscopy and vibrating sample magnetometery. The results showed that milling for 53 hr leads to the formation of Fe supersaturated solid solution which includes Si, B and Nb atoms with mean crystallite size of ~30 nm. The shift of the main peak of Fe to the higher angles indicated that Si and B atoms dissolve in the Fe solid solution, at primary stage of mechanical alloying, up to the... 

Electrochemical deposition, as a well-controlled synthesis procedure, has been used for subsequently layer-by-layer preparation of nickel hydroxide nanoparticle-reduced graphene oxide nanosheets (Ni(OH)2-RGO) on a graphene oxide (GO) film pre-cast on a glassy carbon electrode surface. The surface morphology and nature of the nano-hybrid film (Ni(OH)2-RGO) was thoroughly characterized by scanning electron and atomic force microscopy, spectroscopy and electrochemical techniques. The modified electrode appeared as an effective electro-catalytic model for analysis of rifampicin (RIF) by using linear sweep voltammetry (LSV). The prepared modified electrode exhibited a distinctly higher activity... 

An electromagnetically induced phase grating controlled by spontaneous generated coherence (SGC) in a fourlevel N-type atomic system is studied. The results indicate that the diffraction efficiency of the phase grating is dramatically enhanced due to the existence of SGC, and an efficient electromagnetically induced phase grating can be obtained. A novel result is considerable improvement of the intensity of higher-order diffractions via relative phase between applied laser fields. Furthermore, it is found that the frequency detuning of the switching and coupling fields with the corresponding atomic transition, incoherent pumping, and the interaction length can improve the efficiency of the... 

Anatase nanostructured coating has been prepared on 316 L stainless steel by sol-gel dip coating. The topography of the coatings surface has been analyzed using atomic force microscopy. The anticorrosion performance of the coatings has been evaluated using polarization curves. Effects of calcination temperature, withdrawal speed and times of coating on corrosion protection have been studied. The results showed calcination temperature of 400°C and withdrawal speed of 10 cm/min are desirable conditions to achieve high corrosion protection of 316 L stainless steel in chloride containing environments. Coatings with 3 times exhibit better resistance against corrosion in 0.5 molar NaCl solutions.... 

We show a methodology for how to construct Dirac points that occur at the corners of Brillouin zone as the Photonic counterparts of graphene. We use a triangular lattice with circular holes on a silicon substrate to create a Coupled Photonic Crystal Resonator Array (CPCRA) which its cavity resonators play the role of carbon atoms in graphene. At first we draw the band structure of our CPCRA using the tight-binding method. For this purpose we first designed a cavity which its resonant frequency is approximately at the middle of the first H-polarization band gap of the basis triangular lattice. Then we obtained dipole modes and magnetic field distribution of this cavity using the Finite... 

An efficient method for synthesis of 2-iminium-1,3-dithiolane as a new family of ionic liquids with reaction of dithiocarbamates with methyl triflouromethanesulfonate was described. Theoretical study on the synthesized ionic liquids was also performed by quantum chemistry calculation. Geometry optimization on the ion pairs was carried out with the B3LYP/6-311++G(d,p) level of theory. The interaction energies were calculated, and corrected by the basis set superposition error (BSSE) calculated by the counterpoise method. The results of natural bond orbital (NBO) and quantum theory of atoms in molecules (QTAIM) analyses indicate that the interactions occur via hydrogen bonding between oxygen... 

In this research, the effect of various surface treatments including laser processing, grit blasting and anodizing on chemical structure, surface topography, and bioactivity of Ti-6Al-4V was investigated. Six groups of samples were prepared by a combination of two alternative laser processes, grit blasting and anodizing. Selected samples were first evaluated using microanalysis techniques and contact roughness testing and were then exposed to in vitro environment. Scanning electron microscopy was used to characterize the corresponding final surface morphologies. Weight measurement and atomic absorption tests were employed for determination of bioactivity limits of different surface... 

Activated layered manganese oxides with deposited nano-sized gold or silver were synthesized and characterized by scanning electron microscopy, transmission electron microscopy, X-ray diffraction spectrometry, atomic absorption spectroscopy and energy-dispersive X-ray mapping. Here, we report that Au or Ag nanoparticles deposited on layered Mn oxides improve the catalytic activity of the Mn oxides toward the epoxidation of olefins in the presence of H2O2 and NaHCO3  

The low temperature perovskite-type calcium titanate (CaTiO3) thin films and powders with nanocrystalline and mesoporous structure were prepared by a straightforward particulate sol-gel route. The prepared sol had a narrow particle size distribution about 17 nm. X-ray diffraction and Fourier transform infrared spectroscopy revealed that, the synthesized powders had highly pure and crystallized CaTiO3 structure with preferable orientation growth along (1 2 1) direction at 400-800 °C. The activation energy of crystal growth was calculated 5.73 kJ/mol. Furthermore, transmission electron microscope images showed that the average crystallite size of the powders annealed at 400 °C was around 3.5... 

Fully supramolecular dendrosomes (FSD) as bi-phase drug delivery systems are reported in this work. For preparation of FSD, amphiphilic linear-dendritic supramolecular systems (ALDSS) have been synthesized by host-guest interactions between hyperbranched polyglycerol having β-cyclodextrin core and bi-chain polycaprolactone (BPCL) with a fluorescine focal point. Self-assembly of ALDSS in aqueous solutions led to FSD. They were able to encapsulate paclitaxel with a high loading capacity. The dendrosome-based drug delivery systems were highly sensitive to pH and temperature. They were stable at 20-37. °C and pH7-8, but dissociated and released drug at temperatures lower than 20. °C or higher... 

Mindlin's (1965) second strain gradient theory due to its competency in capturing the effects of edges, corners, and surfaces is of particular interest. Formulation in this framework, in addition to the usual Lamé constants, requires the knowledge of sixteen additional materials constants. To date, there are no successful experimental techniques for measuring these material parameters which reflect the discrete nature of matter. The present work gives an accurate remedy for the atomistic calculations of these parameters by utilizing the first principles density functional theory (DFT) for the calculations of the atomic force constants combined with an analytical formulation. It will be shown... 

Controlling topographic features at all length scales is of great importance for the interaction of cells with tissue regenerative materials. We utilized an indirect three-dimensional printing method to fabricate polymeric scaffolds with pre-defined and controlled external and internal architecture that had an interconnected structure with macro- (400-500 μm) and micro- (∼25 μm) porosity. Polycaprolactone (PCL) was used as model system to study the kinetics of tissue growth within porous scaffolds. The surface of the scaffolds was decorated with TiO2 and bioactive glass (BG) nanoparticles to the better match to nanoarchitecture of extracellular matrix (ECM). Micrometric BG particles were... 

Dirac electrons in clean graphene can mediate the interactions between two localized magnetic moments. The functional form of the RKKY interaction in pristine graphene is specified by two main features: (i) an atomic-scale oscillatory part determined by a wavevector → connecting the two valleys; with doping another longer range oscillation appears which arises from the existence of an extended Fermi surface characterized by a momentum scale kF; (ii) an algebraic Rα decay in large distances where the exponent α=-3 is a distinct feature of undoped Dirac sea in two dimensions. In this work, we investigate the effect of a few per cent vacancies on the above properties. Depending on the doping... 

In the present work a new strategy for straightforward fabrication of CdS/CdTe solar cells, containing CdS nanowires and nanoparticles as a window layer and CdTe nanoparticles and microparticles as an absorber layer, are reported. CdS and CdTe nanostructures were synthesized by solvothermal method. X-ray diffraction analysis revealed that highly pure and crystallized CdS nanowires and nanoparticles with hexagonal structure and CdTe nanoparticles with cubic structure were obtained. Atomic force microscope and field emission scanning electron microscope images showed that CdS nanowires with length of several μm and average diameter of 35 nm, CdS nanoparticles with average particle size of 32...