Sharif Digital Repository

Absorption and fluorescence spectra of three Sudan dyes (Sudan III, SudanIV and Sudan black B) were recorded in various solvents with different polarity in the range of 300-800 nm, at room temperature. The solvatochromic method was used to investigate dipole moments of these dyes in ground and excited states, in different media. The solvatochromic behavior of these substances and their solvent-solute interactions were analyzed via solvent polarity parameters. Obtained results express the effects of solvation on tautomerism and molecular configuration (geometry) of Sudan dyes in solvent media with different polarity. Furthermore, analyze of solvent-solute interactions and value of ground and... 

The effect of electrostatic interactions on vibrational frequencies and thermodynamic properties of CO adsorbate on the Ni(111) surface is calculated by taking the first and second nearest-neighbour interactions into account. In order to obtain reasonable results, the cluster model of various surface adsorption sites with CO adsorbate is partially optimized, using Density Functional Theory and also the MP2 method for the hcp site. Comparison between DFT and MP2 results shows that DFT results are more reliable for this system. The stretching and bending frequencies of CO adsorbate are calculated using both Partial Hessian Analysis and Cluster-Adsorbate Coupling methods. Stretching and bending... 

The effect of anharmonicity on the adsorption of CO molecules on the Ni(111) surface has been investigated. The DFT calculations are used to obtain the effective adsorption potential of the CO molecule on the Ni(111) surface. First, using an appropriate slab model, the geometry of adsorption system corresponding to hep, fcc, bridge, and on-top sites with p(2 × 2) arrangement and coverage of 0.25 ML is optimized by the DFT calculations using a plane wave basis set and ultrasoft pseudopotentials; this gives the hep site as the most stable site with De = 185 kJ/mol, for which the equilibrium distance of CO from the surface and C-O bond length on the surface are found to be 1.31 and 1.192 Å,... 

Nd:YAG laser treatment was used in order to increase surface cell adhesion aspects of polycarbonate (PC) films prepared via melt process. The treatment was carried out under different wavelengths and beam diameters. ATR-FTIR and UV spectra obtained from different samples before and after laser treatment in air showed that laser irradiation has induced some chemical and physical changes in surface properties. The irradiated films were also characterized using scanning electron microscopy (SEM) and contact angle measurements. Effect of pulse numbers on the surface properties was also investigated. Cell culture test was used to evaluate cell adhesion property on the PC films before and after... 

A new di-manganese complex with "back-to-back" 1,4-bis(2,2′:6,2′′-terpyridin-4′-yl) benzene ligation has been synthesized and characterised by a variety of techniques. The back-to-back ligation presents a novel new mononuclear manganese catalytic centre that functions as a heterogeneous catalysis for the evolution of oxygen in the presence of an exogenous oxidant. We discuss the synthesis and spectroscopic characterizations of this complex and propose a mechanism for oxygen evolution activity of the compound in the presence of oxone. The di-manganese complex also shows efficient and selective catalytic oxidation of sulfides in the presence of H2O2. Density functional theory calculations were... 

A new manganese complex of the formula [Mn(tptz)(OH 2) 3](CF 3SO 3) 2·EtOH, (1, where tptz = (2,4,6-tris(2-pyridyl)-1,3,5-triazine) is presented, exhibiting an excellent catalytic activity and selectivity in oxidation of various sulfides to the corresponding sulfoxides with UHP (urea hydrogen peroxide) as oxidant under air at room temperature. A modified preparation procedure produces another new manganese complex of the formula [Mn(tptz)(CH 3COO)(OH 2) 2](CF 3SO 3)·3H 2O (2). X-ray structures of both Mn(II) complexes, properties (elemental analysis, electrochemistry, EPR, IR, Raman, and UV-Vis spectra), as well as DFT studies results are reported  

Bacterial cellulose (BC) is an extracellular natural polymer produced by many microorganisms and its properties could be tailored via specific fabrication methods and culture conditions. There is a growing interest in BC derived materials due to the main features of BC such as porous fibrous structure, high crystallinity, impressive physico-mechanical properties, and high water content. However, pristine BC lacks some features, limiting its practical use in varied applications. Thus, fabrication of BC composites has been attempted to overcome these constraints. This review article overviews most recent advance in the development of BC composites and their potential in biomedicine including... 

The aim of this paper is the design and development of a novel user interface to interact with a meta system. Our focus is rather on interacting with Ambient Intelligence as a whole, which would for example enable users to influence the overall behaviors and attributes of dynamic device compositions. We call such interfaces Meta User Interfaces. The design details of a proposed user interface as well as a cognitive walkthrough evaluation are presented in this paper  

In this work, novel chitosan/bacterial cellulose (CS/BC) nanofibrous composites reinforced with graphene oxide (GO) nanosheets are introduced. As cell attachment and permeability of nanofibrous membranes highly depend on their fiber diameter, the working window for successful electrospinning to attain sound nanofibrous composites with a minimum fiber diameter was determined by using the response surface methodology. It is shown that the addition of GO nanosheets to CS/BC significantly reduces the average size of the polymeric fibers. Their mechanical properties are also influenced and can be tailored by the concentration of GO. Fourier transform infrared spectroscopy reveals hydrogen bonding... 

A series of reduced graphene oxide/ZnxCd1-xS (RGO/ZnxCd1-xS) nanocomposites (0 < x < 1) with different ratios of Zn/Cd were synthesized via a facile hydrothermal route under optimized experimental conditions and were carefully characterized by various techniques. Because very little is known about the morphology, specific surface area, and crystal phase effects of RGO/ZnxCd1-xS crystals on their photoresponsivity, field-emission scanning electron microscopy (FE-SEM), BET surface area analysis and X-ray diffraction (XRD) data were studied to investigate their effects on photoactivity. Based on the results, a crystal phase transition from a cubic phase in RGO/Zn0.9Cd0.1S to a hexagonal... 

Superhydrophobic surfaces demonstrate significant characteristics which make them suitable for a wide variety of applications. In this study, we propose a facile, one-step, and cost-effective anodizing scheme using aluminum nitrate/stearic acid mixture solution to create a superhydrophobic surface on an aluminum mesh. The surface outperforms the surface anodized by the widely used oxalic acid solution in terms of superhydrophobicity and water-surface friction behavior. The proposed surface reduced the friction by 11% on average respective to the surface prepared by oxalic acid. The durability of the introduced superhydrophobic surface has also been investigated. The proposed surface retained... 

This paper presents a dynamic programming methodology for finding the optimum preventive maintenance schedule of generating units of a GENCO in open power systems. The objective function for the GENCO is to sell electricity as much as possible, according to the market price forecast. Various constraints such as generation capacity, duration of maintenance and maintenance crew are taken into account. In a case study, introducing a GENCO with six generating units, and implementing dynamic programming, we obtain the optimal maintenance schedule over the planning period. © 2002 IEEE  

A dense membrane of La0.6Sr0.4Co0.8Fe0.2O3- δ (LSCF) perovskite was prepared by a new chelating agent, ethylene diamine N,N,N′,N′-tetra N-acetyl diamine (EDTNAD). As a potent ligand, EDTNAD provided a facile one-step method to form complexes of the four metal ions, simultaneously. The oxygen permeation flux through the pure perovskite LSCF dense membrane was measured over temperature range of 1073-1223 K, thickness of 0.7-1.0 mm and oxygen partial pressure of 0.1-1.0 bar. Oxidative coupling of methane (OCM) reaction using LSCF disk in the atmospheric membrane reactor and over the temperature range of 1073-1173 K showed a C2 selectivity of 100% and C2 yield of 5.01% at 1153 K. Furthermore,... 

Synchronization of fractional-order hyperchaotic complex systems is an interesting phenomenon since it has several applications in applied sciences. Based on the complexity of hyperchaotic dynamical systems and unpredictability of hidden attractors, which may exist in their phase spaces and could be beneficial in secure communications, a scheme to derive the analytical formula of the control functions is stated to study active control synchronization. Further comparison of this analytical formula with numerical experiments yields an interesting agreement. A novel fractional-order complex Sprott system is proposed to study this kind of synchronization and its dynamics. A secure communication...