Sharif Digital Repository

In this work, Unity Bond Index-Quadratic Exponential Potential (UBI-QEP) method was applied to investigate the decomposition routs of -halo alcohols on Ni(111) and Cu(111) crystallographic planes and Ni2Cu1(111) and Ni1Cu2(111) alloys. UBI-QEP calculates energetics, H and E, along reactions routes using heats of atomic adsorption as empirical inputs and in this way avoids needs to be very specific about every system. The results of analysis of -halo-propanols on Ni and Cu surfaces are in good agreement with experimental findings; namely in the formation of carbon-monoxide, ethylene, water and hydrogen over Ni and propene and water over Cu. Predicted activity of -halo-propanols,... 

The enzyme L-asparaginase (L-asparagine amidohydroxylase , EC 3.5.1.1) is utilizable in the treatment of acute childhood lymphoblastic leukaemia. L-asparaginase catalyses the hydrolysis of the amino acid L- asparagines to L-aspartic acid and ammonia. Unlike normal cells,malignant cells which can only slowly synthesize L-asparagine , are killed by lacking exogenous supply. In contrast, normal cells are protected from Asn-starvation due to their ability to produce this amino acid.
In this study , L- asparaginase from E.coli, was immobilized onto a polymeric compound, poly(vinyl alcohol)(PVA) with cross-linking agent glutaraldehyde and calcium alginate beads .. Herein ,with the use of the... 

Aerobic oxidation plays important role in industrial processes and pollutant remediation. The catalysts accelerating oxidation reaction rate are included thermal (typical) catalysts such as Pt or Au on oxide supports and photocatalysts such as TiO2 or ZnO. Although well-studied Au/TiO2 system have been under deep
investigations but Au/ZnO system have less investigated because Au/ZnO has low activity relative to Au/ZnO. Gold nanoparticles supported on ZnO nanostructures were prepared through a simple chemical-thermal method and characterized by SEM, TEM, XRD, BET and photo luminescence (PL) spectroscopy. Effect of
annealing temperature on catalytic activity of these Au/ZnO... 

In this research, porous polyvinyl¬ alcohol (PVA)/Montmorillonite nanoclay and polyvinyl alcohol/polyvinyl pyrrolidone (PVP)/Montmorillonite nanoclay nanocomposite sponges (foams) were fabricated by freeze-drying method. The foams were crosslinked using gamma irradiation. The pore size and interconnectivity of nanocomposites characterized by scanning electron microscopy (SEM), showed bimodal pore size distribution resulting from preparation method.
SEM micrographs displayed that addition of PVP ( wt% of total solid polymer) to the PVA sponges increased the pore size and interconnectivity, due to the optimal number of hydrogen bonds between functional groups of polymeric matrices.... 

Electrospinning process has been widely used to produce nanofibers from polymer blends. Poly(vinyl alcohol) (PVA) and chitosan (CS) have numerous biomedical applications such as wound healing and tissue engineering. Nanofibers of CS/PVA have been prepared by many works, however, a complete physicochemical and mechanical characterization as well as cell behavior has not been reported. In this study, Non-toxic, biodegradable, and biocompatible chitosan/poly(vinyl alcohol)(PVA)/nano silica nanofibers were prepared by electrospinning. The properties of the nanofibers at various blend ratios were investigated by differential scanning calorimetry (DSC), Fourier transform infrared (FTIR)... 

In the past few decades, many attempts have been made to combine the benefits of homogeneous and heterogeneous catalysts. The immobilization of homogeneous catalysts onto the surface of heterogeneous supports is the result of such efforts. In this research, immobilized heterogeneous catalysts were designed and synthesized based on double network hydrogels, which produce from interpenetrating of two biocompatible and biodegradable polymer networks. In order to provide magnetic responsibility and easy separation of catalyst from the reaction mixture, the magnetic nanoparticles were dispersed onto the surface of double network hydrogel. Finally, various metal nanoparticles such as palladium and... 

The present work investigates a novel approach for improving the oxygen-barrier property of PLA-based film using vinyl acetate-vinyl alcohol copolymer [Poly(VAc-co-VA)] and the nanoclay Nanolin DK4. The permeability, thermal and mechanical properties are studied. To synthesize poly(VAc-co-VA), the hydrolysis of PVAc was done. The nanocomposite blend of PLA/Poly(VAc-co-VA)/Nanolin DK4 was prepared by the solution casting method. The prepared nanocomposite films were optically transparent regardless of poly(Vac-co-VA) and Nanolin DK4 concentrations. The gamma irradiated Poly(VAc-co-VA) was incorporated in the PLA films to probe the effect of cross-linked copolymer on the permeability of the... 

In the present study, a simple synthesis route was used to obtain Titanium dioxide nanoparticles with aggregates different in size. The purpose was to study the effect of TiO2 nanoparticles size on photocatalytic activity and develop it to sonocatalytic properties. Surface modification with polymeric and/or anionic agents were carried out to stabilize titania nanoparticles in aqueous media with neutral pH, specifically in SBF. Sonocatalytic properties of modified and bare particles were compared to show if the particles may be used in future studies on sonodynamic therapy. Results showed that increment in size of the aggregates, similar to primary particles, lead to lower properties due to... 

Sonodynamic therapy has been developed over the last century, now it has become more widely used as a medical tool for the treatment of various diseases such as cancer. This technique involves delivery of sonosensitizing drugs, irradiation of ultrasound waves and motivation of drugs. In this thesis surface modification process with polymer and biocompatible surfactant on TiO2 nanoparticles has been done due to stabilization of TiO2 nanoparticles in neutral pH which is similar to inside-body situation. In the last step, for cancer therapy, doxorubicin as a cancer drug was loaded on TiO2 which was surface modified by PVA. The results revealed the best ratio of (PVA: TiO2), (SDS: TiO2), (SDS:... 

In this thesis the graphene-based magnetic nanocatalyst was synthesized. The surface of this catalyst was cavered by silica and AgNPs. In addithion of simple sepration by magnetbar, yeild of reaction was promoted by surface modification. Catalyst structure was verified by transmission electron microscopy , scanning electron microscope, fourier transform infrared spectroscopy, X-ray diffraction and Energy dispersive spectroscopy.At the end catalytic activity was examined by oxidation reaction in persense of different alcohols. The oxidation of benzylic alcohol with electron withdrawing substituents was more difficult and the yield was lower, but electron donor substituents effect positively... 

In this work, synthesized Fe3O4 magnetic nanoparticles andcoated with SiO2 to prepare magnetic core-shell nanoparticles. Then immobilized Schiff baseof iron and vanadium complexes on magnetic core-shell nanoparticles was prepared as a recoverable magnetic nano catalysts. These catalysts were named Fe3O4@SiO2@L1@Fe, Fe3O4@SiO2@L2@Fe and Fe3O4@SiO2@L3@V. Furthermore,olefines epoxidation, sulfides and alcohols oxidation were studied with using iron and vanadium magnetic nano catalysts. The supported catalysts were characterized by atomic absorption, FT-IR and UV–Vis spectra.The catalytic performance of the synthesized iron catalyst was tested for the epoxidation of cyclohexene, styrene and... 

In nature, catalysis is of vital importance in a wide variety of biochemical processes catalyzed by metalloenzymes. The functions performed by the metalloenzymes and their significance have inspired a range of biomimetic studies, and intense efforts have been concentrated on the synthesis of low molecular weight complexes to model the spectroscopic features of such enzymes. Concomitantly, a challenging frontier in the field of biomimetic chemistry is the development of highly reactive model compounds that are able to effect rapid and selective substrate conversion. Some important catalytic transformations that have gained attention in recent years involve the carbon-carbon coupling, olefin... 

In recent years, application of transition metal biphasic catalytic systems for different reactions is an area of intense research activity. Among these reactions, oxidation of sulfides to sulfoxides and sulfones due to their importance as an intermediate in synthesis of organic compounds is a center of interest. Also, the catalytic conversion of alcohols to the corresponding aldehydes or ketones is a fundamental transformation in both laboratory and industrial synthetic chemistry. From environmental perspectives, the development of new catalytic oxidation systems with molecular oxygen as green oxidant is particularly attractive. In recent years, ionic liquids have been extensively studied... 

The purpose of this project is to correct the surface defects of the reverse osmosis membrane. The membrane tested in this project was a thin film made of three layers of polyester, polysulfone and polyamide. These three layers provide mechanical resistance to operating pressure, suitable substrate for polyamide layer synthesis and membrane selectivity, respectively.In order to improve the surface properties and modify the reverse osmosis membrane, it was first attempted to coat it with a protective layer of polyvinyl alcohol, then by modifying this layer and improving the properties of polyvinyl alcohol and synthesizing the sulfite agent on it by the esterification reaction, to the best... 

In this research, a novel nanofiltration membrane was used to separate nitrate from water as a nitrogen-containing compound. The membrane was fabricated by interfacial polymerization on the modified polysulfone substrate. To improve the efficiency of nitrate removal, several surface and bulk modifiers were used. As modified with LiCl and PVP polymer, the substrate matrix was modified to have the highest porosity to reduce the mass transfer resistance and the much surface area to form a polyamide layer on it. The polyamide layer was then synthesized by interfacial polymerization using a blend of MPD and PIP in different ratios (1: 1 optimum ratio) in reaction with TMC (optimum concentration... 

This study tries to introduce chemical coatings to reducing evaporation from Lake Urmia(LU). In LU, average annual evaporation is estimated at more than 1,000 mm, more than 80% of evaporation occurring in the warmer months of the year. Therefore, by reducing water evaporation, especially in the warmer months of the year, the most crucial factor in water outflow from LU can be reduced.At first, on the scale of class A evaporation pan in Tehran, three kinds of chemical coatings constituted stearic acid, jojoba oil, and fatty alcohols of style and stearyl to reduce evaporation from the LU is investigated. Then the best coating that includes combine of style and stearyl alcohols with stearic... 

In this thesis, a heterogeneous nanocatalyst based on graphene oxide was synthesized. To improve the graphene oxide, it was reacted with paraaminobenzoic acid and then metal salts (cobalt and manganese) were coated on it. The structure of the catalyst was confirmed by field emission scanning electron microscopy (FESEM), X-ray diffraction (XRD), quantitative X-ray diffraction (EDS) and infrared (FT-IR) spectroscopy. Finally, the catalytic properties of the catalysts were evaluated in the oxidation reaction of different alcohols in the presence of oxygen. In the presence of benzyl alcohols with lethal electron groups, the oxidation conditions are stricter and the reaction efficiency is lower.... 

Reducing water evaporation is one of the ways to overcome the low precipitation and drought conditions in water reservoirs. For this purpose, extensive studies have been investigated on physical and chemical coatings on lakes and reservoirs. Physical methods often involve the use of floating covers on the water surface to block evaporation by shading, most of which are only suitable for reservoirs with surface areas smaller than 5 hectares. In chemical methods, the evaporation can be decreased by nanomaterial coating, usually, containing long-chain molecules, which by spraying them on the surface, molecular monolayers are formed. In this study, the effect of nanometer coatings on the surface... 

In this research, polyvinyl alcohol/ sodium alginate/ nano silver nanocomposite films were fabricated by solution casting method via gamma irradiation. The purpose of using gamma radiation was reduction of silver nitrate and synthesis of silver nanoparticles. Formation of silver nanoparticles was proved by ultra violet- visible spectroscopy (UV-Vis) and x-ray diffraction (XRD) tests. Dynamic light scattering (DLS) and scanning electron microscopy (SEM) were used to study morphology, size and distribution of silver nanoparticles. Chemical structure, thermal behavior and mechanical properties of nanocomposites were characterized by fourier transform infrared spectroscopy (FTIR), differential... 

Polyvinyl alcohol and polyvinyl pyrrolidone polymers are among the biocompatible and widely used polymers that are very important in medical science and their composites are used in tissue engineering, bone engineering, etc. Various nanoparticles have been used to improve the properties of these composites. With this knowledge, in this study, to prepare a biocompatible nanocomposite for medical engineering and improve the piezoelectric, mechanical, and electrical properties of these two polymers, different percentages of these polymers were prepared with barium titanate nanoparticles and scanning electron microscopy using infrared spectroscopy tests. Mechanical properties tests,...