Sharif Digital Repository

In the present study the effect of nanodiamond (ND) on the adsorption capacity of Drug has been investigated. Thermal oxidation nanodiamond (OND) was used as adsorbents for Methotrexate adsorption. The surface properties of NDs were studied by Fourier transform infrared spectroscopy and zeta potential. It was determined that thermal oxidation changed the surface properties of ND, including increase the amount of carboxylic acid groups and decreasing the zeta potential of ND by increasing the thermal oxidation time. The adsorption experiments showed that untreated ND (UND) has large adsorption capacity and fast adsorption kinetic for methotrexate (MTX). These results suggest that the... 

The reactions of different dithiocarbamate anions with epoxides were investigated in water. With this method, β-hydroxy dithiocarbamate derivatives were synthesized in high yields. The reaction was also carried out in DMF in the presence of lithium perchlorate with a simple work-up procedure, and the results are compared. © 2006 NRC  

Conductive polymers (CPs) are classified as materials which exhibit highly reversible redox behavior and the unusual combined properties of metal and plastics. CPs, due to their multifunctionality, ease of synthesis and their stability, have attracted more attentions in different fields of research, including sample preparation. CPs along with several commercial hydrophilic sorbents, are alternative to the commercially available hydrophobic sorbents which despite their high specific surface areas, have poor interactions and retentions in the extraction of polar compounds. This review covers a general overview regarding the recent progress and new applications of CPs toward their synthesis... 

N,N′,N″-triethylenethiophosphoramide (Thiotepa) and its oxo analogue (Tepa) as the major metabolite are trifunctional alkylating agents with a broad spectrum of antitumor activity. In vivo and vitro studies show alkylation of DNA by Thiotepa and Tepa can follow two pathways, but it remains unclear which pathway represents the precise mechanism of action. In pathway 1, these agents are capable of forming cross-links with DNA molecules via two different mechanisms. In the first mechanism, the ring opening reaction is initiated by protonating the aziridine, which then becomes the primary target of nucleophilic attack by the N7-Guanine. The second one is a direct nucleophilic ring opening of... 

Magnetic polyvinyl alcohol (M-PVA) films were prepared via solution casting filled with surface modified superparamagnetic nanoparticles (M-NPs). The M-NPs were coated with citric acid during synthesis. The chemical interaction between the citric acid and M-NPs was confirmed by Fourier transform infrared spectroscopy (FTIR). The average hydrodynamic diameter of M-NPs was 19.7 nm measured by dynamic light scattering DLS and appeared almost spherical in scanning electron microscopy (SEM). The M-NPs were uniformly dispersed in polyvinyl alcohol (PVA) matrix and showed high optical transparency with good mechanical properties. M-PVA hydrogels were synthesized using gamma irradiation. The... 

We used density functional theory (DFT) and Car-Parrinello molecular dynamics (CPMD) simulation to investigate the adsorption and bond formation of hydronium ion (H3O+) onto a (10 1 ¯ 4) calcite surface. For surface coverage of 25% to 100%, the nature of H3O+ interaction was explored through electron density and energetics in the context of bond critical points. The adsorbate–adsorbent structure was studied by simulation of pair correlation function. The results revealed that dissociation into water molecule(s) and proton(s) complements H3O+ ion(s) adsorbtion. The H2O molecule adsorbs onto the surface via its O atom, and interacts with surface calcium in a closed-shell mode; the H+ ion makes... 

A novel class of substituted quinazolines were prepared in good yields by a one-pot three-component reaction of isocyanides with adducts of anilines and tri- or dichloroacetonitrile, followed by intramolecular C-H activation, catalyzed by copper(I) iodide with l -proline as a ligand in acetonitrile at room temperature. © 2017 Georg Thieme Verlag Stuttgart .New York-Synlett  

In the present study, capability of nanodiamond (ND) for the adsorption of anionic (methyl orange, MO) and cationic (methylene blue, MB) dyes from aqueous solution was investigated. Employing fourier transform infrared (FTIR) spectroscopy, Boehm titration method and zeta potential, it was found that the simple thermal oxidation of ND at 425 °C, increased the content of carboxylic acid of ND and accordingly the zeta potential of ND decreased considerably. Therefore, a series of oxidized NDs (OND) at various oxidation times and as-received untreated ND (UND) was used as adsorbents of MO and MB. The adsorption experiments exhibited that UND had large adsorption capacity, very fast adsorption... 

In this work, for the first time, we presented a novel design strategy to fabricate a new type of Octa-aminopropyl polyhedral oligomeric silsesquioxane hydrochloride salt (OA-POSS)-based Alg/PAAm DN gels, consisting of PAAm gel as the first chemical network and Alg/OA-POSS gel as the second chemical-physical network. Incorporation of OA-POSS nanoparticles with various feed ratio into the second network not only led to form strong coordination interactions but also in comparison to the other Alg/PAAm gels demonstrated superior mechanical properties. pH, temperature, contact time and salt effects parameters were studied on the swelling and dye removal properties of the synthesized DN hybrid... 

Laminated polymer-steel composites are promising layered materials for practical applications in the automotive industry considering their superior crush resistance capacity in terms of enhanced damping potential. In this research, the sheet lamination (SL) route of friction stir additive manufacturing (FTAM) technology was implemented for the production of a poly-methyl-methacrylate (PMMA) polymer matrix composite structure as reinforced by textile stainless steel layers, and feeding of PMMA granulates inside the stirred region. Layers bonding and the soundness of composite formation during fabrication of the laminated structure were studied. Possible chemical interactions between the steel... 

Introduction: Nanotube-based drug delivery systems have received considerable attention because of their large internal volume to encapsulate the drug and the ability to penetrate tissues, cells, and bacteria. In this regard, understanding the interaction between the drug and the nanotube to evaluate the encapsulation behavior of the drug in the nanotube is of crucial importance. Methods: In this work, the encapsulation process of the cationic antimicrobial peptide named cRW3 in the biocompatible boron nitride nanotube (BNNT) was investigated under the Canonical ensemble (NVT) by molecular dynamics (MD) simulation. Results: The peptide was absorbed into the BNNT by van der Waals (vdW)... 

The biodegradability and mechanical properties of polysaccharides are dependent on their architecture (linear or branched) as well as their crystallinity (size of crystals and crystallinity percent). The amount of crystalline zones in the polysaccharide significantly governs their ultimate properties and applications (from packaging to biomedicine). Although synthesis, characterization, and properties of polysaccharides have been the subject of several review papers, the effects of crystallization kinetics and crystalline domains on the properties and application have not been comprehensively addressed. This review places focus on different aspects of crystallization of polysaccharides as... 

Poly(lactic acid) (PLA)/poly(vinyl acetate-. co-vinyl alcohol) [P(VAc-. co-VA)] blends as new transparent film packaging materials were prepared at various blend compositions and different vinyl alcohol contents. The blends and pure PLA were irradiated by gamma rays to investigate the extent of changes in the packaging material during gamma ray sterilization process. The miscibility of the blends was dependent on the blend composition and vinyl alcohol content; gamma irradiation had little effect on the extent of miscibility. The glass transition temperature of pure PLA and PLA/P(VAc-. co-VA) miscible blends reduced after irradiation. On the other hand in PLA/P(VAc-. co-VA) immiscible... 

Rheological behavior of agglomerated silver nanoparticles (~ 40 nm) suspended in diethylene glycol over a wide range of volumetric solids concentrations (φ{symbol} = 0.11-4.38%) was studied. The nanoparticle suspensions generally exhibited a yield pseudoplastic behavior. Bingham plastic, Herschel-Bulkley and Casson models were used to evaluate the shear stress-shear rate dependency. Analyzing the effect of silver concentrations on the yield stress and viscosity of the suspensions followed an exponential form, revealing an increase in the degree of interparticle interactions with increasing solid concentrations. Fractal dimension (Df) was estimated from the suspension yield stress and... 

In this work, a colorimetric sensor array has been designed for the identification and discrimination of thiometon (TM) and phosalone (PS) as organophosphate pesticides and prothioconazole (PC) as a triazole pesticide. For this purpose, two different plasmonic nanoparticles including unmodified gold nanoparticles (AuNPs) and unmodified silver nanoparticles (AgNPs) were used as sensing elements. The principle of the proposed strategy relied on the aggregation AuNPs and AgNPs through the cross-reactive interaction between the target pesticides and plasmonic nanoparticles. Therefore, these aggregation-induced UV–Vis spectra changes were utilized to discriminate the target pesticides with the... 

Commercial paints and coatings can serve as a protective barrier for metallic substrates in a corrosive environment. A considerable variety of nanostructures can be embedded in a polymeric coating to achieve both barrier and active protection. This research aims to elucidate the role of polyaniline (PANI) as an active polyelectrolyte modifier for the surface modification of mesoporous silica nanoparticles (MSNs) doped with zinc cations (Zn2+). To characterize the samples, we employed different techniques, including field-emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), N2 adsorption-desorption, Fourier transform infrared spectroscopy (FTIR), Raman... 

Superparamagnetic Iron Oxide Nanoparticles (SPIONs) were synthesized and coated with pseudopolyrotaxanes (PPRs) and proposed as a novel hybrid nanostructure for medical imaging and drug delivery. PPRs were prepared by addition of α-cyclodextrin rings to functionalized polyethylene glycol (PEG) chain with hydrophobic triazine end-groups. Non-covalent interactions between SPIONs and PPRs led to the assembly of SPIONs@PRs hybrid nanomaterials. Measurements of the 1H Nuclear Magnetic Resonance (NMR) relaxation times T1 and T2 allowed us to determine the NMR dispersion profiles. Comparison between our SPIONs@PRs hybrid nano-compound and the commercial SPION compound, Endorem®, showed a higher... 

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... 

Density functional theory (DFT) calculations were performed at the B3LYP level with a 6-311++G(d,p) basis set to systematically explore the geometrical multiplicity and binding strength for complexes formed by Li+, Na+, and K+ with cytidine and 2′-deoxycytidine. All computational studies indicate that the metal ion affinity (MIA) decreases from Li+ to Na+ and K+ for cytosine nucleosides. For example, for cytidine the affinity for the above metal ions are 79.5, 55.2, and 41.8 and for 2′-deoxycytidine, 82.8, 57.4, and 42.2 kcal/mol, respectively. It is also interesting to mention that linear correlations between calculated MIA values and the atomic numbers (Z) of the above metal ions were... 

The present work is comprised of two main parts. In part 1 the Co-Ni/γ-Al2O3 catalyst was prepared using a sol-gel procedure. Then the effect of calcination variables including the calcination temperature and time on the catalytic performance for production of light olefins was investigated and optimized. The obtained results have shown that the catalyst which was calcined at 550 °C for 6 h has revealed the better catalytic performance for production of light olefins. In part 2 the effect of process conditions including the reaction temperature, H2/CO feed ratio and total reaction pressure on the catalytic performance (CO conversion%, (C2-C4) selectivity% and C5+ selectivity%) was...