Sharif Digital Repository

This study describes an efficient method for ortho-selective halogenation of N-arylcarbamates under mild conditions for the first time. Although being weakly coordinating, N-arylcarbamates act very well as a removable directing group for activation of C-H bonds. The developed procedure results in extremely valuable halogenated N-arylcarbmates that can further be hydrolyzed to halogenated anilines. The obtained reaction conditions showed broad scope and wide functional group tolerance. All the products were formed in good yields with extremely high selectivity  

A telescoped approach was developed for the efficient synthesis of methoxybenzene through the generation of an unstable intermediate reagent, based on the Br-Li exchange reaction of p-bromoanisole and n-BuLi, followed by its reaction with water. In the first stage, p-methoxyphenyllithium was synthesized and consumed immediately in the second stage. For this purpose, an integrated glass microfluidic device was fabricated using laser ablation followed by the thermal fusion bonding method. The impact of various parameters, including solvent, reaction time, molar ratio, concentration of reagents, and flow rates were investigated to achieve the highest yield of the desired product, leading to an... 

All current highest efficiency perovskite solar cells (PSCs) use highly toxic, halogenated solvents, such as chlorobenzene (CB) or toluene (TLN), in an antisolvent step or as solvent for the hole transporter material (HTM). A more environmentally friendly antisolvent is highly desirable for decreasing chronic health risk. Here, the efficacy of anisole (ANS), as a greener antisolvent for highest efficiency PSCs, is investigated. The fabrication inside and outside of the glovebox showing high power conversion efficiencies of 19.9% and 15.5%, respectively. Importantly, a fully nonhalogenated solvent system is demonstrated where ANS is used as both the antisolvent and the solvent for the HTM.... 

We present the first density functional theory study on α-ketoglutarate dependent halogenase and focus on the mechanism starting from the iron(IV)-oxo species. The studies show that the high-valent iron(IV)-oxo species reacts with substrates via an initial and rate determining hydrogen abstraction that is characterized by a large kinetic isotope effect (KIE) of 26.7 leading to a radical intermediate. This KIE value is in good agreement with experimental data. The reaction proceeds via two-state reactivity patterns on competing quintet and septet spin state surfaces with close lying hydrogen abstraction barriers. However the septet spin radical intermediate gives very high barriers for... 

We fabricated a high rate capability supercapacitor based on fluorine-doped graphene-carbon nanotubes aerogel network (G-CNT-F). Based on the electrochemical impedance spectroscopy data, the fluorination decreases the charge transfer resistance of graphene sheets, while CNTs act as spacer in the 3D structure. Therefore, both treatments improved the electrochemical properties of the resulted aerogel. Based on the Fourier transform infrared spectroscopy and XPS results, these excellent performances are attributed to semi-ionic bonds between fluorine and carbon. The specific capacitance of the graphene aerogel showed 78% decrease, when discharge current increases from 2 to 40 mA, while the... 

Ammonium polyphosphate (APP) is one of the most widely used halogen-free flame retardant, added in various resins to improve the fire properties, such as flame and smoke spread ratings and LOI, of fiber-reinforced polymer (FRP) composites. This paper experimentally investigates the effects of using APP, as a fire-retardant filler, on mechanical properties (i.e. ultimate tensile, flexural, and bond strength) of glass fiber-reinforced polymer (GFRP) and carbon fiber-reinforced polymer (CFRP) composites. Based on two fiber types (i.e. carbon and glass) and three different APP mass fractions in resin (i.e. 0, 20, and 40% of total weight of matrix), six sets of specimens were prepared for each... 

In this study, degradation of trichloroethylene (TCE), a chlorinated hydrocarbon, using starch supported Fe/Ni nanoparticles was investigated. The scanning electron microscope images showed applying water soluble starch as a stabilizer for the Fe/Ni nanoparticles tended to reduce agglomeration and discrete particle. Also the mean particle diameter reduced from about 70 nm (unsupported Fe/Ni nanoparticle) to about 30 nm. Effects of three key independent operating parameters including initial TCE concentration (10.0-300.0 mg L-1), initial pH (4.00-10.00) and Fe0 dosage (0.10-2.00) g L-1 on TCE dechlorination efficiency in 1 hour were analysed by employing response surface methodology (RSM).... 

It is known that Fluoride ions strongly affect bone mineralization and formation. In the present study, the engineered bone tissue scaffolds are fabricated using silk fibroin (SF) and flouridated TiO2 nanoparticles. TiO2 nanoparticles are modified by fluoride ions, and different levels (0, 5, 10, 15 and 20 wt%) of the fluoridated TiO2 nanoparticles (TiO2-F) were subsequently added to the SF matrix through phase separation method to prepare silk fibroin/flouridated TiO2 nanocomposite scaffolds (SF/TiO2-F). Phase structure, functional groups, morphology and mechanical properties of the obtained scaffolds were evaluated by X-ray diffraction method (XRD), Fourier transform infrared spectroscopy... 

A novel sulfoxide containing bis(ether amine) monomer, 2,2'-sulfoxide- bis[4-methyl(2-trifluoromethyl)4-aminophenoxy) phenyl ether] (M2), was synthesized from the halogen displacement of 2-chloro-5-nitrobenzotrifluoride with dibenzosulfoxide (DH) in the presence of potassium carbonate, followed by catalytic reduction of bis(ether nitro) intermediate with Zinc/Ammonium chloride. A series of organic-soluble poly(ether amide)s (PA1-7) bearing sulfoxide and electronwithdrawing trifiuoromethyl group were synthesized from bis(ether amine) with various aromatic diacids (1-7) via a direct polycondensation with triphenyl phosphite and pyridine. The resulting polymers had inherent viscosities ranging... 

According to the latest report from the World Health Organization, an estimated 265,000 deaths still occur every year as a direct result of burn injuries. A widespread range of these deaths induced by burn wound happens in low- and middle-income countries, where survivors face a lifetime of morbidity. Most of the deaths occur due to infections when a high percentage of the external regions of the body area is affected. Microbial nutrient availability, skin barrier disruption, and vascular supply destruction in burn injuries as well as systemic immunosuppression are important parameters that cause burns to be susceptible to infections. Topical antimicrobials and dressings are generally...