Sharif Digital Repository

A simple, rapid, and highly regioselective green protocols for the synthesis of β-hydroxylnitriles by the direct reaction of epoxides with trimethylsilyl cyanide in the presence of catalytic amount of lithium perchlorate under solvent free conditions in high to quantitative yield is reported. © 2005 Elsevier B.V. All rights reserved  

A combination of silica sulfuric acid and potassium chlorate or oxone® and silica chloride in the presence of wet SiO2 was used as an effective oxidizing agent for the oxidation of urazoles and bis-urazoles to their corresponding triazolinediones under mild and heterogeneous conditions with moderate to excellent yields. © 2006 Elsevier B.V. All rights reserved  

Catalytic hydrocracking of topped Athabasca bitumen was investigated in a continuous stirred-basket 0reactor, using a fresh and spent commercial catalyst, as well as in the presence of no catalyst. A continuous lumping model was developed for kinetic analysis of hydrodenitrogenation and hydrocracking reactions. The normalized boiling point was used to describe the reactant mixture as a continuous mixture. The continuous model, with five adjustable parameters, was used to describe hydrocracking reactions. Reactions of nitrogen compounds were described by series reactions, involving cracking to lower molecular weight products, as well as direct denitrogenation. The model was able to accurately... 

An operationally simple and entirely green protocol for heteropoly acid catalyst conjugate addition of indoles and pyrrole to unsaturated carbonyl compounds and nitro-alkene in water was investigated. It is important that the products arising from 1,2-addition were not observed under the reaction conditions. Pyrroles also readily underwent Michael addition at Α-positions under the same reaction conditions. Indole and many of its derivatives are present in many substances commonly found in nature. Micheal addition reactions are performed in organic solvents with the reactions in water are relatively scarce. The Michael addition between indole and methyl vinyl ketone in the presence of... 

A novel superabsorbent composite based on chitosan was prepared by graft copolymerization of acrylic acid (AA) in the presence of kaolin powder using methylenebisacrylamide (MBA) as a crosslinking agent and ammonium persulfate (APS) as an initiator. The synthetic variables (i.e. AA, MBA, and APS concentration, and the kaolin amount) affecting the water absorbency of the resulting superabsorbent composite were studied. Evidence of grafting and kaolin interaction was obtained by comparing the FTIR spectra of the initial substrates with that of the superabsorbent composite. A new absorption band at 1722 cm-1 in the composite spectrum confirmed the kaolin-organic polymer linkage. The effect of... 

In this work, we synthesize a novel protein-based superabsorbent hydrogel and study its swelling behavior. The crosslinking graft copolymerization of acrylic acid (AA) onto the hydrolyzed collagen as a protein backbone was carried out in a homogeneous medium. Potassium persulfate (KPS) as an initiator and N,N′-methylene bisacrylamide (MBA) as a crosslinker were used. The product's structure was established using FTIR spectroscopy. We were systematically optimized the certain variables of the graft copolymerization (i.e. the monomer, the initiator, and the crosslinker concentration) to achieve a hydrogel with maximum swelling capacity. Under this condition, maximum capacity of swelling in... 

Using restricted Hartree-Fock (RHF) and density functional theory (DFT) methods at gauge invariant atomic orbital (GIAO) condition, chemical shielding of 13C and 15N nuclei of imidazole and its 4-nitro derivative at different temperatures were calculated. Since we have used the realized structures determined by X-ray and neutron diffraction methods, accuracy of calculated results is improved. By partially optimization of structures of 4-nitroimidazole, determined by X-ray crystallography, the obtained results of these structures are also better than nonoptimized structures. Additionally, we have obtained an optimized geometry for hydrogen bond in structures mentioned above. © 2006 Elsevier... 

This study examines the air quality on line 1 and 2 of Tehran underground metro. The total suspended particulate (TSP), PM10, PM2.5, PM1, CO2, NO, NO2, SO2, relative humidity and air temperature were measured. An integrated air quality index was also calculated for each location. The results revealed that, PMlO, PM2.5, and SO2 concentrations are higher than their environmental standard levels. The in station CO2 levels are higher while its' in train levels are lower than environmental permissible level. The air quality index showed that the in-train air quality is more acceptable than the instation air quality  

A novel magnetic heterogeneous copper catalyst was synthesized by immobilization of copper ions onto triazole functionalized Fe3O4. The catalyst was fully characterized by FT-IR, TGA, CHN, SEM, TEM, EDX and atomic adsorption spectroscopy. The resulting catalyst was used in the synthesis of 1,2,3-triazoles via a one-pot three component reaction of alkynes, alkyl halides, sodium azides under green conditions. The catalyst was reused ten times and no significant loss of activity was observed  

Perovskite solar cells have been constructed under the standard procedure by employing soluble tetratriphenylamine-substituted Zn phthalocyanine as hole transporting material. Solution processed device construction was carried out under ambient conditions of 50–60% ambient humidity. Triphenylamine substitution played the double role of imparting solubility to the core metal phthalocyanine as well as to introduce electron-rich ligands, which could enhance the role of Zn phthalocyanine as hole transporter. Indeed, the obtained material was functional. The present data highlight tetratriphenylamine-substituted Zn phthalocyanine as hole transporting material but also highlight the importance of... 

An efficient electrocatalyst for Pt-free I−/I3 − reduction has been synthesized by high temperature treatment of graphene oxide-cobalt phthalocyanine mixtures. The graphitic material was characterized by various techniques and was found to consist of reduced graphene oxide carrying CoN3 entities, obtained by thermal decomposition of cobalt phthalocyanine. This material had an ionization potential equal to 4.9±0.1 eV and thus it was judged appropriate to act as reduction electrocatalyst for the I−/I3 − redox electrolyte. It was subsequently deposited as thin film on FTO electrodes, which were employed as counter electrodes for dye-sensitized solar cells. Its capacity to reduce I−/I3 − redox... 

Copper phthalocyanine can effectively act as alternative small molecule hole transporting material in perovskite solar cells. In order to produce solution processed devices, a soluble copper phtalocyanine has been synthesized by n-butyl substitution and it was compared to commercially available tert-butyl substituted copper phthalocyanine. It was found that the configuration of the butyl chain plays a very important role in film conductivity and in the subsequent efficiency of solar cells, n-bytyl derivative being the most effective hole transporter. Such a result is due to the fact that n-butyl derivative allows better packing of the molecules in the film and stronger π-π interaction  

The preparation of two new azulene-based imine ligands N-(2,6-diisopropylphenyl)-6-tBu-1-azulenylmethaneimine, 3, and N-(2,6-diisopropylphenyl)-6-tBu-3-(2,6-diisopropylphenyliminomethyl)-1-azulenylmethaneimine, 4, is described. These imine ligands display stimuli responsive emissive behavior and their fluorescence can be switched on and off by protonation and neutralization with trifluoroacetic acid and trimethylamine, respectively. The cyclometalation of the monoimine ligand by platinum gave the cyclometalated complex [PtMe(SMe2)(3′)], 5, (where the prime denotes the cyclometalated ligand 3). The reaction of 5 with TlPF6 yields the trinuclear bent Pt2Tl complex {[PtMe(SMe2)(3′)]2(μ-Tl)}PF6,... 

Molybdenum(VI)–oxodiperoxo complex containing an oxazine ligand, ([MoO(O2)2(phox)], phox: 2-(2′-hydroxyphenyl)-5,6-dihydro-1,3-oxazine) was conveniently synthesized and immobilized onto chloro-functionalized mesoporous silica SBA-15 by covalent bonding between the chloropropyl group on the internal surface of the pores and the nitrogen atom of oxazine ligand yielding [MoO(O2)2(phox)]/SBA-15. The resulting material was characterized by FT-IR, TGA, XRD, SEM, TEM, EDX, ICP-AES, BET and UV–vis spectroscopy. The heterogeneous catalyst [MoO(O2)2(phox)]/SBA-15 was employed in the epoxidation of alkenes, exhibiting high catalytic performance and selectivity for epoxide similar to that of homogeneous... 

SiBNC nanofibers were synthesized through the polymeric route by a one-pot synthesis approach. DMTA (dichloroboryl methyl trichlorosilyl amine) polymer was selected as pre-ceramic for SiBNC, which was shaped into nanofibers by electrospinning. Then, the nanofibers were cured in an inert atmosphere in order to obtain the final ceramic. By changing the curing atmosphere, the compound of final ceramic has been manipulated. In addition, the ceramic yield of DMTA as a preceramic was increased in the nitrogen atmosphere. The effects of applied voltage, solution concentration, and feeding rate on the morphology of final electrospun ceramic nanofibers were also investigated. Final ceramic remains... 

Gas-phase acidities of nucleosides, combined with the knowledge of deprotonation sites, could improve our understanding of chemical reactions to biological systems. In this paper, we mainly focus our attention on the influence of cation coordination on acidities of multiple sites in cytosine nucleosides. The acidities of multiple sites in M +-L (where L represents cytosine nucleosides and M + is an alkali metal ion, including Li +, Na + and K +) complexes have been investigated theoretically, employing B3LY P6-311++G(d,p) basis sets. The geometrical characters, gas-phase acidities, sugar puckering and electronic properties of non-deprotonated and/or deprotonated complexes have been... 

Perovskite solar cells have been constructed under ambient conditions by using 2,2',7,7'-Tetrakis-(N,N-di-4-methoxyphenylamino)-9,9'-spirobifluorene (spiro-OMeTAD) mixed with a small quantity of soluble tetra-n-butyl substituted copper phthalocyanine as hole transporting material. The introduction of the phthalocyanine derivative resulted in an impressive increase of cell efficiency, which changed from 10.4% in the absence to 15.4% in the presence of phthalocyanine. This effect is related to the creation of deep traps in the hole transporting phase which block back-travelling electrons as well as to the improvement of the structural quality of the spiro-OMeTAD film in the presence of... 

Readily prepared copper nanoparticles supported on CeO2 have been found to effectively catalyse the 1,3-dipolar cycloaddition (CuAAC) of a variety terminal alkynes and organic azides generated in situ from sodium azide and different organic halides furnishing the corresponding 1,2,3-triazoles in excellent yields. Cu nanoparticles supported on CeO2 have been characterized by X-ray diffraction analysis, energy dispersive X-ray analysis, scanning electron microscope and transmission electron microscope. The salient features of the present protocol are shorter reaction time, mild reaction conditions, reusability of the catalyst, and applicability to a wide range of substrates. © 2016 Elsevier... 

The reaction of Fe(acac)3 and 2-(2′-hydroxyphenyl)oxazoline (Hphox) as a bidentate O,N donor ligand afforded a six-coordinated iron(III) complex [Fe(phox)2(acac)] with distorted octahedral configuration. The complex was isolated as an air-stable crystalline solid and characterized by elemental analysis, FTIR, solution electrical conductivity, and by single-crystal X-ray structure analysis. The structure, electronic properties, and vibrational normal modes of the complex were investigated by DFT. The use of this complex as a catalyst for the oxidation of sulfides to their corresponding sulfoxides using urea hydrogen peroxide as the primary oxidant was investigated. The catalyst shows very... 

Perovskite solar cells have been constructed under ambient conditions by using 2,2',7,7'-Tetrakis-(N,N-di-4-methoxyphenylamino)-9,9'-spirobifluorene (spiro-OMeTAD) mixed with a small quantity of soluble tetra-n-butyl substituted copper phthalocyanine as hole transporting material. The introduction of the phthalocyanine derivative resulted in an impressive increase of cell efficiency, which changed from 10.4% in the absence to 15.4% in the presence of phthalocyanine. This effect is related to the creation of deep traps in the hole transporting phase which block back-travelling electrons as well as to the improvement of the structural quality of the spiro-OMeTAD film in the presence of...