Sharif Digital Repository

Degradation of Clindamycin phosphate (CMP) was studied in aqueous solutions by an anodic oxidation process under galvanostatic conditions. The electrolysis cell consisted of a Ti/SnO2-Sb anode, prepared by dip-coating technique, and a 316 stainless steel cathode, both of which had a surface area of 6 cm2. The effects of critical factors, including CMP concentration, current density, initial pH, and the supporting electrolyte were evaluated. The electrochemical oxidation of CMP was controlled by mass transport within the studied range. The kinetic analysis indicated that the degradation reactions followed pseudo-first-order equation. The rate of CMP decay, as well as that of COD removal,... 

At room temperature, alcohols and phenols are efficiently protected with hexamethyldisilazane (HMDS) in the presence of silica sulfuric acid in good to excellent yields. The catalyst can be recycled for subsequent reactions without any appreciable loss of efficiency. Copyright © Taylor and Francis Group, LLC  

Various diesters successfully undergo a double Fries rearrangement to afford the corresponding bis o-hydroxylaryl ketones, in the presence of AlCl3 under microwave irradiation. © 2006 Bentham Science Publishers Ltd  

Various alcohols and phenols were silylated to trimethylsilyl ethers with hexamethyldisilazane in the presence of solid lithium perchlorate under very mild, neutral, and solvent-free conditions in good to excellent yields  

A very efficient and mild procedure for the trimethylsilylation of a wide variety of alcohols, including primary, allylic, benzylic, secondary, hindered secondary, tertiary, and phenols with hexamethyldisilazane on the surface of silica gel dispersed with LiClO4 in room temperature at few minutes in excellent yields under neutral conditions is reported. This procedure also allows the excellent selectivity under LP-SiO2 system for silylation of alcohols in the presence of amine and phenolic hydroxy groups  

In the present study, the ACF-TiO2 catalyst was synthesised and used as a catalyst for the destruction of toxic cyanide in both synthetic and real industrial wastewaters. The ACF-TiO2 catalyst was found to be micro-porous with the BET surface area of 163 m2/g. The effect of different operational parameters such as catalyst concentration, cyanide concentration, operation time, and ozone concentration were target parameters in the present study. The findings show that 500 mg/L of catalyst is the optimum value for the photocatalytical process to completely oxidise 25 mg/L of cyanide within 10 min. While it was found that 300 mg/L of catalyst in the presence of 200 mg/h ozone is enough to remove... 

Density functional theory method and B3LYP/6-311++G(d,p) level of theory were used to determine the acidity of α-carbon in the hydroxyl derivatives of beta diketones in the gas phase. An investigation of acidity strength in the gas phase indicates that α-carbon of hydroxyl derivatives of beta diketones become stronger acids than the α-carbon of beta diketone itself as their conjugate bases gain more stability via both enolate and hydrogen bond formation. Natural bond orbital and quantum theory of atoms in molecules analyses also confirm the role of hydrogen bond interactions on increasing the acidity of α-carbon of hydroxyl derivatives of beta diketones. © 2020 John Wiley & Sons, Ltd  

In the present study, the ACF-TiO2 catalyst was synthesised and used as a catalyst for the destruction of toxic cyanide in both synthetic and real industrial wastewaters. The ACF-TiO2 catalyst was found to be micro-porous with the BET surface area of 163 m2/g. The effect of different operational parameters such as catalyst concentration, cyanide concentration, operation time, and ozone concentration were target parameters in the present study. The findings show that 500 mg/L of catalyst is the optimum value for the photocatalytical process to completely oxidise 25 mg/L of cyanide within 10 min. While it was found that 300 mg/L of catalyst in the presence of 200 mg/h ozone is enough to remove... 

The kinetics and mechanism of the reactions of hydroxylamine and aminoxide anion with methyl iodide were studied with ab initio calculations, Monte-Carlo and QM/MM simulations in gas and aqueous phases. Geometrical parameters and charge calculations show that these reactions proceed through the SN2 (bimolecular nucleophilic displacement) mechanism only. The solvent effects on these reactions were studied by inserting water molecules in reaction media, Onsager model, Monte-Carlo and QM/MM simulations. Activation parameters indicate the expected variation in activation energy and rate coefficient in aqueous phase in comparison to the gas phase. The shift of potential energy barrier through the... 

A very efficient and mild procedure for the trimethylsilylation of a wide variety of alcohols, including primary, allylic, benzylic, secondary, hindered secondary, tertiary, and phenols with hexamethyldisilazane on the surface of silica gel dispersed with LiClO4 in room temperature at few minutes in excellent yields under neutral conditions is reported. This procedure also allows the excellent selectivity under LP-SiO2 system for silylation of alcohols in the presence of amine and phenolic hydroxy groups. © 2005 Elsevier B.V. All rights reserved  

An Iron(lV)-oxo heme(+·) complex (Compound I, Cpd I) is the proposed active species of heme enzymes such as the cytochromes P450 and Is elusive; therefore, biomimetic studies on active site mimics give valuable Insight Into the fundamental properties of heme active species. In this work we present density functional theory (DFT) calculations on substrate hydroxylatlon by a Compound I mimic [FeIV=O(Por+̇)Cl] and its one-electron reduced form [FeIV=O(Por)Cl]-. Thus, recent experimental studies showed that [FeIV =O(Por)Cl]- is able to react with substrates via hydride transfer reactions [Jeong, Y. J.; Kang, Y.; Han, A.-R.; Lee, Y.-M.; Kotani, H.; Fukuzumi, S.; Nam, W. Angew. Chem., Int. Ed.... 

Titania was deposited on glass fibers with a partial epoxy layer coating from a solution containing TiO2 nanoparticles at T = 90°C, and the adsorption process was examined by X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), Fourier transform infrared (FT-IR) spectroscopy, and photocatalytic activity measurements. XPS data demonstrated that about 25% of the surface was covered with TiO2 nanoparticles, with 10% on the epoxy layer and 15% on the glass body. It was found that TiO2 nanoparticles can be readily adsorbed on epoxy groups, whereas they have a low tendency to adsorb on carbon polymer chains. This difference can be... 

The pK a of an acyclic aliphatic heptaol ((HOCH 2CH 2CH(OH)CH 2) 3COH) was measured in DMSO, and its gas-phase acidity is reported as well. This tertiary alcohol was found to be 10 21 times more acidic than tert-butyl alcohol in DMSO and an order of magnitude more acidic than acetic acid (i.e., pK a = 11.4 vs 12.3). This can be attributed to a 21.9 kcal mol -1 stabilization of the charged oxygen center in the conjugate base by three hydrogen bonds and another 6.3 kcal mol -1 stabilization resulting from an additional three hydrogen bonds between the uncharged primary and secondary hydroxyl groups. Charge delocalization by both the first and second solvation shells may be used to facilitate... 

The effect of oxygenate modifiers on the performance of PtSnγAl 2O3 catalyst in dehydrogenation of propane was studied. Dehydrogenation reaction was carried out in a fixed-bed quartz reactor in the temperature range of 575620 °C. Two types of oxygenate modifiers, namely water and methanol, were added to the feed. The optimum amounts of water for reaction temperatures of 575, 600 and 620 °C were 84, 120 and 140 ppm, respectively. The optimum amounts of methanol for the same reaction temperatures were 9.9, 25 and 50 ppm, respectively. Any further addition of water or methanol beyond these optimum levels resulted in a loss in activity. The addition of water or methanol led to the formation of... 

Natural and synthetic anion receptors are extensively employed, but the structures of their bound complexes are difficult to determine in the liquid phase. Infrared spectroscopy is used in this work to characterize the solution structures of bound anion receptors for the first time, and surprisingly only two of three hydroxyl groups of the neutral aliphatic triols are found to directly interact with Cl-. The binding constants of these triols with zero to three CF3 groups were measured in a polar environment, and KCD3CN(Cl-) = 1.1 × 106 M-1 for the tris(trifluoromethyl) derivative. This is a remarkably large value, and high selectivity with respect to interfering anions such as, Br-, NO3 -... 

Density functional theory method and B3LYP/6-311++G(d,p) level of theory were used to determine the acidity of α-carbon in the hydroxyl derivatives of beta diketones in the gas phase. An investigation of acidity strength in the gas phase indicates that α-carbon of hydroxyl derivatives of beta diketones become stronger acids than the α-carbon of beta diketone itself as their conjugate bases gain more stability via both enolate and hydrogen bond formation. Natural bond orbital and quantum theory of atoms in molecules analyses also confirm the role of hydrogen bond interactions on increasing the acidity of α-carbon of hydroxyl derivatives of beta diketones. © 2020 John Wiley & Sons, Ltd  

The rheological properties of fuel suspensions with various solid loadings up to close their maximum packing fraction and suspending media having different viscosities are investigated using the rotational viscometer at relatively low shear rates in which suspensions behave as Newtonian fluids. Aluminum (Al) and ammonium perchlorate (AP) particles are major solid components of any solid fuel system which should be distributed uniformly inside a polymeric binder based on hydroxyl terminated polybutadiene (HTPB). The experimental data generated in this investigation indicates that the relative viscosity of the suspensions is independent of viscosity of polymer binder, but in addition to solid... 

A novel ɑ-NiMoO4/ɑ-MoO3 binary nanocomposite was fabricated by using facile method. The fabricated nanocomposite was characterized by various techniques, and the photocatalytic activity was evaluated in degradation of Acid blue 92 dye. Among of as-made photocatalysts with various weight ratios of ɑ-MoO3, ɑ-NiMoO4/ɑ-MoO3 (1:5%w/w) exhibited the best photocatalytic performance, and selected as optimum photocatalyst. Under optimum reaction conditions ([dye] = 10 mg L−1, [catalyst] = 200 mg L−1, and pH = 7.0), complete removal efficiency was obtained within 100 min. Also, the first-order rate constant value of reaction in the presence of ɑ-NiMoO4/ɑ-MoO3 was calculated to be 0.032 min−1 that was... 

With the high rate of mortality associated with breast cancer among women, breast cancer treatment has attracted great deal of attention globally. To reduce the exposure of body organs to high cytotoxicity of the common chemotherapeutic drugs, local co-delivery of selected chemotherapeutics has emerged as a solution. In this work, an electrospun composite including a co-drug-loaded graphene oxide-based nanocarrier is fabricated for local anticancer applications. To increase dispersion and cellular uptake of graphene oxide (GO), first, the hydroxyl groups at the edges of GO are grafted by poly (epichlorohydrin) (PCH) to form GO-PCH. Then, the hydroxyl end groups of PCH are grafted (g) with...