Sharif Digital Repository

Superhydrophobic materials have attracted many attentions in recent years while their application in sample preparation remained almost intact. In this project, a rough surface of melamine formaldehyde foam was silanized by chemical deposition of trichloromethylsilane to form a highly porous and superhydrophobic material, presumably a suitable medium for extracting non–polar compounds such as benzene and its methyl derivatives. The prepared sorbent was packed in a needle for the headspace needle–trap microextraction of benzene, toluene, ethylbenzene and xylenes (BTEX). Major parameters associated with the extraction/desorption processes were considered for optimization. Under the optimized... 

Land use regression (LUR) has not been applied thus far to ambient alkylbenzenes in highly polluted megacities. We advanced LUR models for benzene, toluene, ethylbenzene, p-xylene, m-xylene, o-xylene (BTEX), and total BTEX using measurement based estimates of annual means at 179 sites in Tehran megacity, Iran. Overall, 520 predictors were evaluated, such as The Weather Research and Forecasting Model meteorology predictions, emission inventory, and several new others. The final models with R2 values ranging from 0.64 for p-xylene to 0.70 for benzene were mainly driven by traffic-related variables but the proximity to sewage treatment plants was present in all models indicating a major local... 

A new di-manganese complex with "back-to-back" 1,4-bis(2,2′:6,2′′-terpyridin-4′-yl) benzene ligation has been synthesized and characterised by a variety of techniques. The back-to-back ligation presents a novel new mononuclear manganese catalytic centre that functions as a heterogeneous catalysis for the evolution of oxygen in the presence of an exogenous oxidant. We discuss the synthesis and spectroscopic characterizations of this complex and propose a mechanism for oxygen evolution activity of the compound in the presence of oxone. The di-manganese complex also shows efficient and selective catalytic oxidation of sulfides in the presence of H2O2. Density functional theory calculations were... 

The effects of water vapor on CO2/CH4 separation using commercially available poly(2,6-dimethyl-1,4-phenylene oxide) (PPO) and Cardo-type polyimide hollow fiber membranes were investigated. Pure methane and CO2/CH4 mixture permeation experiments were carried out in the absence and presence of water vapor (60% RH). Pure methane permeance decreased in the presence of water vapor for both membrane types. The decrease was 28% for hydrophilic Cardo-type polyimide and 6% for hydrophobic PPO membranes. The decline in the permeance was also observed for CO2/CH4 mixture separation through both membranes. However, selectivities of the two membranes were affected differently by water vapor. The... 

The spatiotemporal variability of ambient volatile organic compounds (VOCs) in Tehran, Iran, is not well understood. Here we present the design, methods, and results of the Tehran Study of Exposure Prediction for Environmental Health Research (Tehran SEPEHR) on ambient concentrations of benzene, toluene, ethylbenzene, p-xylene, m-xylene, o-xylene (BTEX), and total BTEX. To date, this is the largest study of its kind in a low- and middle-income country and one of the largest globally. We measured BTEX concentrations at five reference sites and 174 distributed sites identified by a cluster analytic method. Samples were taken over 25 consecutive 2-weeks at five reference sites (to be used for... 

The catalytic activity of highvalent iron-oxo active species of heme enzymes is known to be dependent on the nature of the axial ligand trans to the iron-oxo group. In a similar fashion, experimental studies on iron-oxo porphyrin biomimetic systems have shown a significant axial ligand effect on ethylbenzene hydroxylation, with an axial acetonitrile ligand leading to phenyl hydroxylation products and an axial chloride anion giving predominantly benzyl hydroxylation products. To elucidate the fundamental factors that distinguish this regioselectivity reversal in iron-oxo porphyrin catalysis, we have performed a series of density functional theory calculations on the hydroxylation of... 

The purpose of this study was to develop the structure-toxicity relationships for a large group of 268 substituted benzene to the ciliate Tetrahymena pyriformis using mechanistically interpretable descriptors. The shuffling-adaptive neuro fuzzy inference system (Shuffling-ANFIS) has been successfully applied to select the important factors affecting the toxicity of substituted benzenes to T. pyriformis. The results of the proposed model were compared with the model of linear-free energy response surface and also the principal component analysis Bayesian-regularized neural network (PCA-BRANN) trained using the same data. The presented model shows a better statistical parameter in comparison... 

The synthesis of functionalized benzothiadiazine 1,1-dioxide derivatives was achieved through a novel three-component intramolecular C–H activation reaction of trichloroacetonitrile, benzenesulfonyl chloride, and various primary amines. This reaction was performed in the presence of catalytic copper(I) and L-proline as the ligand in tetrahydrofuran at room temperature. © 2018 Elsevier Ltd  

Some new 1,4-distyrylbenzene derivatives were synthesized by using immobilized palladium nanoparticles on silica-bonded N-propyl morpholine (PNP-SBNPM) as a heterogeneous catalyst. These one-pot reactions afforded a range of stereoselective, symmetrical (E)-1,4-distyrylbenzene derivatives with high yields (78-90%). The green catalyst system is recyclable and allows facile product isolation. The recycled catalyst could be reused six times without appreciable loss of catalytic activity