Sharif Digital Repository

A series of new ternary zinc(II) complexes [Zn(L1-10)(phen)], where phen is 1,10-phenanthroline and H2L1-10 = tridentate Schiff base ligands derived from the condensation of amino acids (glycine, l-phenylalanine, l-valine, l-alanine, and l-leucine) and salicylaldehyde-5-sulfonates (sodium salicylaldehyde-5-sulfonate and sodium 3-methoxy-salicylaldehyde-5-sulfonate), have been synthesized. The complexes were characterized by elemental analysis, IR, UV-vis, 1H NMR, and 13C NMR spectra. The IR spectra of the complexes showed large differences between νas(COO) and νs(COO), Δν (νas(COO) - νs(COO)) of 191-225 cm-1, indicating a monodentate coordination of the carboxylate group. Spectral data... 

The learning vector quantization (LVQ) neural network is a useful tool for pattern recognition. Based on the network weights obtained from the training set, prediction can be made for the unknown objects. In this paper, discrimination of wines based on 2D NMR spectra is performed using LVQ neural networks with orthogonal signal correction (OSC). OSC has been proposed as a data preprocessing method that removes from X information not correlated to Y. Moreover, the partial least squares discriminant analysis (PLS-DA) method has also been used to treat the same data set. It has been found that the OSC-LVQ neural networks method gives slightly better prediction results than OSC-PLS-DA © 2005... 

Molecules acting as antioxidants capable of scavenging reactive oxygen species (ROS) are of upmost importance in the living cell. Thymol derivatives exhibit various antioxidant activities and potential health benefits. Exploration of structure-radical scavenging activity (SAR) was approached with a wide range of thymol derivatives. To accomplish this task, the DPPH experimental assay along with quantum-chemical calculations were also employed for these compounds. By comparing the structural properties of the derivatives of interest, their antioxidant activity was explained by the formation of an intramolecular hydrogen bond and the presence of unsaturated double bond (–CHdouble bond; length... 

A solution of polyamide (PA) containing polyethylene glycol (PEG) as a side low-molecular-weight polymer was electrospun. After synthesizing the PA-PEG nanofibers, the constituent was subsequently removed (modified PA) and confirmed by Fourier transform infrared spectroscopy. The scanning electron microscopy images showed an average diameter of 640 and 148 nm for PA and PA-PEG coatings, respectively, while the latter coating structure was more homogeneous and porous. The extraction efficiencies of PA, PA-PEG, and the modified PA fiber coatings were assayed by headspace solid-phase microextraction of a number of chlorophenols from real water samples followed by their determination by gas... 

In the present work, an amperometric inhibition biosensor for the determination of sulfide has been fabricated by immobilizing Coprinus cinereus peroxidase (CIP) on the surface of screen printed electrode (SPE). Chitosan/acrylamide was applied for immobilization of peroxidase on the working electrode. The amperometric measurement was performed at an applied potential of -150. mV versus Ag/AgCl with a scan rate of 100. mV in the presence of hydroquinone as electron mediator and 0.1. M phosphate buffer solution of pH 6.5. The variables influencing the performance of sensor including the amount of substrate, mediator concentration and electrolyte pH were optimized. The determination of sulfide... 

To overcome the drawback of poor solar light utilization brought about by the narrow photoresponse range of TiO2, a silver and sulfur co-doped TiO2 was synthesized. Using the prepared catalyst, solar photocatalytic degradation of 2-nitrophenol (2-NP) by a TiO2-based catalyst was studied for the first time. Effects of the co-doping on the structural, optical and morphological properties of the synthesized nanoparticles were investigated by different characterization methods: X-ray diffraction, N2 adsorption-desorption measurements, scanning electron microscopy, transmission electron microscopy, energy-dispersive X-ray spectroscopy, UV-visible diffuse reflectance spectroscopy and Fourier... 

In this study, organic aerogels were synthesized by the sol-gel polycondensation of mixed cresol with formaldehyde in a slightly basic aqueous solution. Carbon aerogels and xerogels are generated by pyrolysis of organic aerogels. The novel sol-gel-based micro-solid-phase extraction sorbent, resorcinol-formaldehyde xerogel, was employed for preconcentration of some selected herbicides. Three herbicides of the aryloxyphenoxypropionate group, clodinafop-propargyl, haloxyfop-etotyl, and fenoxaprop-P-ethyl, were extracted from aqueous samples by micro-solid-phase extraction and subsequently determined by gas chromatography with mass spectrometry. The effect of different parameters influencing the... 

S. lanata has been traditionally used as a medicinal plant due to its various biological activities such as antioxidant activity. Therefore, identification and quality control studies of this plant are of great importance. To this end, gas chromatography (GC) combined with chemometrics was proposed for fingerprint analysis of S. lanata samples. This study sought to classify GC fingerprints of twenty-eight S. lanata samples from eight different regions of Iran and more importantly, to correlate fingerprints to the antioxidant activity to select S. lanata volatile antioxidant markers. S. lanata samples were classified into five and three classes using partial least squares-discriminant... 

Aims: The metabolism of phenanthrene and anthracene by a moderate thermophilic Nocardia otitidiscaviarum strain TSH1 was examined. Methods and Results: When strain TSH1 was grown in the presence of anthracene, four metabolites were identified as 1,2-dihydroxy-1,2-dihydroanthracene, 3-(2-carboxyvinyl)naphthalene-2-carboxylic acid, 2,3-dihydroxynaphthalene and benzoic acid using gas chromatography-mass spectrometry (GC-MS), reverse phase-high performance liquid chromatography (RP-HPLC) and thin-layer chromatography (TLC). Degradation studies with phenanthrene revealed 2,2′-diphenic acid, phthalic acid, 4-hydroxyphenylacetic acid, o-hydroxyphenylacetic acid, benzoic acid, a phenanthrene... 

A quantitative structure-mobility relationship was developed to accurately predict the electrophoretic mobility of organic acids. The absolute electrophoretic mobilities (μ0) of a diverse dataset consisting of 115 carboxylic and sulfonic acids were investigated. A set of 1195 zero- to three-dimensional descriptors representing various structural characteristics was calculated for each molecule in the dataset. Classification and regression trees were successfully used as a descriptor selection method. Four descriptors were selected and used as inputs for adaptive neuro-fuzzy inference system. The root mean square errors for the calibration and prediction sets are 1.61 and 2.27, respectively,... 

Mass transfer efficiency and catalytic reactivity are the two major hurdles for heterogeneous catalytic wet peroxide oxidation (CWPO) technologies. To address these issues, nanocomposite CuFeO2/Al2O3 was synthesized and assessed as a novel catalyst for enhanced adsorption and oxidation of anionic pollutants (catechol and reactive red 195 (RR195)) in waters. With a positive charge on the nanocomposite by introducing Al2O3, the adsorption of anionic pollutants was promoted. The surface complexation reaction on CuFeO2/Al2O3, which fits well to the Langmuir isotherm, has engined the mass transfer of pollutants to the nanocatalyst that demonstrated 96.46% and 99.75% removal of catechol and RR195... 

In the present study, a magnetic core-shell metal-organic framework (Fe3O4@PAA@UiO-66-NH2) nanocomposite was synthesized by a facile step-by-step self-assembly technique and used for selective adsorption of the anti-cancer Quercetin (QCT) drug. The synthesized nanocomposite was well characterized using FTIR, XRD, BET, FESEM, and TEM techniques. The adsorption kinetics and isotherms of the magnetic nanocomposites for QCT were investigated in detail at different initial concentrations and temperatures. It was found that the experimental adsorption kinetic and isotherm data were precisely explained by the pseudo-second-order kinetic and Langmuir isotherm models. Moreover, the selective... 

In the present study, a magnetic core-shell metal-organic framework (Fe3O4@PAA@UiO-66-NH2) nanocomposite was synthesized by a facile step-by-step self-assembly technique and used for selective adsorption of the anti-cancer Quercetin (QCT) drug. The synthesized nanocomposite was well characterized using FTIR, XRD, BET, FESEM, and TEM techniques. The adsorption kinetics and isotherms of the magnetic nanocomposites for QCT were investigated in detail at different initial concentrations and temperatures. It was found that the experimental adsorption kinetic and isotherm data were precisely explained by the pseudo-second-order kinetic and Langmuir isotherm models. Moreover, the selective... 

The demand and importance of fairness creams as a major cosmetic have increased significantly in recent years. However, some of these cosmetics contain heavy metals, hydroquinone and microorganism that can cause various health problems. Therefore, the aim of this study is to determine and examine the concentration of metals (i.e. Cd, Pb, Cr, Ni, Zn, Hg), hydroquinone and microorganisms in nine different fairness creams produced by local and international brands. The health risk assessment of the tested substances for consumers was accessed through systemic exposure dosage (SED), margin of safety (MoS), lifetime cancer risk (LCR), hazard quotient (HQ) and hazard index (HI). The concentration... 

An electro membrane extraction (EME) methodology was utilized to study the isolation of some environmentally important pollutants, such as chlorophenols, from aquatic media based upon the electrokinetic migration process. The analytes were transported by application of an electrical potential difference over a supported liquid membrane (SLM). A driving force of 10 V was applied to extract the analytes through 1-octanol, used as the SLM, into a strongly alkaline solution. The alkaline acceptor solution was subsequently analyzed by high performance liquid chromatography-ultraviolet (HPLC-UV) detection. The parameters influencing electromigration, including volumes and pH of the donor and... 

Sample preparation for non-target analysis is challenging due to the difficulty in the extraction of polar and non-polar analytes simultaneously. Most commercial solid sorbents lack the proper comprehensiveness for extraction of analytes with different physiochemical properties. A possible key is the combination of hydrophobic polymer and hydrophilic surface functional groups in solid based extraction methods in order to generate the susceptibility for retaining both polar and non-polar analytes. To pursue this goal, in this study, four polar groups including [sbnd]NH 2 , [sbnd]NO 2 , [sbnd]COOH, and [sbnd]COCH 3 were chemically bound to Amberlite XAD-4 substrate in order to prepare a... 

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...