Sharif Digital Repository

The potentiometric response characteristics with respect to salicylate anion of several membrane electrodes based on iron(II) tetraphenylporphyrin chloride (FeTPPCl) and derivatives with electrophilic and nucleophilic substituents, incorporated into plasticized polyvinylchloride (PVC) membranes were investigated. Complexes tetraphenyl porphyrin iron(III) chloride (FeTPPCl; A), tetrakis (4-methoxyphenyl) porphyrin iron(III) chloride (Fe(TOCH 3PP)Cl; B), tetrakis (2,6-dichlorophenyl) porphyrin iron(III) chloride (Fe(TDClPP)Cl; C), tetrakis (4-nitrophenyl) porphyrin iron(III) chloride (Fe(TNO2PP)Cl; D), and tetrakis (pentafluorophenyl) porphyrin iron(III) chloride (Fe(TPFPP)Cl; E) were used as... 

The reactions of different dithiocarbamate anions with epoxides were investigated in water. With this method, β-hydroxy dithiocarbamate derivatives were synthesized in high yields. The reaction was also carried out in DMF in the presence of lithium perchlorate with a simple work-up procedure, and the results are compared  

Electrospray ionization of 2,6-naphthalenedicarboxylic acid readily affords its doubly deprotonated dicarboxylate dianion (1 2-). This species clusters with background water and added alcohols in an ion trap at ∼10-3 Torr. Sequential solvation is observed to afford mono and dicoordinated ions. Surprisingly, the latter cluster (1 2- • 2TFE) is protonated by 2,2,2-trifluoroethanol (TFE) whereas 1 2-and 1 2- • TFE are not even though δHacid(TFE)=361.7±2.5kcalmol-1 (as given in the NIST website at http://webbook.nist.gov) and the B3LYP/6-31+G(d,p) proton affinities are 384.7 (1 2-), 377.6 (1 2- • TFE), and 362.7 (1 2- • 2TFE) kcal mol-1. That is, only the weakest base in this series, and the... 

Electrospray ionization of 2,6-naphthalenedicarboxylic acid readily affords its doubly deprotonated dicarboxylate dianion (12−). This species clusters with background water and added alcohols in an ion trap at ∼10−3 Torr. Sequential solvation is observed to afford mono and dicoordinated ions. Surprisingly, the latter cluster (12−• 2TFE) is protonated by 2,2,2-trifluoroethanol (TFE) whereas 12−and 12−• TFE are not even though ΔH°acid(TFE) = 361.7 ± 2.5 kcal mol−1 (as given in the NIST website at http://webbook.nist.gov) and the B3LYP/6-31+G(d,p) proton affinities are 384.7 (12−), 377.6 (12−• TFE), and 362.7 (12−• 2TFE) kcal mol−1. That is, only the weakest base in this series, and the dianion... 

Fibrous biomaterials have received much attention in tissue engineering and regenerative medicine due to their morphology, resembling extracellular matrix. In comparison to synthetic fibers, cellulose based fibers have interesting properties for cellular applications such as biodegradability, biocompatibility, simple preparation and their potential for chemical modification. Among cellulose derivatives, carboxymethyl cellulose and quaternized cellulose are the most important and valuable cellulose ethers which have anionic and cationic surface charge. In this research, we report the fabrication of multifunctional cellulose microfibrous and nanofibrous scaffolds and the comparison of adhesion... 

Although the capability of using sulfate anion as a wettability modiffier is well established, no systematic investigation on the effect of sulfate ions and natural surfactants in the crude oil including asphaltene and resin on the interfacial tension (IFT) of acidic crude oil (ACO)/sulfate were performed. In this regards, the fluid/fluid interactions are tested through the IFT measurements for ACO, asphaltene and resin extracted from ACO in the presence of sulfate salts including Na2SO4, MgSO4 and CaSO4 while the concentration of each salt ranges between 0 and 45000 ppm. The obtained results demonstrate that the capability of asphaltene molecules is higher for IFT reduction compared with... 

In this study, ionic liquids formed between 1-ethyl-3-methylimidazolium cation ([emim]+) and alkyltrifluoroborate ([RBF3]-, R = n-CmH2m+1 (m = 1-5)) anions have been investigated theoretically. The interactions between the cation and anions have also been calculated at the MP2/6-311++G(d,p)//B3LYP/6-311++G(d,p) level of theory. The calculated interaction energies were found to decrease in magnitude with the increase of side-chain length in anions. The results of energy decomposition analysis (EDA) show that the interaction of these anions with [emim]+ cation is electrostatic in the nature and the side chain length in the anions has an important effect on the contribution of ΔEelect term. The... 

The relative stabilities and noncovalent interactions of the six low-lying energy tautomers of cytosine nucleobase with some biological anions (such as F-, Cl-, and CN-) have been investigated in gas phase by density functional theory (DFT) method in conjunction with 6-311++G (d,p) atomic basis set. Furthermore, to systematically investigate all possible tautomerisms from cytosine induced by proton transfer, we describe a study of structural tautomer interconversion in the gas phase and in a continuum solvent using DFT calculation. We carried out geometrical optimizations with the integral equation formalism of polarizable continuum (IEF-PCM) model to account for the solvent effect, and the... 

The noncovalent interactions between cytosine nucleobase with some biological anions such as F-, Cl-, CN-, NO3-, SO42 - and OH- and cytosine nucleosides (i.e., cytidine and deoxycytidine molecules) with F-, Cl-, CN- anions have been demonstrated by DFT study. The molecular geometries, energy properties, H-bonding patterns, dipole moments and charge distribution of these complexes were investigated with the B3LYP method in conjunction with the 6-311++G(d,p) basis set. It has been found that anions can interact with cytosine nucleobase forming hydrogen bonds. In general, these interactions occur via N-H, O-H and C-H substituents of cytosine, cytidine and deoxycytidine. The presence of anions... 

Impure rhenium and molybdenum bearing solution was passed through a column of Varian strong base anionic resin for selective adsorption of rhenium and molybdenum ions from the solution. Elution of molybdenum and rhenium was carried out using 2 N NaOH and 0.2 N NH4SCN, respectively. The effect of resin bed height on breakthrough time was investigated. Experimental and theoretical curves were compared with good agreement. The results showed that the behavior pattern of these curves was repeatable and almost constant. © 2006 Elsevier B.V. All rights reserved  

Different strategies are employed in designing strong and selective anion receptors but stereoelectronic effects have been largely ignored. In this work, the stereo configuration of a non-interacting ether is found to have a large impact of more than two orders of magnitude on the binding of a rigid diol with tetrabutylammonium chloride in acetonitrile-d3. A favorable carbon-oxygen dipole and an intramolecular C-H⋯OH hydrogen bond in an equatorially substituted ether is found to be energetically more important than a stabilizing hydrogen bond in the corresponding axially oriented alcohol. IR spectroscopy is also used to probe the structures of the bound complexes and several binding motifs... 

A series of nanohybrids using ZIF-8 in the presence of chitosan (CS) at various compositions (0.5–15 wt%) were synthesized. Thorough characterization exhibited that the morphology of the nanoparticles in terms of surface charge, particle size, specific surface area, and pore volume is significantly dominated by the CS content in the hybrid nanoparticles. Amongst the nanoparticles synthesized, a hybrid nanoparticle containing 2 wt% CS, named CS-ZIF-2, represented the largest positive zeta potential and smallest particle size. Moreover, adsorption experiments indicated that CS-ZIF-2 had considerable adsorption capacity against anionic dye (Congo Red, CR) compared with the individual ZIF-8 and... 

Computer-assisted methods were employed to develop a statistical relationship between molecular-based structural parameters and log critical micelle concentration (CMC) of some anionic surfactants. The CMC of 31 alkyl sulfates and alkanesulfonates were used for model generation. Among different models, two equations were selected as the best, and their specifications are given. The statistics of these models together with cross-validation results indicate the capability of both models to predict the CMC of anionic surfactants. Three descriptors of Wiener number, reciprocal of the dipole moment, and reciprocal of the Randic index appear in the models. Results indicate that topological... 

Uranium (VI) sorption using an anionic exchanger resin, namely Amberlite IRA910, in the presence of sulfate anions was the subject of current study. Batch sorption experiments were carried out to evaluate the influence of operational parameters such as pH, contact time, initial concentration and existence of various anions (including phosphate, sulfate, chloride, fluoride, and nitrate) in the solution on Amberlite IRA910 sorption behavior. Experiments revealed that uranium adsorption was fulfiled at pH>3 and 50 min to amount of 80%. Kinetics study revealed that the pseudo-second-order model showed better curve-fitting regression of the experimental data than the pseudo-first-order one.... 

Continuous fixed-bed column studies were carried out by using Amberlite CG-400 anion exchange resin for the recovery of uranium from aqueous solutions (synthetic solutions and uranium conversion facility (UCF) liquid waste). Effects of operating parameters such as flow rate and bed height were studied. The breakthrough capacity decreases with increasing flow rate, but this dependence was not significant with a long column. The maximum breakthrough capacity of uranium ions were achieved by CG-400 resin at a flow rate of 0.2 mL min-1 and bed height 9.1 cm (4 g resin). The elution behavior of uranium from CG-400 resin by various eluents have been investigated and the results show that 0.5 mol... 

In this paper, the sorption of uranium onto nanoporous silica adsorbent in the presence of nitrate, sulfate, chloride, fluoride and phosphate was studied. The effect of contact time between the nanoporous sorbent and aqueous solution, pH and initial concentration of uranium was also investigated. Uranium sorption onto nanoporous silica adsorbent is a very fast process as sorption rate increases with pH increment. Optimum pH for uranium sorption was 4-8. Experimental sorption isotherm is successfully described by Langmuir and Freundlich models. The results obtained by batch experiments showed that the presence of high concentration of nitrate, sulfate, chloride and phosphate anions alone had... 

In this paper, uranium sorption onto amberlite CG-400 anion exchange resin in the presence of phosphate anions was studied. The effect of contact time between the sorbent and aqueous solution, pH, initial concentration of uranium and temperature were also investigated. Kinetic studies show that uranium sorption onto amberlite CG-400 resin in the presence of phosphate is a fast process and follows pesudo-second-order kinetics. It was also found that the pH value and the presence of phosphate play very important roles in the uranium sorption onto CG-400 resin. Optimum pH for uranium sorption in the presence of phosphate anions was about 3.5. The experimental sorption isotherm is successfully... 

Yttrium Iron Garnet (YIG) powders were synthesized by a sol-gel auto-combustion method using cationic and anionic surfactants with different values and different calcination times and temperatures. The final products were characterized by DTA/TG, XRD, TEM and VSM techniques. The results showed a decrease in calcination temperature and crystallite size in the presence of a cationic surfactant, while no significant effect was observed using an anionic surfactant. Magnetic properties of YIG powders were improved as an optimum value of cationic surfactant was used