Sharif Digital Repository

An operationally simple, practical, and economical protocol for iron(III) chloride catalyzed Paal-Knorr pyrrole synthesis in water in good to excellent yields has been developed. Several N-substituted pyrroles are readily prepared from the reaction of 2,5-dimethoxytetrahydrofuran and aryl/alkyl, sulfonyl and acyl amines under very mild reaction conditions. © Georg Thieme Verlag Stuttgart  

The synthesis and structures of two new octadentate, Schiff-base calixpyrrole macrocycles are presented in which modifications at the meso-substituents (L1) or the aryl spacer between the two pyrrole-imine donor compartments (L2) are introduced. The outcomes of these changes are highlighted in the structures of binuclear Pacman complexes of these macrocycles, [M2(L1)] and [M2(L 2)]. Both palladium and cobalt complexes of the fluorenylmeso- substituted macrocycle H4L1 adopt rigid, but laterally twisted geometries with enclosed bimetallic microenvironments; a consequence of this spatial constraint is an exo-exo-bonding mode of pyridine in the dicobalt complex [Co2(py)2(L1)]. In contrast, the... 

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... 

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... 

(Chemical Equation Presented) New 2-alkyl-5-aryl-(1H)-pyrrole-4-ol derivatives were synthesized via three-component reaction of β-dicarbonyl compounds with arylglyoxals in the presence of ammonium acetate in water at room temperature. © 2008 American Chemical Society  

Pyrrole was electro-polymerized on the surface of the glassy carbon electrode (GCE) coated with a thin film of carbon nanomaterials, including carbon nanotubes (CNTs), carbon nanoparticles (CNPs), nanodiamond-graphite (NDG) or graphite nanopowder (GNP). Morphology, thickness, stability and loading of the polypyrrole (PPY) film were significantly affected by the structure and morphology of the sub-layer of carbon nanomaterials. Electrochemical oxidation of atorvastatin (ATOR) was investigated. Under the optimized conditions, a significant increase in the peak current (compared to other modified electrodes and bare GCE) and a negative shift in the peak potential (compared to bare GCE) were... 

(Chemical Equation Presented) New 2-aryl-4-chloro-3-hydroxy-1H-indole-5,7- dicarbaldehydes were synthesized in three steps from acetophenone derivatives. By oxidation of acetophenones to aryl glyoxals using selenium dioxide and condensation with acetylacetone in the presence of ammonium acetate in water 3-acetyl-5-aryl-4-hydroxy-2-methyl-1H-pyrrols were obtained. 2-Aryl-4-chloro-3-hydroxy-1H-indole-5,7-dicarbaldehydes were synthesized via Vilsmeier-Haack reaction of pyrrole derivatives in moderate yields  

By modifying the mouth of a macrocyclic dicobalt Pacman complex, it is possible to both isolate new bridging-superoxo and hydroxyl complexes and to tune the reactivity of this system towards catalytic four-electron reduction of dioxygen to water  

A novel method based on microextraction in packed syringe (MEPS) as sample preparation technique coupled off-line with gas chromatography-mass spectrometry was developed using electrospun nanofibers as sorbent. For electrospinning of polypyrrole/polyamide-based nanofiber, a homogeneous solution containing nylon 6, ferric chloride and pyrrole monomer was prepared and then was drawn into a 2.5-mL syringe. By applying a voltage of 13akV between the needle of the syringe and an aluminum-foil collector, the nanofibers could be formed on the surface of the collector. The prepared sheet was used as the sorbent for MEPS to analyze some selected organophosphorous pesticides. Important parameters... 

An extracting medium based on chitosan-polypyrrole (CS-PPy) magnetic nanocomposite was synthesized by chemical polymerization of pyrrole at the presence of chitosan magnetic nanoparticles (CS-MNPs) for micro-solid phase extraction. In this work, magnetic nanoparticles, the modified CS-MNPs and different types of CS-PPy magnetic nanocomposites were synthesized. Extraction efficiency of the CS-PPy magnetic nanocomposite was compared with the CS-MNPs and Fe3O4 nanoparticles for the determination of naproxen in aqueous samples, via quantification by spectrofluorimetry. The scanning electron microscopy images obtained from all the prepared nanocomposites revealed that the CS-PPy magnetic... 

In this paper, the pyrrolic nitrogen functional group's presence is investigated in the selective adsorption of CO2. The grand canonical Monte Carlo (GCMC), molecular dynamics (MD), and density functional theory (DFT) were used for this study's goal. GCMC was used to calculate adsorption isotherms, selectivity, and isosteric heats. MD was used to calculate the radial distribution function (RDF) and diffusion. Reactivity parameters, electrostatic potential (ESP), reduced density gradient (RDG), and independent gradient model (IGM) were calculated using DFT. Adsorption isotherms, selectivity, and isosteric heats demonstrated that the NH group caused the selective adsorption of CO2 among CH4,... 

The electrooxidation of clozapine (CLZ) was studied on the surface of a glassy carbon electrode (GCE) modified with a thin film of multiwalled carbon nanotubes (MWCNTs)/new coccine (NC) doped polypyrrole (PPY) by using linear sweep voltammetry (LSV). The pH of the supporting electrolyte (D), drop size of the cast MWCNTs suspension (E) and accumulation time of CLZ on the surface of modified electrode (F) was considered as effective experimental factors and the oxidation peak current of CLZ was selected as the response. By using factorial-based response-surface methodology, the optimum values of factors were obtained as 5.44, 10 μL and 300 s for D, E and F respectively. Under the optimized... 

A novel voltammetric sensor based on glassy carbon electrode (GCE) modified with a thin film of multi-walled carbon nanotubes (MWCNTs) coated with an electropolymerized layer of tiron-doped polypyrrole was developed and the resulting electrode was applied for the determination of acyclovir (ACV). The surface morphology and property of the modified electrode were characterized by field emission scanning electron microscopy and electrochemical impedance spectroscopy techniques. The electrochemical performance of the modified electrode was investigated by means of linear sweep voltammetry (LSV). The effect of several experimental variables, such as pH of the supporting electrolyte, drop size of... 

A novel method based on microextraction in packed syringe (MEPS), as a sample preparation technique in combination with gas chromatography-mass spectrometry (GC-MS) was developed using a polypyrrole (PPy) nanowires network as the extracting medium. The PPy nanowires network was prepared using a soft template technique and its characterization was studied by scanning electron microscopy (SEM). The use of micelles in this methodology has an important role in the shape of the growing polymer. The pyrrole monomer was introduced into cetyltrimethylammonium bromide (CTAB) micelles and this has led to the formation of nanowires with diameters ranging from 30 to 60 nm. The bulk PPy prepared without... 

Breast Cancer (BRCA) is the most common threat in women worldwide. Increasing death rate of diagnosed cases is the main leading cause of designing specific genosensors for BRCA − related cancer detection. In the present study, an ultrasensitive label − free electrochemical DNA (E − DNA) sensor based on conducting polymer/reduced graphene − oxide platform has been developed for the detection of BRCA1 gene. An electrochemical method was applied as a simple and controllable technique for the electrochemical reduction of graphene oxide and also, electro − polymerization of pyrrole − 3 − carboxylic acid monomer. The results of the present work show that the polymer − coated reduced graphene −... 

We have investigated the pathways of stability for NHCs derived from azole, di-azole, n-tetrazole, and ab-tetrazole (1a, 2a, 3a, and 4a, respectively), at the M06/6-311++G** level of theory. Optimization and vibrational frequency calculations of ground states (GS) and transition states (TS) are performed to identify Gibbs free energies and nature of stationary points, respectively. Two possible pathways of stability for 1a-4a are compared and contrasted which entail dimerization through hydrogen bonding (HB) and covalent bonding (CB). The CB pathway comprises head to head (HH) and head to tail (HT) dimerizations. Plausible reaction profiles are illustrated for 1a-4a along with the mechanism... 

In the present work, a new micro-solid phase extraction (μ-SPE) sorbent as an extracting medium based on core-shell nanofibers was synthesized by electrospinning. The core-shell nanofibers of polyvinylpyrrolidone-Polybutylene terephthalate/polypyrrole (PVP-PBT/PPy) were electrospun and subsequently, modified hollow nanofibers were prepared by removing the central PVP moiety. Moreover, conventional PBT/PPy was also prepared for the comparison purposes. The homogeneity and the porous surface structure of the core-shell nanofibers were confirmed by scanning electron microscopy (SEM). The applicability of the fabricated nanofibers-coating was examined by immersed μ-SPE of some selected triazine... 

A micro-SPE technique was developed by fabricating a rather small package including a polypropylene membrane shield containing the appropriate sorbent. The package was used for the extraction of some triazine herbicides from aqueous samples. Solvent desorption was subsequently performed in a microvial and an aliquot of extractant was injected into GC-MS. Various sorbents including aniline-ortho-phenylene diamine copolymer, newly synthesized, polypyrrole, multiwall carbon nanotube, C18 and charcoal were examined as extracting media. Among them, conductive polymers exhibited better performance. Influential parameters including extraction and desorption time, desorption solvent and the ionic...