Islamic Azad University at Maragheh
Maragheh, Iran
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Rostamnia S.,Islamic Azad University at Maragheh | Rahmani T.,Islamic Azad University at Maragheh
Applied Organometallic Chemistry | Year: 2015

The incorporation of sulfonate into mesoporous SBA-15 molecular sieves as ligands for palladium ions was used. Then SBA-15/PrSO3Pd and SBA-15/PrSO3PdNP were prepared and applied for the Heck arylation reaction of conjugate alkenes with aryl halides, to afford corresponding cross-coupling products under phosphine-free aerobic conditions with good to excellent yields. These supported palladium pre-catalysts could be separated easily from reaction products and reused several times, showing superiority over homogeneous catalysts for industrial and chemical applications. Copyright © 2015 John Wiley & Sons, Ltd.

Iranifam M.,Islamic Azad University at Maragheh
TrAC - Trends in Analytical Chemistry | Year: 2014

The current state of the art in chemiluminescence (CL) detection methods provides clinicians and researchers interested in oncology with efficient tools for early detection and accurate diagnosis of cancer. In this context, CL methods are powerful with the capability of detecting cancerous cells and cancer biomarkers, among other applications. Moreover, these methods can aid in increasing the survival chances of cancer patients undergoing chemotherapy and radiotherapy by sensitive monitoring of their progress when undergoing treatment. This article reviews the literature on the applications of CL methods in cancer detection and therapy (e.g., determination of circulating tumor cells, cancer biomarkers and anticancer drugs, and photodynamic therapy as a light-delivery system and dosimetry tool). © 2014 Elsevier B.V.

Eftekhari-Sis B.,Islamic Azad University at Maragheh | Zirak M.,Payame Noor University
Chemical Reviews | Year: 2015

Most heterocycles exhibit biological activity, including antitumor, anti-HIV, antibiotic, antidepressant, antiinflammatory, antiviral, antidiabetic, antimalarial, antimicrobial, antibacterial, antifungal, herbicidal, fungicidal, and insecticidal activities. Additionally, they have important applications in organic synthesis as organocatalysts, synthetic intermediates, chiral auxiliaries, and metal ligands in asymmetric catalysis. Therefore, the development of new efficient methods to synthesize heterocycles is of considerable interest. Pyrazole and pyrazoline derivatives have received great attention because of their interesting biological activities, such as antibacterial, antiviral, antidiabetic, antitubercular, antitumor, anti-inflammatory, and antidepressant activities.

Esrafili M.D.,Islamic Azad University at Maragheh
Journal of Molecular Modeling | Year: 2013

In this work, computations of density functional theory (DFT) were carried out to investigate the nature of interactions in solid 2,6-dibromo-4- nitroaniline (DBNA). This system was selected to mimic the hydrogen/halogen bonding found within crystal structures as well as within biological molecules. DFT (M06-2X/6-311++G**) calculations indicated that the binding energies for different of interactions lie in the range between -1.66 and -9.77 kcal mol-1. The quantum theory of atoms in molecules (QTAIM) was applied to provide more insight into the nature of these interactions. Symmetry-adapted perturbation theory (SAPT) analysis indicated that stability of the Br⋯Br halogen bonds is predicted to be attributable mainly to dispersion, while electrostatic forces, which have been widely believed to be responsible for these types of interactions, play a smaller role. Our results indicate that, for those nuclei participating in hydrogen/halogen bonding interactions, nuclear quadrupole resonance parameters exhibit considerable changes on going from the isolated molecule model to crystalline DBNA. [Figure not available: see fulltext.] © 2012 Springer-Verlag Berlin Heidelberg.

We demonstrate a method which directly grows large areas of graphene on carbon paper and glassy carbon (GC) substrates from graphite powder and anionic surfactant, sodium dodecyl sulfate, assisted electrochemical exfoliation. The electrochemically reduced graphene has been carefully characterized by scanning electron microscopy (SEM) and electrochemical techniques. Particularly, SEM images show enhanced growth of graphene structures formed of 'urchin' objects. The CV spectra illustrate that a variety of the oxygen-containing functional groups has been thoroughly removed from the graphite plane via electrochemical reduction. Potential peak (Ep) of graphene electrode in [Fe(CN) 6] 3-/4- solution is as small as 212 mV which is 168 mV smaller than that of graphite electrode. This could be attributed to the high quality graphene accelerating the electron transfer rate in [Fe(CN) 6] 3-/4- electrochemistry. Finally, platinum was electro reduced onto the GC and graphene modified GC based electrodes for use in methanol oxidation. The catalytic activities of graphene-supported Pt nanoparticles and Pt-GC electrocatalysts for methanol oxidation were 1900 and 915.5 A g -1 Pt, which can reveal the particular properties of the exfoliated graphene supports. © 2012 Published by Elsevier Ltd.

We report geometries, stabilization energies, symmetry adapted perturbation theory (SAPT) and quantum theory of atoms in molecules (QTAIM) analyses of a series of carbene-BX 3 complexes, where X=H, OH, NH 2, CH 3, CN, NC, F, Cl, and Br. The stabilization energies were calculated at HF, B3LYP, MP2, MP4 and CCSD(T)/aug-ccpVDZ levels of theory using optimized geometries of all the complexes obtained from B3LYP/aug-cc-pVTZ. Quantitatively, all the complexes indicate the presence of B-C carbene interaction due to the short B-C carbene distances. Inspection of stabilization energies reveals that the interaction energies increase in the order NH 2 > OH > CH 3 > F > H > Cl > Br > NC > CN, which is the opposite trend shown in the binding distances. Considering the SAPT results, it is found that electrostatic effects account for about 50% of the overall attraction of the studied complexes. By comparison, the induction components of these interactions represent about 40% of the total attractive forces. Despite falling in a region of charge depletion with δ 2 ρBCP >0, the B-C carbene bond critical points (BCPs) are characterized by a reasonably large value of the electron density ( ρBCP) and H BCP <0, indicating that the potential energy overcomes the kinetic energy density at BCP and the B-C carbene bond is a polar covalent bond. © Springer-Verlag 2011.

Eftekhari-Sis B.,Islamic Azad University at Maragheh | Zirak M.,Payame Noor University | Akbari A.,Islamic Azad University at Maragheh
Chemical Reviews | Year: 2013

Heterocycles are an extraordinarily important class of compounds, making up more than half of all known organic compounds. Heterocycles are present in a wide variety of drugs, most vitamins, many natural products, biomolecules, and biologically active compounds, including antitumor, antibiotic, anti-inflammatory, antidepressant, antimalarial, anti-HIV, antimicrobial, antibacterial, antifungal, antiviral, antidiabetic, herbicidal, fungicidal, and insecticidal agents. Phenylglyoxal (PG), the simplest AG, is a yellow liquid that polymerizes upon standing. Upon heating, the polymeric material cracks to give back the yellow aldehyde. PG is recrystallized in hot water to form a colorless crystalline hydrate. AGs possessing adjacent aldehyde and ketone functional groups with different reactivity show interesting chemical properties. Due to existence of an electron-withdrawing ketone group, the reactivity of the aldehyde of AG is greater than that of benzaldehyde, a simple aromatic aldehyde.

Iranifam M.,Islamic Azad University at Maragheh
Luminescence | Year: 2013

The state of the art in flow-chemiluminescence (flow-CL) technique for automated pharmaceutical analysis is reviewed. Flow-CL approaches have become powerful and promising tools for pharmaceutical screening in recent years due to their simplicity, low cost and high sensitivity. Because of these advantages, these methods have been widely used for pharmaceutical analysis in recent years. The literature reviewed covers papers of analytical interest that appeared between 2007 and mid-2012 and have been divided into several sections based on fundamental types of CL systems employed. Furthermore, entries have been summarized alphabetically in tabular form giving details of analytical figures of merit of the methods. Copyright © 2012 John Wiley & Sons, Ltd. Copyright © 2012 John Wiley & Sons, Ltd.

Esrafili M.D.,Islamic Azad University at Maragheh
Journal of Molecular Modeling | Year: 2012

A theoretical study was performed to examine hydrogen and halogen bonds properties in gas phase and crystalline dichloroacetic acid (DCAA). The specific pattern of O-H...O, C-H...O, HCl, Cl...O and Cl...Cl interactions in DCAA dimers is described within the quantum theory of atoms in molecules (QTAIM) formalism. Based on QTAIM results, a partial covalent character is attributed to the O-H...O hydrogen bonds in DCAA, whereas all the C-H...O, Cl···O and Cl...Cl intermolecular interactions are weak and basically electrostatic in nature. MP2/6-311++G** calculations indicate that the interaction energies for DCAA dimers lie in the range between -0.40 and -14.58 kcal mol-1. One of the most important results of this study is that, according to energy decomposition analyses, halogen bonds are largely dependent on both electrostatic and dispersion interactions. For those nuclei participating in the hydrogen-bonding and halogen-bonding interactions, nuclear quadrupole coupling constants exhibit significant changes on going from the isolated molecule model to the crystalline DCAA. Of course, the magnitude of these changes at each nucleus depends directly on its amount of contribution to the interactions. © Springer-Verlag 2012.

One focus of integrated pest management (IPM) is the use of biological and chemical control in an optimal way. The availability of selective pesticides is important as is information about both lethal and sublethal effects of pesticides on biocontrol agents. Acute and sublethal effects of imidacloprid and fenpyroximate exposure were studied on adult stage of egg parasitoid Trichogramma cacoeciae Marchal and the emergence rate and life table parameters were determined. The adult wasps were exposed to field recommended concentration (FRC) of the pesticides on glass plates. Field rates of imidacloprid and fenpyroximate caused 100 and 32% adult mortality, respectively. Based on concentration-response experiments, the LC50 values of imidacloprid and fenpyroximate were 6.25 and 1,949 ppm, respectively. The effect of imidacloprid and fenpyroximate on larvae, prepupae and pupae of the parasitoid was tested by exposing parasitized eggs of Sitotroga cerealella Olivier or Cydia pomonella L. to the FRC. Imidacloprid and fenpyroximate reduced adult emergence by 10.7 and 29%, respectively, when S. cerealella eggs were used as the host and 10.9 and 24.9%, respectively, when C. pomonella eggs were used as the host. Population parameters of emerged adults from treated pre-imaginal stages by FRC of the pesticides were also studied. The parameters were longevity and progeny production of emergent adults and also intrinsic rate of increase (r m ), generation time (T) and doubling time (DT). Longevity and progeny production of the emergent adults was not affected by pesticide exposure in comparison to the control. In addition, none of population parameters such as r m, T and DT were affected by pesticide exposure. The intrinsic rate of increase for the control, fenpyroximate and imidacloprid exposed populations were 0.388, 0.374, and 0.372 female offspring per female per day, respectively. Overall, results of this study suggest a relative compatibility between fenpyroximate and T. cacoeciae, but imidacloprid showed deleterious effects on adults of the parasitoid. © 2011 Springer Science+Business Media, LLC.

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