Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Study of Fabrication of MgO Nanoparticles by Solid-State Reaction and Ion Exchange Methods in ZSM-5 Matrix Synthesized from Rice Husk AshStudy of Fabrication of MgO Nanoparticles by Solid-State Reaction and Ion Exchange Methods in ZSM-5 Matrix Synthesized from Rice Husk Ash1931238FAFatemeh AsadiDepartment of Chemistry, Rasht Branch, Islamic Azad University, Rasht, I.R. IRANAfshin PourahmadDepartment of Chemistry, Rasht Branch, Islamic Azad University, Rasht, I.R. IRANJournal Article20180104<em>The fabrication and characterization of ZSM-5 zeolite using rice husk ash as an alternative cheap silica source is reported. Rice husk, combusted at 700 ºC for the production of amorphous silica, has been used for the preparation of RHA-ZSM-5 zeolite.</em><em>MgO nanoparticles </em><em>were synthesized in the RHA-ZSM-5 matrix with a solid-state reaction method and calcined at 300°C. The samples were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, Transmission electron microscopy, and scanning</em><em> electron microscopy. XRD results revealed diffraction peaks for each of the two compounds in the nanocomposite. In the FT-IR spectra,</em><em> all bands in the nanocomposite sample show a shift concerning that of the matrix, indicating that the MgO is incorporated in the matrix. Transmission electron microscopy images showed small particles belong to MgO nanoparticles with a maximum diameter of 26 nm.</em><em>The fabrication and characterization of ZSM-5 zeolite using rice husk ash as an alternative cheap silica source is reported. Rice husk, combusted at 700 ºC for the production of amorphous silica, has been used for the preparation of RHA-ZSM-5 zeolite.</em><em>MgO nanoparticles </em><em>were synthesized in the RHA-ZSM-5 matrix with a solid-state reaction method and calcined at 300°C. The samples were characterized by X-ray diffraction, Fourier transform infrared spectroscopy, Transmission electron microscopy, and scanning</em><em> electron microscopy. XRD results revealed diffraction peaks for each of the two compounds in the nanocomposite. In the FT-IR spectra,</em><em> all bands in the nanocomposite sample show a shift concerning that of the matrix, indicating that the MgO is incorporated in the matrix. Transmission electron microscopy images showed small particles belong to MgO nanoparticles with a maximum diameter of 26 nm.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Synthesis of Solid Lipid Nanoparticles and Cryoprotectant Effect on Their Size StabilizationSynthesis of Solid Lipid Nanoparticles and Cryoprotectant Effect on Their Size Stabilization111831231FAParvaneh PakravanDepartment of Chemistry, Zanjan Branch, Islamic Azad University, Zanjan, I.R. IRANJournal Article20171222<em>Solid lipid nanoparticles form colloidal drug carrier systems, which are alternative carrier systems to traditional colloidal carriers, such as emulsions, liposomes, and, polymeric micro and nanoparticles. Solid lipid nanoparticles are typically spherical with an average diameter between 1 and 1000 nm, which are dispersed in the water or the aqueous surfactant. Various techniques are used to synthesize these nanoparticles. A variety of methods can be applied to loading different drugs, ranging from hydrophobic to hydrophilic, into lipid nanoparticles. These nanoparticles are used as suitable carriers for drug delivery. However, the physicochemical stability of lipid nanoparticles is one of the major goals for long-term use </em><em>in the pharmaceutical industry. In this study, the investigations in the presence and absence </em><em>of cryoprotectants have been considered for the stabilization of the lipid nanoparticles. </em><em>Studies have shown</em><em> that 1% concentration of sucrose results in the stability of nanoparticles size after nine months. Also, laboratory release studies revealed no change in release profiles of stabilized lipid nanoparticles.</em><em>Solid lipid nanoparticles form colloidal drug carrier systems, which are alternative carrier systems to traditional colloidal carriers, such as emulsions, liposomes, and, polymeric micro and nanoparticles. Solid lipid nanoparticles are typically spherical with an average diameter between 1 and 1000 nm, which are dispersed in the water or the aqueous surfactant. Various techniques are used to synthesize these nanoparticles. A variety of methods can be applied to loading different drugs, ranging from hydrophobic to hydrophilic, into lipid nanoparticles. These nanoparticles are used as suitable carriers for drug delivery. However, the physicochemical stability of lipid nanoparticles is one of the major goals for long-term use </em><em>in the pharmaceutical industry. In this study, the investigations in the presence and absence </em><em>of cryoprotectants have been considered for the stabilization of the lipid nanoparticles. </em><em>Studies have shown</em><em> that 1% concentration of sucrose results in the stability of nanoparticles size after nine months. Also, laboratory release studies revealed no change in release profiles of stabilized lipid nanoparticles.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Cu-Cr-O and Cu-Cr-O, Zn-Cr-O Nano-Composites: Synthesis and Study of Different Parameters on the Composition and Morphology of ThemCu-Cr-O and Cu-Cr-O, Zn-Cr-O Nano-Composites: Synthesis and Study of Different Parameters on the Composition and Morphology of Them192831236FAMoslem SetoodehkhahDepartment of Inorganic Chemistry, Faculty of Chemistry, University of Kashan, Kashan, I.R. IRANAhad ZareDepartment of Chemistry, Marvdasht branch, Islamic Azad University, Marvdasht, I.R. IRANMaryam TootoonchiDepartment of Chemistry, Marvdasht branch, Islamic Azad University, Marvdasht, I.R. IRANJournal Article20171230<em>In this research, the synthesis of Cu-Cr-O and Cu-Cr-O.Zn-Cr-O nano-composite was done by the co-precipitation method at pH=9. The effect of some materials such as Al(NO<sub>3</sub>)<sub>3</sub>.9H<sub>2</sub>O and Zn(NO<sub>3</sub>)<sub>2</sub>, two polymeric surfactants, PEG-400 and PEG-600, and different calcination conditions of precursor on the structure, crystal phase, and morphology of nanocomposite was investigated. All samples were characterized by X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM) and Energy-Dispersive X-ray (EDX) spectroscopy analysis. According to the results of XRD, the structure of nano-composite is a function of the salts used as reactants and surfactants. When the salts used are Cu(NO<sub>3</sub>)<sub>2</sub>.3H<sub>2</sub>O and (NH<sub>4</sub>)<sub>2</sub>Cr<sub>2</sub>O<sub>7</sub> in the absence of surfactants, the nano-composite is composed of CuO and CuCr<sub>2</sub>O<sub>4</sub>. While, within the presence of PEG-400 and PEG-600, the nano-composite consists of CuO and CuCr<sub>2</sub>O<sub>4</sub>, in addition, a small amount of Cu<sub>2</sub>Cr<sub>2</sub>O<sub>4</sub> is also found. The presence of Cu<sub>2</sub>Cr<sub>2</sub>O<sub>4</sub> can be due to the reduction of some Cu<sup>2+</sup> ion to Cu<sup>+</sup> in spinel in the presence of a little remaining surfactant. When Zn(NO<sub>3</sub>)<sub>2</sub> is added to the reactants the nano-composite is composed of CuCr<sub>2</sub>O<sub>4</sub> and ZnCr<sub>2</sub>O<sub>4</sub> spinels and CuO is not seen in the crystal structure of nano-composite. Adding of Al(NO<sub>3</sub>)<sub>3</sub>.9H<sub>2</sub>O to the reactants will cause Al<sub>2</sub>O<sub>3</sub> to enter the structure of the nano-composite. CuAl<sub>2</sub>O<sub>4</sub> doesn’t form here because the CuAl<sub>2</sub>O<sub>4</sub> (which contains Al<sup>3+</sup> (d<sup>0</sup>) ions) is less sustainable than CuCr<sub>2</sub>O<sub>4</sub> based on Crystal Field Stabilization Energy (CFST). SEM images of nano-composites revealed that different calcination conditions and calcination temperature and surfactants affect the morphology and uniformity and the sizes of nano-composites. The best nano-composite according to the uniformity of morphology and small particle size is formed when the reactants are Cu(NO<sub>3</sub>)<sub>2</sub>.3H<sub>2</sub>O, (NH<sub>4</sub>)<sub>2</sub>Cr<sub>2</sub>O<sub>7,</sub> and Zn(NO<sub>3</sub>)<sub>2</sub>. and the precursor is calcined 2h at 400˚C and 2h at 600˚C. The morphology of the Nano-composite is almost like a small nano-sheet with a thickness of about 15 nm.</em><em>In this research, the synthesis of Cu-Cr-O and Cu-Cr-O.Zn-Cr-O nano-composite was done by the co-precipitation method at pH=9. The effect of some materials such as Al(NO<sub>3</sub>)<sub>3</sub>.9H<sub>2</sub>O and Zn(NO<sub>3</sub>)<sub>2</sub>, two polymeric surfactants, PEG-400 and PEG-600, and different calcination conditions of precursor on the structure, crystal phase, and morphology of nanocomposite was investigated. All samples were characterized by X-Ray Diffraction (XRD), Scanning Electron Microscopy (SEM) and Energy-Dispersive X-ray (EDX) spectroscopy analysis. According to the results of XRD, the structure of nano-composite is a function of the salts used as reactants and surfactants. When the salts used are Cu(NO<sub>3</sub>)<sub>2</sub>.3H<sub>2</sub>O and (NH<sub>4</sub>)<sub>2</sub>Cr<sub>2</sub>O<sub>7</sub> in the absence of surfactants, the nano-composite is composed of CuO and CuCr<sub>2</sub>O<sub>4</sub>. While, within the presence of PEG-400 and PEG-600, the nano-composite consists of CuO and CuCr<sub>2</sub>O<sub>4</sub>, in addition, a small amount of Cu<sub>2</sub>Cr<sub>2</sub>O<sub>4</sub> is also found. The presence of Cu<sub>2</sub>Cr<sub>2</sub>O<sub>4</sub> can be due to the reduction of some Cu<sup>2+</sup> ion to Cu<sup>+</sup> in spinel in the presence of a little remaining surfactant. When Zn(NO<sub>3</sub>)<sub>2</sub> is added to the reactants the nano-composite is composed of CuCr<sub>2</sub>O<sub>4</sub> and ZnCr<sub>2</sub>O<sub>4</sub> spinels and CuO is not seen in the crystal structure of nano-composite. Adding of Al(NO<sub>3</sub>)<sub>3</sub>.9H<sub>2</sub>O to the reactants will cause Al<sub>2</sub>O<sub>3</sub> to enter the structure of the nano-composite. CuAl<sub>2</sub>O<sub>4</sub> doesn’t form here because the CuAl<sub>2</sub>O<sub>4</sub> (which contains Al<sup>3+</sup> (d<sup>0</sup>) ions) is less sustainable than CuCr<sub>2</sub>O<sub>4</sub> based on Crystal Field Stabilization Energy (CFST). SEM images of nano-composites revealed that different calcination conditions and calcination temperature and surfactants affect the morphology and uniformity and the sizes of nano-composites. The best nano-composite according to the uniformity of morphology and small particle size is formed when the reactants are Cu(NO<sub>3</sub>)<sub>2</sub>.3H<sub>2</sub>O, (NH<sub>4</sub>)<sub>2</sub>Cr<sub>2</sub>O<sub>7,</sub> and Zn(NO<sub>3</sub>)<sub>2</sub>. and the precursor is calcined 2h at 400˚C and 2h at 600˚C. The morphology of the Nano-composite is almost like a small nano-sheet with a thickness of about 15 nm.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Synthesis and Characterization of a Novel and Recyclable Palladium N-Heterocyclic Carbene Pyrimidine Nanocatalyst on a Periodic Mesoporous Organosilica and Its Performance Investigation in the Suzuki-Miyaura ReactionSynthesis and Characterization of a Novel and Recyclable Palladium N-Heterocyclic Carbene Pyrimidine Nanocatalyst on a Periodic Mesoporous Organosilica and Its Performance Investigation in the Suzuki-Miyaura Reaction293831056FAFatemeh RajabiDepartment of Chemistry, Payame Noor University, PO BOX 19395-3697, Tehran, I.R. IRAN0000-0001-9759-9109Abolfazl OlyaeiDepartment of Chemistry, Payame Noor University, PO BOX 19395-3697, Tehran, I.R. IRANJournal Article20180225<em>In this study, N-heterocyclic carbene palladium complex containing pyrimidine supported on a periodic mesoporous organosilica</em><em> (Pd-Pym-NHC@PMO) was synthesized </em><em>from 2-aminopyrimidine in four reaction steps. Structure and Physico-chemical properties of </em><em>Pd-Pym-NHC@PMO</em><em> was characterized by different techniques of spectroscopic analysis such as </em><em>XRD,</em><em> CP-MAS-NMR, AAS, TGA, and </em><em>BET porosimetry. After full characterization, its catalytic activity in the synthesis of biaryls via the Suzuki–Miyaura cross-coupling was evaluated under the different conditions such as solvent, temperature, and the molar ratio of the reactants. It was observed that the nanocatalyst</em><em> Pd-Pym-NHC@PMO</em><em> exhibited excellent activity. Furthermore, the nanocatalyst can be reused and handled at least eight consecutive without any loss of catalytic activity. The present work is a novel, very mild and environmentally friendly method.</em><em>In this study, N-heterocyclic carbene palladium complex containing pyrimidine supported on a periodic mesoporous organosilica</em><em> (Pd-Pym-NHC@PMO) was synthesized </em><em>from 2-aminopyrimidine in four reaction steps. Structure and Physico-chemical properties of </em><em>Pd-Pym-NHC@PMO</em><em> was characterized by different techniques of spectroscopic analysis such as </em><em>XRD,</em><em> CP-MAS-NMR, AAS, TGA, and </em><em>BET porosimetry. After full characterization, its catalytic activity in the synthesis of biaryls via the Suzuki–Miyaura cross-coupling was evaluated under the different conditions such as solvent, temperature, and the molar ratio of the reactants. It was observed that the nanocatalyst</em><em> Pd-Pym-NHC@PMO</em><em> exhibited excellent activity. Furthermore, the nanocatalyst can be reused and handled at least eight consecutive without any loss of catalytic activity. The present work is a novel, very mild and environmentally friendly method.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Stepwise Thiourea-Based Tungsten Oxide Supported Graphitic Carbon Nitride Preparation: Study of Sulfur-Doped Bulk and Nanosheets g-C3N4/WO3 in Photo Oxidation Degradation of Methylene-Blue Pollution Using Visible Light RadiationStepwise Thiourea-Based Tungsten Oxide Supported Graphitic Carbon Nitride Preparation: Study of Sulfur-Doped Bulk and Nanosheets g-C3N4/WO3 in Photo Oxidation Degradation of Methylene-Blue Pollution Using Visible Light Radiation394931736FAHamed MohtashamOrganic and Nano Group, Department of Chemistry, Faculty of Science, University of Maragheh, Maragheh, IranSiavash SarmastiOrganic and Nano Group (ONG), Department of Chemistry, Faculty of Science, University of Maragheh, Maragheh, I.R. IRANُSadegh RostamniaOrganic and Nano Group (ONG), Department of Chemistry, Faculty of Science, University of Maragheh, Maragheh, I.R. IRAN0000-0001-6310-8754Journal Article20180118<em>Taguchi model is a model for the analysis of experiments, that predicts both the effects of each factor and the optimum level of them using a certain number of experiments. </em><em>The purpose of this study was the optimization of </em><em>Cd(II) ions </em><em>adsorption on the cobalt oxide using the Taguchi model. The characterization of synthesized cobalt oxide was investigated by Scanning </em><em>Electron Microscope (SEM), Transmission Electron Microscope (TEM), Fourier Transfer InfraRed (FT-IR)</em><em> spectrometry and X-Ray Diffraction (XRD). In this experimental study, the cobalt oxide </em><em>was prepared in a few steps. Then, 4 main factors (i.e. temperature, amount of absorption, contact time, </em><em>and pH) on 4 levels were selected by Matrix L<sub>25</sub> trials and the experiments were conducted in this matrix. Finally, the adsorption of Cd(II) on cobalt oxide was determined in optimal </em><em>conditions. The optimization of the adsorption process using the Taguchi model showed that the factors</em><em> of </em><em>importance for optimizing respectively were: contact time of 20 minutes, pH =8, temperature=15 °C</em><em>and adsorbent dosages of 25 mg. The maximum adsorption in optimal conditions was determined 96/21.</em><em>Taguchi model is a model for the analysis of experiments, that predicts both the effects of each factor and the optimum level of them using a certain number of experiments. </em><em>The purpose of this study was the optimization of </em><em>Cd(II) ions </em><em>adsorption on the cobalt oxide using the Taguchi model. The characterization of synthesized cobalt oxide was investigated by Scanning </em><em>Electron Microscope (SEM), Transmission Electron Microscope (TEM), Fourier Transfer InfraRed (FT-IR)</em><em> spectrometry and X-Ray Diffraction (XRD). In this experimental study, the cobalt oxide </em><em>was prepared in a few steps. Then, 4 main factors (i.e. temperature, amount of absorption, contact time, </em><em>and pH) on 4 levels were selected by Matrix L<sub>25</sub> trials and the experiments were conducted in this matrix. Finally, the adsorption of Cd(II) on cobalt oxide was determined in optimal </em><em>conditions. The optimization of the adsorption process using the Taguchi model showed that the factors</em><em> of </em><em>importance for optimizing respectively were: contact time of 20 minutes, pH =8, temperature=15 °C</em><em>and adsorbent dosages of 25 mg. The maximum adsorption in optimal conditions was determined 96/21.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Metal-Free Graphene Quantum Dots Catalyzed Reduction of Aromatic Nitro Compounds in the Presence of LED LightMetal-Free Graphene Quantum Dots Catalyzed Reduction of Aromatic Nitro Compounds in the Presence of LED Light515928577FAMohammad GholinejadDepartment of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS), P.O. Box 45137-6731 Zanjan, I.R. IRANMohammad SeyedhamzehDepartment of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS), P.O. Box 45137-6731 Zanjan, I.R. IRANMohsen Kompany‐ZarehDepartment of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS),
P.O. Box 45137-6731 Zanjan, I.R. IRANFoad KazemiDepartment of Chemistry, Institute for Advanced Studies in Basic Sciences (IASBS),
P.O. Box 45137-6731 Zanjan, I.R. IRANJournal Article20170619<em>In this study, for the first time, Graphene Quantum Dots (QGD) was used as a green catalyst for the reduction of aromatic nitro compounds under the Light-Emitting Diode (LED) and metal-free conditions. Prepared graphene quantum dots were characterized using different </em><em>techniques such as Transmission Electron Microscopy (TEM), X-ray Photoelectron Spectroscopy (XPS),</em><em> and absorption and emission spectroscopy. Using graphene quantum dots, structurally different aromatic nitro compounds were reduced to corresponding amines at room temperature and gave corresponding amines at high to excellent yields. Finally, the kinetic reduction reaction of different substitutions nitrobenzene (ortho, meta, and para) and the effect of substitution on rate were studied</em><em>.</em><em>In this study, for the first time, Graphene Quantum Dots (QGD) was used as a green catalyst for the reduction of aromatic nitro compounds under the Light-Emitting Diode (LED) and metal-free conditions. Prepared graphene quantum dots were characterized using different </em><em>techniques such as Transmission Electron Microscopy (TEM), X-ray Photoelectron Spectroscopy (XPS),</em><em> and absorption and emission spectroscopy. Using graphene quantum dots, structurally different aromatic nitro compounds were reduced to corresponding amines at room temperature and gave corresponding amines at high to excellent yields. Finally, the kinetic reduction reaction of different substitutions nitrobenzene (ortho, meta, and para) and the effect of substitution on rate were studied</em><em>.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Epoxidation Reactions Using Mesoporous SBA-15 Supported Mn(II)-Substituted Polyoxophosphomolybdate as CatalystEpoxidation Reactions Using Mesoporous SBA-15 Supported Mn(II)-Substituted Polyoxophosphomolybdate as Catalyst596731057FAMaryam ZareDepartment of Basic Sciences, Golpayegan University of Technology, P.O. Box 8771765651, Golpayegan, I.R. IRANZeinab Moradi ShoeiliDepartment of Chemistry, Faculty of Sciences, University of Guilan, Rasht, I.R. IRANJournal Article20180101<em>Nanoscale catalyst SBA-POM was successfully synthesized by covalent bonding of polyoxomolybdate [PMnMo<sub>11</sub>O<sub>39</sub>]<sup>5</sup><sup>‒</sup> on the amino-functionalized SBA-15. The mesoporous nanomaterials, SBA-POM were characterized by a series of characterization techniques such as FT–IR, XRD, SEM, and EDX. The synthesized nanocatalyst was employed for olefins epoxidation which showed efficient reactivity with high yield and selectivity for the products, in most cases. In addition, the prepared heterogeneous nanocomposite was chemically stable and can be efficiently reused for at least five cycles without a significant loss in catalytic activity. Leaching tests and metal analysis of reaction solutions show that the catalytic activity stemmed from the immobilized species, not from the leaching of active species into solution.</em><em>Nanoscale catalyst SBA-POM was successfully synthesized by covalent bonding of polyoxomolybdate [PMnMo<sub>11</sub>O<sub>39</sub>]<sup>5</sup><sup>‒</sup> on the amino-functionalized SBA-15. The mesoporous nanomaterials, SBA-POM were characterized by a series of characterization techniques such as FT–IR, XRD, SEM, and EDX. The synthesized nanocatalyst was employed for olefins epoxidation which showed efficient reactivity with high yield and selectivity for the products, in most cases. In addition, the prepared heterogeneous nanocomposite was chemically stable and can be efficiently reused for at least five cycles without a significant loss in catalytic activity. Leaching tests and metal analysis of reaction solutions show that the catalytic activity stemmed from the immobilized species, not from the leaching of active species into solution.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823One-Pot Synthesis of Tetrahydrochromenochromene Diones Catalyzed by 3-carboxy-1-sulfopyridinium ChlorideOne-Pot Synthesis of Tetrahydrochromenochromene Diones Catalyzed by 3-carboxy-1-sulfopyridinium Chloride697631167FAMasoud MokhtaryDepartment of Chemistry, Rasht Branch, Islamic Azad University, Rasht, I.R. IRAN0000-0002-3568-8373Mohammad NikpassandDepartment of Chemistry, Rasht Branch, Islamic Azad University, Rasht, I.R. IRANJournal Article20171230<em>The development of new methods for the efficient preparation of heterocyclic compounds is an important issue in</em><em> the synthesis of organic compounds in chemistry. Chromene derivatives play a considerable role in the synthesis of pharmaceutical compounds as a significant structural component in active and natural biological compounds. In this research, </em><em>3-carboxy-1-sulfopyridinium chloride ([NA-SO<sub>3</sub>H]<sup>+</sup>Cl<sup>-</sup>) was evaluated as a recoverable catalyst for the one-pot synthesis of dihydrochromenochromene derivatives by reaction of aryl aldehydes, 1,3-cyclohexanediones, and hydroxycoumarines in good to excellent yields in ethanol at 70 °C. The </em><em>[NA-SO<sub>3</sub>H]<sup>+</sup>Cl<sup>-</sup></em><em> could be recycled several times without significant loss of its catalytic activity. Clean methodologies, easy work-up procedures, high yield, and simple preparation of the catalyst are some advantages of this procedure. All products were characterized by spectral data and </em><em>by comparison with authentic samples reported in the literature.</em><em>The development of new methods for the efficient preparation of heterocyclic compounds is an important issue in</em><em> the synthesis of organic compounds in chemistry. Chromene derivatives play a considerable role in the synthesis of pharmaceutical compounds as a significant structural component in active and natural biological compounds. In this research, </em><em>3-carboxy-1-sulfopyridinium chloride ([NA-SO<sub>3</sub>H]<sup>+</sup>Cl<sup>-</sup>) was evaluated as a recoverable catalyst for the one-pot synthesis of dihydrochromenochromene derivatives by reaction of aryl aldehydes, 1,3-cyclohexanediones, and hydroxycoumarines in good to excellent yields in ethanol at 70 °C. The </em><em>[NA-SO<sub>3</sub>H]<sup>+</sup>Cl<sup>-</sup></em><em> could be recycled several times without significant loss of its catalytic activity. Clean methodologies, easy work-up procedures, high yield, and simple preparation of the catalyst are some advantages of this procedure. All products were characterized by spectral data and </em><em>by comparison with authentic samples reported in the literature.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Synthesis of New Polyamine Ligands Using Vinamidinium SaltsSynthesis of New Polyamine Ligands Using Vinamidinium Salts778531232FAAbdoimohammad MehranpourDepartment of Chemistry, Persian Gulf University, Bushehr, I.R. IRANLeila GudarziDepartment of Chemistry, Persian Gulf University, Bushehr, I.R. IRANJournal Article20171214<em>In the present study, synthesis of new polyamine ligands using vinamidinium salts in the presence of N-ethyl diisopropylamine in ethanol were reported. In the first part of this study, the synthesis of new polyamine ligands has been reported, in the presence of N-ethyl diisopropylamine in ethanol in three steps: 1. Preparation of N-heteroaryl acetic acid salts, 2. Synthesis of vinamidinium salts and 3. synthesis of polyamine ligands using vinamidinium salts. In the second part, from the reaction of nickel acetate with synthesized polyamine compounds in DMSO as the solvent, the corresponding nickel (II) complexes were obtained and studied by UV spectroscopy.</em><em>In the present study, synthesis of new polyamine ligands using vinamidinium salts in the presence of N-ethyl diisopropylamine in ethanol were reported. In the first part of this study, the synthesis of new polyamine ligands has been reported, in the presence of N-ethyl diisopropylamine in ethanol in three steps: 1. Preparation of N-heteroaryl acetic acid salts, 2. Synthesis of vinamidinium salts and 3. synthesis of polyamine ligands using vinamidinium salts. In the second part, from the reaction of nickel acetate with synthesized polyamine compounds in DMSO as the solvent, the corresponding nickel (II) complexes were obtained and studied by UV spectroscopy.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Synthesis of Functionalized Ketenimines from Hydrazones, Acetylenic Esters, and Alkyl IsocyanidesSynthesis of Functionalized Ketenimines from Hydrazones, Acetylenic Esters, and Alkyl Isocyanides879531233FAMohammad BayatDepartment of Chemistry, Imam Khomeini International University, Qazvin, I.R. IRANSomaye Zeinali NikooDepartment of Chemistry, Imam Khomeini International University, Qazvin, I.R. IRANMonireh Rezaei,Department of Chemistry, Imam Khomeini International University, Qazvin, I.R. IRANJournal Article20171224<em>A simple, efficient one-pot three-component reaction of alkyl isocyanides, acetylenic esters, and hydrazones proceeded at dichloromethane at room temperature afford as highly functionalized ketenimines. The reaction between benzaldehyde derivatives with isatin or benzhydrazide provides hydrazones in good to excellent yields. 1,3-Dipolar intermediates result from alkyl isocyanides to acetylenic esters in the presence of acidic proton, for example, hydrazones proceeded at ketenimines. The functionalized ketenimines caused a suitable substrate for organic compounds. The present procedure carries the advantage that not only is the reaction performed under neutral conditions, but also the substances can be mixed without any activation or catalyst.</em><em>A simple, efficient one-pot three-component reaction of alkyl isocyanides, acetylenic esters, and hydrazones proceeded at dichloromethane at room temperature afford as highly functionalized ketenimines. The reaction between benzaldehyde derivatives with isatin or benzhydrazide provides hydrazones in good to excellent yields. 1,3-Dipolar intermediates result from alkyl isocyanides to acetylenic esters in the presence of acidic proton, for example, hydrazones proceeded at ketenimines. The functionalized ketenimines caused a suitable substrate for organic compounds. The present procedure carries the advantage that not only is the reaction performed under neutral conditions, but also the substances can be mixed without any activation or catalyst.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823One-pot Synthesis of Tetrahydrobenzo[b]pyrans and Pyranopyrazoles Tetrahydrochromenochromene by Ammonium FluorideOne-pot Synthesis of Tetrahydrobenzo[b]pyrans and Pyranopyrazoles Tetrahydrochromenochromene by Ammonium Fluoride9710531237FAMatin AsadiDepartment of Chemistry, Rasht Branch, Islamic Azad University, Rasht, I.R. IRANSepideh EhsanifarDepartment of Chemistry, Rasht Branch, Islamic Azad University, Rasht, I.R. IRANMasoud MokhtaryDepartment of Chemistry, Rasht Branch, Islamic Azad University, Rasht, I.R. IRAN0000-0002-3568-8373Journal Article20171230<em>Consideration for the development of new methods for the efficient preparation </em><em>of heterocyclic compounds is an important issue in the synthesis of organic compounds in chemistry. </em><em>The </em><em>benzo[b]pyrans and pyranopyrazoles are important heterocyclic compounds that constitute the structural unit of a series of important natural biological products. In this research, ammonium fluoride was successfully applied to perform a one-pot reaction of aryl aldehydes, dimedone, or 1,3-cyclohexadione and malononitrile in EtOH:H<sub>2</sub>O (1:1) at room temperature to provide a series of tetrahydrobenzo[b]pyrans in excellent yields. Furthermore, ammonium fluoride catalyzed four-component condensations of aldehyde, malononitrile, hydrazine hydrate, and ethyl acetoacetate to synthesize pyranopyrazole derivatives in EtOH:H<sub>2</sub>O (1:1) at 80 °C. Clean methodologies, short reaction time, high yields, cost-effective catalysts, non-toxic, and environmentally friendly solvent are some advantages of this research. All products were characterized by spectral data and </em><em>by comparison with authentic samples reported in the literature.</em><em>Consideration for the development of new methods for the efficient preparation </em><em>of heterocyclic compounds is an important issue in the synthesis of organic compounds in chemistry. </em><em>The </em><em>benzo[b]pyrans and pyranopyrazoles are important heterocyclic compounds that constitute the structural unit of a series of important natural biological products. In this research, ammonium fluoride was successfully applied to perform a one-pot reaction of aryl aldehydes, dimedone, or 1,3-cyclohexadione and malononitrile in EtOH:H<sub>2</sub>O (1:1) at room temperature to provide a series of tetrahydrobenzo[b]pyrans in excellent yields. Furthermore, ammonium fluoride catalyzed four-component condensations of aldehyde, malononitrile, hydrazine hydrate, and ethyl acetoacetate to synthesize pyranopyrazole derivatives in EtOH:H<sub>2</sub>O (1:1) at 80 °C. Clean methodologies, short reaction time, high yields, cost-effective catalysts, non-toxic, and environmentally friendly solvent are some advantages of this research. All products were characterized by spectral data and </em><em>by comparison with authentic samples reported in the literature.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Regioselective Synthesis of
Dihydrobenzofuro[2,3-b]benzofuran by Reaction of Phenols with Glyoxal Using a Brønsted Acidic Ionic LiquidRegioselective Synthesis of
Dihydrobenzofuro[2,3-b]benzofuran by Reaction of Phenols with Glyoxal Using a Brønsted Acidic Ionic Liquid10711431234FASahar NiroomandDepartment of Chemistry, Mashhad Branch, Islamic Azad University, Mashhad, I.R. IRANHossein BehmadiDepartment of Chemistry, Mashhad Branch, Islamic Azad University, Mashhad, I.R. IRANMehdi PordelDepartment of Chemistry, Mashhad Branch, Islamic Azad University, Mashhad, I.R. IRANSadegh AllamehDepartment of Chemistry, Mashhad Branch, Islamic Azad University, Mashhad, I.R. IRANJournal Article20180120<em>The reaction of 2-naphthol and p-substituted phenols with glyoxal in presence of 1-(4-sulfonylbutyl) pyridinium hydrogensulfate[Py-(CH<sub>2</sub>)<sub>4</sub>SO<sub>3</sub>H][HSO<sub>4</sub>], a Brønsted acidic ionic liquid, as a green catalyst was studied. The effects of solvent, amount of catalyst, temperature, and time on the yield of the reaction was investigated. It was found, that the use of 5% mol ratio </em><em>of catalyst (mol percentage of IL to glyoxal) at 80 °C in solvent-free condition gave good yield (80%).</em><em> The products were characterized based on FT-IR, <sup>1</sup>H-NMR, <sup>13</sup>C-NMR spectra, and comparison of melting point with an authentic sample. The NMR spectra indicated that the compounds had the acetal structure, nor ether.</em><em>The reaction of 2-naphthol and p-substituted phenols with glyoxal in presence of 1-(4-sulfonylbutyl) pyridinium hydrogensulfate[Py-(CH<sub>2</sub>)<sub>4</sub>SO<sub>3</sub>H][HSO<sub>4</sub>], a Brønsted acidic ionic liquid, as a green catalyst was studied. The effects of solvent, amount of catalyst, temperature, and time on the yield of the reaction was investigated. It was found, that the use of 5% mol ratio </em><em>of catalyst (mol percentage of IL to glyoxal) at 80 °C in solvent-free condition gave good yield (80%).</em><em> The products were characterized based on FT-IR, <sup>1</sup>H-NMR, <sup>13</sup>C-NMR spectra, and comparison of melting point with an authentic sample. The NMR spectra indicated that the compounds had the acetal structure, nor ether.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Catalytic Deoximation of Oximes by PIDA in the Presence of Mn(TPP)OAcCatalytic Deoximation of Oximes by PIDA in the Presence of Mn(TPP)OAc11512640402FAFatemeh AziziYasoujGholamreza KarimipourYasoujJournal Article20180108<em>Manganese can frequently be found in the catalytic redox center of several enzymes including superoxide dismutase, catalase, and the oxygen-evolving complex photosystem II. Ti gain insight into the mechanism of these enzymes, a variety of Mn complex such as manganese porphrins; the active mimic of cytochrome P-450, have been developed. Mn prophyrins and several other metal porphyrins, in particular Fe and cr system, have been studied intensively as catalysts in epoxidation of alkenes, hydroxylation of alkanes, hydroxylation of alkanes, decarboxylation of carboxy acids, aromatization of 1,4- dihydropyridines, and oxidation of sulfides. In these catalytic conversions, a variety of oxidants such as iodosylarenes .alkylhydroperoxides, hydrogen peroxide, priodates ,hypochloride, etc .were employed. </em><em>Herein, we report an efficient method for deoximation of oximes by phenyliodine (III) diacetate (PhI(OAc)<sub>2</sub>; PIDA) in the presence of manganese (III) meso-tetraphenylporphyrin acetate (Mn(TPP)OAc) and imidazole at room temperature. A high-Valent manganese-oxo porphyrin complex (Mn=O) was considered as a reactive oxidation intermediate according to an investigation by Uv-Visible spectroscopy. While the steric properties of the substrate (alkenes and oximes) Used in this study are of paramount importance in determining the overall catalytic reaction times and oxidation yields (%), </em> <em>Manganese can frequently be found in the catalytic redox center of several enzymes including superoxide dismutase, catalase, and the oxygen-evolving complex photosystem II. Ti gain insight into the mechanism of these enzymes, a variety of Mn complex such as manganese porphrins; the active mimic of cytochrome P-450, have been developed. Mn prophyrins and several other metal porphyrins, in particular Fe and cr system, have been studied intensively as catalysts in epoxidation of alkenes, hydroxylation of alkanes, hydroxylation of alkanes, decarboxylation of carboxy acids, aromatization of 1,4- dihydropyridines, and oxidation of sulfides. In these catalytic conversions, a variety of oxidants such as iodosylarenes .alkylhydroperoxides, hydrogen peroxide, priodates ,hypochloride, etc .were employed. </em><em>Herein, we report an efficient method for deoximation of oximes by phenyliodine (III) diacetate (PhI(OAc)<sub>2</sub>; PIDA) in the presence of manganese (III) meso-tetraphenylporphyrin acetate (Mn(TPP)OAc) and imidazole at room temperature. A high-Valent manganese-oxo porphyrin complex (Mn=O) was considered as a reactive oxidation intermediate according to an investigation by Uv-Visible spectroscopy. While the steric properties of the substrate (alkenes and oximes) Used in this study are of paramount importance in determining the overall catalytic reaction times and oxidation yields (%), </em> Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823A Study on the Volumetric and Rheological Properties of Binary Mixtures of [bmim]PF6 Ionic Liquid and Aromatic CompoundsA Study on the Volumetric and Rheological Properties of Binary Mixtures of [bmim]PF6 Ionic Liquid and Aromatic Compounds12714430903FAMajid MoosaviDepartment of Physical Chemistry, Faculty of Chemistry, University of Isfahan, Isfahan, I.R. IRANFatemeh ZangiDepartment of Physical Chemistry, Faculty of Chemistry, University of Isfahan, Isfahan, I.R. IRANJournal Article20180106<em>In this work, some thermophysical and transport properties of binary mixtures of ionic liquid 1- butyl -3- methyl imidazolium hexafluoro phosphate ([bmim] PF6) with some aromatic compounds, i.e. toluene and paraxylene, were measured and analyzed. The temperature and composition dependencies of the density and viscosity have been studied in these mixtures. Also, the dependence of viscosity on the shear rate were investigated. The small intercepts of plots of viscosity versus shear rate show that the studied mixtures are moderately non-Newtonian fluids. </em><em>The viscosities of these mixtures are quadratic functions of temperature. This fact shows that the studied</em><em> fluids have non-Arrhenius behavior. Temperature dependence of viscosity data was fitted using four known equations, namely, Power-law, Litovitz, VFT, and Ghatee et al. equations. Also, the activation thermodynamic parameters of these mixtures were calculated. The positive values of Gibbs free energy of activation show that the slip of two layers of the fluid is a non-spontaneous process. The composition dependence of these mixtures are fitted well with McAlister equation.</em><em>In this work, some thermophysical and transport properties of binary mixtures of ionic liquid 1- butyl -3- methyl imidazolium hexafluoro phosphate ([bmim] PF6) with some aromatic compounds, i.e. toluene and paraxylene, were measured and analyzed. The temperature and composition dependencies of the density and viscosity have been studied in these mixtures. Also, the dependence of viscosity on the shear rate were investigated. The small intercepts of plots of viscosity versus shear rate show that the studied mixtures are moderately non-Newtonian fluids. </em><em>The viscosities of these mixtures are quadratic functions of temperature. This fact shows that the studied</em><em> fluids have non-Arrhenius behavior. Temperature dependence of viscosity data was fitted using four known equations, namely, Power-law, Litovitz, VFT, and Ghatee et al. equations. Also, the activation thermodynamic parameters of these mixtures were calculated. The positive values of Gibbs free energy of activation show that the slip of two layers of the fluid is a non-spontaneous process. The composition dependence of these mixtures are fitted well with McAlister equation.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823The Change of Energy of Atoms at the FOX-7 IsomerizationThe Change of Energy of Atoms at the FOX-7 Isomerization14515231168FAFarrokh Roya NikmaramShiite Department, Faculty of Science, Imam Khomeini Memorial –Shahr-e-Rey Branch, Islamic Azad University, Tehran, I.R. IRANJamshid NajafpourShiite Department, Faculty of Science, Imam Khomeini Memorial –Shahr-e-Rey Branch, Islamic Azad University, Tehran, I.R. IRANBehzad ShaikhYoung and Elite Researchers Club, Imam Khomeini Memorial –Shahr-e-Rey Branch, Islamic Azad University, Tehran, I.R. IRANJournal Article20180117<em>In this research, the energies of atoms at the isomerization of 1,1-diamino-2,2-dinitroethene (FOX-7) to Nitrite isomer and Hydrogen transfer isomer have been investigated using Density Functional Theory (DFT) at the level of Quantum mechanics calculation of B3LYP/aug-cc-pVDZ. The study of energies of atoms using Quantum Theory Atoms in Molecules (QTAIM), shows </em><em>the variations of the energy of atoms from FOX-7 to the product. The connected Carbon atom to NO<sub>2</sub> group and also Nitrogen of NO<sub>2</sub> have the most contribution at the processing of the formation of Nitrite isomer and transition state from FOX-7. At the formation of H-transfer isomer from FOX-7, the role of Nitrogen atoms of NO<sub>2</sub> and NH<sub>2</sub> groups at the trance position are important; but the changes</em><em> of the energy of connected Carbon atom to NO<sub>2</sub> group and also Oxygen of this group are notable in this process. The difference in energy of structures at the QTAIM analysis has been compared with DFT results.</em><em>In this research, the energies of atoms at the isomerization of 1,1-diamino-2,2-dinitroethene (FOX-7) to Nitrite isomer and Hydrogen transfer isomer have been investigated using Density Functional Theory (DFT) at the level of Quantum mechanics calculation of B3LYP/aug-cc-pVDZ. The study of energies of atoms using Quantum Theory Atoms in Molecules (QTAIM), shows </em><em>the variations of the energy of atoms from FOX-7 to the product. The connected Carbon atom to NO<sub>2</sub> group and also Nitrogen of NO<sub>2</sub> have the most contribution at the processing of the formation of Nitrite isomer and transition state from FOX-7. At the formation of H-transfer isomer from FOX-7, the role of Nitrogen atoms of NO<sub>2</sub> and NH<sub>2</sub> groups at the trance position are important; but the changes</em><em> of the energy of connected Carbon atom to NO<sub>2</sub> group and also Oxygen of this group are notable in this process. The difference in energy of structures at the QTAIM analysis has been compared with DFT results.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Coordination Chemistry, Spectral, and Structural Characterizations of Mercury (II) Complexes with a New Phosphorus Ylide and
Confirmation Ylide Reactive Site Toward Interaction with Metal Atom by Computational MethodsCoordination Chemistry, Spectral, and Structural Characterizations of Mercury (II) Complexes with a New Phosphorus Ylide and
Confirmation Ylide Reactive Site Toward Interaction with Metal Atom by Computational Methods15316432283FAAlireza DadrasDepartment of Chemistry, Faculty of Science, Urmia University, Postal Fund 57153-165 Urmia, I.R. IRANShahla EbrahimnezhadDepartment of Chemistry, Faculty of Science, Urmia University, Postal Fund 57153-165 Urmia, I.R. IRANMahsa PourmirzaDepartment of Chemistry, Faculty of Science, Urmia University, Postal Fund 57153-165 Urmia, I.R. IRANAli RamezaniDepartment of Chemistry, Zanjan Branch, Islamic Azad University, Zanjan I.R. IRANAli SoldooziPhysics Group, Urmia Branch, Islamic Azad University, Urmia, I.R. IRANJournal Article20180101<em>The reaction of 2-bromo-1-(3-nitrophenyl) ethan-1-one with (tri-p-tolylphosphane) in acetone as solvent was led to effective ylide of 1-(3-nitrophenyl)-2-(tri-p-tolyl- λ5-phosphanylidene) ethan -1- one (NTPPY) (1). Then binuclear complexes of the type [HgX2 (ptolyl)3PCHCOC6H4NO2)] (X = Cl, Br and I), were prepared by the reaction of title ylide with mercury (II) halides in equimolar ratios, using dry methanol as solvent. The final products </em><em>were characterized by IR, 1H, 13C, 31P NMR spectroscopic methods. The solid-state structure of (1)</em><em> was established by X-ray crystallography analysis. Computational studies at DFT (B3LYP/6-31G*) level of theory were used to confirm ylide reactive site</em><em>The reaction of 2-bromo-1-(3-nitrophenyl) ethan-1-one with (tri-p-tolylphosphane) in acetone as solvent was led to effective ylide of 1-(3-nitrophenyl)-2-(tri-p-tolyl- λ5-phosphanylidene) ethan -1- one (NTPPY) (1). Then binuclear complexes of the type [HgX2 (ptolyl)3PCHCOC6H4NO2)] (X = Cl, Br and I), were prepared by the reaction of title ylide with mercury (II) halides in equimolar ratios, using dry methanol as solvent. The final products </em><em>were characterized by IR, 1H, 13C, 31P NMR spectroscopic methods. The solid-state structure of (1)</em><em> was established by X-ray crystallography analysis. Computational studies at DFT (B3LYP/6-31G*) level of theory were used to confirm ylide reactive site</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Synthesis and Characterization of Unsymmetrical Schiff Base Complexes Containing Thioether Donor with Mn(II), Co(III), Ni(II), Cu(II) and Cd(II) Metals IonsSynthesis and Characterization of Unsymmetrical Schiff Base Complexes Containing Thioether Donor with Mn(II), Co(III), Ni(II), Cu(II) and Cd(II) Metals Ions16517231165FAAhmad Ali Dehghani-FirouzabadiDepartment of Chemistry, Yazd University, Yazd, I.R. IRANSyedeh Maryam HosseinimoghadamDepaement of Chemistry, Yazd University, Yazd, IranJournal Article20180110<em>For the preparation of the ligand, 2-((2-(2-(pyridine-2-ylmethyleneamino) phenylthio)ethylimino)methyl)phenol (HL), at first, unymmetric thioethere amine 2-(2-aminoethylthio)-N-(pyridine-2-ylmethyleneanilin) has been prepared through nucleophilic substitution of 2-aminothiophenol with N-(2-bromoethyl)phthalimide, then condensed with pyridine-2-carbaldehyde and then phthalimide group removed with hydrazine hydrate. Then Schiff base ligand HL was prepared via condensation of this unsymmetrical thioether amine with 2-hydroxybenzaldehyde. Mn(II), Co(III), Ni(II), Cu(II) and Cd(II) Schiff base complexes of this ligand have been synthesized. The thioether amine and unsymmetrical Schiff base ligand were characterized by appropriate spectroscopic methods such as IR, <sup>1</sup>H NMR, <sup>13</sup>C NMR studies, and also unsymmetrical Schiff base complexes were characterized by IR, UV-Vis, molar conductivity and elemental analysis methods.</em><em>For the preparation of the ligand, 2-((2-(2-(pyridine-2-ylmethyleneamino) phenylthio)ethylimino)methyl)phenol (HL), at first, unymmetric thioethere amine 2-(2-aminoethylthio)-N-(pyridine-2-ylmethyleneanilin) has been prepared through nucleophilic substitution of 2-aminothiophenol with N-(2-bromoethyl)phthalimide, then condensed with pyridine-2-carbaldehyde and then phthalimide group removed with hydrazine hydrate. Then Schiff base ligand HL was prepared via condensation of this unsymmetrical thioether amine with 2-hydroxybenzaldehyde. Mn(II), Co(III), Ni(II), Cu(II) and Cd(II) Schiff base complexes of this ligand have been synthesized. The thioether amine and unsymmetrical Schiff base ligand were characterized by appropriate spectroscopic methods such as IR, <sup>1</sup>H NMR, <sup>13</sup>C NMR studies, and also unsymmetrical Schiff base complexes were characterized by IR, UV-Vis, molar conductivity and elemental analysis methods.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Molecular Dynamic Simulation of Adsorption of tri-Bisphenol-A-Diglycidyl Ether on MontmorilloniteMolecular Dynamic Simulation of Adsorption of tri-Bisphenol-A-Diglycidyl Ether on Montmorillonite17318231239FAMohammad Khodadadi MoghaddamDepartment of Chemistry, Ardabil Branch, Islamic Azad University, Ardabil, I.R. IRANSoheila Sarabi AghbolaghDepartment of Chemistry, Ardabil Branch, Islamic Azad University, Ardabil, I.R. IRANJournal Article20180116<em>In this research, adsorption of six tri-bisphenol-A-diglycidyl ether oligomers on montmorillonite are investigated using molecular dynamics simulation method at 298, 323, and 348k. At the beginning of the simulation, the distance between oligomers and Montmorillonite is set greater than cut-off distance; but, the distance between oligomer chains is smaller than the cut-off </em><em>distance. During the simulation, the oligomer chains are adsorbed on the surface and after temperature and pressure equilibration, sampling is done for data analysis. The results show that the adsorption</em><em> of oligomer chains on Montmorillonite is done via etheric Oxygens of oligomer chains. The etheric oxygen has a partial negative charge and reacts sufficiently with positive calcium ions of Montmorillonite. The result of this interaction is the strong adsorption of oligomer chains on Montmorillonite. Increasing temperature causes an increase in distance between adsorbed oligomer chains, but, does not strong effect on adsorption of chains on surface.</em><em>In this research, adsorption of six tri-bisphenol-A-diglycidyl ether oligomers on montmorillonite are investigated using molecular dynamics simulation method at 298, 323, and 348k. At the beginning of the simulation, the distance between oligomers and Montmorillonite is set greater than cut-off distance; but, the distance between oligomer chains is smaller than the cut-off </em><em>distance. During the simulation, the oligomer chains are adsorbed on the surface and after temperature and pressure equilibration, sampling is done for data analysis. The results show that the adsorption</em><em> of oligomer chains on Montmorillonite is done via etheric Oxygens of oligomer chains. The etheric oxygen has a partial negative charge and reacts sufficiently with positive calcium ions of Montmorillonite. The result of this interaction is the strong adsorption of oligomer chains on Montmorillonite. Increasing temperature causes an increase in distance between adsorbed oligomer chains, but, does not strong effect on adsorption of chains on surface.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Thermodynamic Modeling of Carbon Dioxide Absorption in Methyl Diethanolamine Aqueous SolutionsThermodynamic Modeling of Carbon Dioxide Absorption in Methyl Diethanolamine Aqueous Solutions18319434365FAAzam MajaflooDepartment of Chemical Engineering, Central Tehran Branch, Islamic Azad University, Tehran, I.R. IRANJournal Article20170318<em>The natural gas as the most important alternative oil resources for providing energy is taken into consideration in recent years. Since the operational and environmental problems </em><em>are created by some compounds in natural gas, so it must be refined in order to use it. CO<sub>2</sub> is one of</em><em> these compounds. On the other hand, today the world is faced with the problem of minimizing greenhouse emissions. Among these gases, CO<sub>2</sub> is considered to be the major contributor due to its abundance. The absorption of CO<sub>2</sub> into alkanolamine chemical solvents is one of the most common methods for capturing CO<sub>2</sub>. In this report, the SAFT-HR equation of state is used to determine the solubility of CO<sub>2</sub> in aqueous methyldiethanolamine solutions. By using the available parameters in the articles and adjusted parameters in this work, the prediction of equilibrium solubility of CO<sub>2</sub> for the temperature range of 298-413.15 K and the pressure range of 0.11-5036.7 kPa is done. The Average Absolute Deviation Percent (AAD%) in temperatures of 298-313-323-328-333-343-348-353-358-373-393-413 is equal to 47.45%, 39.9%, 36.5%, 8.8%, 17.6%, 6.6%, 29.2%, 10.5%, 10.7%, 27.2%, 6.4%, 4.5%, respectively. The average absolute deviation for all of the data points is found to be 27.9%.</em><em>The natural gas as the most important alternative oil resources for providing energy is taken into consideration in recent years. Since the operational and environmental problems </em><em>are created by some compounds in natural gas, so it must be refined in order to use it. CO<sub>2</sub> is one of</em><em> these compounds. On the other hand, today the world is faced with the problem of minimizing greenhouse emissions. Among these gases, CO<sub>2</sub> is considered to be the major contributor due to its abundance. The absorption of CO<sub>2</sub> into alkanolamine chemical solvents is one of the most common methods for capturing CO<sub>2</sub>. In this report, the SAFT-HR equation of state is used to determine the solubility of CO<sub>2</sub> in aqueous methyldiethanolamine solutions. By using the available parameters in the articles and adjusted parameters in this work, the prediction of equilibrium solubility of CO<sub>2</sub> for the temperature range of 298-413.15 K and the pressure range of 0.11-5036.7 kPa is done. The Average Absolute Deviation Percent (AAD%) in temperatures of 298-313-323-328-333-343-348-353-358-373-393-413 is equal to 47.45%, 39.9%, 36.5%, 8.8%, 17.6%, 6.6%, 29.2%, 10.5%, 10.7%, 27.2%, 6.4%, 4.5%, respectively. The average absolute deviation for all of the data points is found to be 27.9%.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Development of a Novel and Robust Hyphenated Method Called DLLME/LI-TLS for Trace Analysis of Cd
in Water and Drug SamplesDevelopment of a Novel and Robust Hyphenated Method Called DLLME/LI-TLS for Trace Analysis of Cd
in Water and Drug Samples19520632753FANader ShokoufiAnalytical Instrumentation & Spectroscopy Laboratory, Chemistry & Chemical Engineering Research Center of Iran, Tehran, I.R. IRANAmir HamdamaliAnalytical Instrumentation & Spectroscopy Laboratory, Chemistry & Chemical Engineering Research Center of Iran,Tehran, I.R. IRANJournal Article20180929<em>Cadmium is one of the most hazardous elements in human health. Dispersive Liquid-Liquid Microextraction / Laser Induced-Thermal Lens Spectrometry (DLLME/LI-TLS) </em><em>was developed as a new combination method for preconcentration and determination of Cd in water,</em><em> juices, and drug tablets. Thermal lens spectrometry is suitable for the determination of analyte after DLLME because of the low volume of the remained phase after DLLME and increasing </em><em>of the enhancement factor for the nonpolar organic solvents. Some effective parameters on the micro</em><em>extraction, complex formation, and combination were selected and optimized. Under optimum conditions, the calibration graphs were linear in the range of 0.1-20 µg/L with the detection limit of 0.01 µg/L. The relative standard deviation (RSD) for 1 and 10 µg/L of cadmium was 3.2 and 2.5, respectively. The enhancement factor of 700 was obtained from a sample volume of 10.0 mL and a determination volume of 25 µL. DLLME/LI-TLS method was applied to the analysis of juices, drug tablets, and real water samples. The accuracy of the method was proved by using standard reference materials and microspectrophotometry.</em><em>Cadmium is one of the most hazardous elements in human health. Dispersive Liquid-Liquid Microextraction / Laser Induced-Thermal Lens Spectrometry (DLLME/LI-TLS) </em><em>was developed as a new combination method for preconcentration and determination of Cd in water,</em><em> juices, and drug tablets. Thermal lens spectrometry is suitable for the determination of analyte after DLLME because of the low volume of the remained phase after DLLME and increasing </em><em>of the enhancement factor for the nonpolar organic solvents. Some effective parameters on the micro</em><em>extraction, complex formation, and combination were selected and optimized. Under optimum conditions, the calibration graphs were linear in the range of 0.1-20 µg/L with the detection limit of 0.01 µg/L. The relative standard deviation (RSD) for 1 and 10 µg/L of cadmium was 3.2 and 2.5, respectively. The enhancement factor of 700 was obtained from a sample volume of 10.0 mL and a determination volume of 25 µL. DLLME/LI-TLS method was applied to the analysis of juices, drug tablets, and real water samples. The accuracy of the method was proved by using standard reference materials and microspectrophotometry.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Determination of Cloxacillin by Using Co3O4 Nanoparticles-Enhanced Chemiluminescence ReactionDetermination of Cloxacillin by Using Co3O4 Nanoparticles-Enhanced Chemiluminescence Reaction20721731464FAMortaza IranifamDepartment of Chemistry, Faculty of Science, University of Maragheh, Maragheh, I.R. IRAN0000-0003-4731-3015Shirin Mikalili Haji KandiDepartment of Chemistry, Faculty of Science, University of Maragheh, Maragheh, I.R. IRANJournal Article20180117<em>In this work, the catalytic effect of Co<sub>3</sub>O<sub>4</sub> NanoParticles (NPs) on the luminol-O<sub>2</sub> chemiluminescence (CL) reaction in alkaline medium was presented. By using quick precipitation method, Co<sub>3</sub>O<sub>4</sub> NPs were synthesized and then by using Scanning Electron Microscopy (SEM), X-Ray Diffraction (XRD), Transmission Electron Microscopy (TEM), Fourier Transform InfraRed (FT-IR) spectroscopy were characterized. In the following, it was indicated that cloxacillin can increase the intensity of the luminol-O<sub>2</sub> CL reaction. Based on these findings, a new, simple, and sensitive CL method for the determination of cloxacillin was presented. The liner range, correlation coefficient, limit of detection and reproducibility (RSD%) of the method for cloxacillin were 3.0 × 10<sup>-5</sup> - 7.0 × 10<sup>-4 </sup>mol/L, 0.99, 2.9 × 10<sup>-5 </sup>mol/L and 2.2% respectively and analysis of each sample took about 1.0 minute. In addition, this proposed method was successfully used for the determination of cloxacillin in pharmaceutical formulation.</em><em>In this work, the catalytic effect of Co<sub>3</sub>O<sub>4</sub> NanoParticles (NPs) on the luminol-O<sub>2</sub> chemiluminescence (CL) reaction in alkaline medium was presented. By using quick precipitation method, Co<sub>3</sub>O<sub>4</sub> NPs were synthesized and then by using Scanning Electron Microscopy (SEM), X-Ray Diffraction (XRD), Transmission Electron Microscopy (TEM), Fourier Transform InfraRed (FT-IR) spectroscopy were characterized. In the following, it was indicated that cloxacillin can increase the intensity of the luminol-O<sub>2</sub> CL reaction. Based on these findings, a new, simple, and sensitive CL method for the determination of cloxacillin was presented. The liner range, correlation coefficient, limit of detection and reproducibility (RSD%) of the method for cloxacillin were 3.0 × 10<sup>-5</sup> - 7.0 × 10<sup>-4 </sup>mol/L, 0.99, 2.9 × 10<sup>-5 </sup>mol/L and 2.2% respectively and analysis of each sample took about 1.0 minute. In addition, this proposed method was successfully used for the determination of cloxacillin in pharmaceutical formulation.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Determination of Total Acidic Number of Motor Oils of Diesels and Cars and Its Correlation to the MileageDetermination of Total Acidic Number of Motor Oils of Diesels and Cars and Its Correlation to the Mileage21922731169FASadeq TanavardinasabDepartment of Chemistry, Faculty of Sciences, University of Sistan and Baluchestan, Zahedan, I.R. IRANMona SargaziDepartment of Chemistry, Faculty of Sciences, University of Sistan and Baluchestan, Zahedan, I.R. IRANKaram GoodarziHormozgan Province Gas Company, Sixth Zone of Gas Transfer, Bandar Abbas, I.R. IRANMassoud KaykhaiiDepartment of Chemistry, Faculty of Sciences, University of Sistan and Baluchestan, Zahedan, I.R. IRAN0000-0003-2890-9286Journal Article20171230<em>Oils are a major group of lubricants which are used to reduce the amount of friction and easier movement of two in contact surfaces that are extracted from crude oil. One of the most important applications of lubricants is the engine oil of vehicles. In this research, the Total Acidic </em><em>Number (TAN) of various types of motor, gearbox, hydraulic, and brake oils were measured in different mileages. The oils were selected both for cars and diesel vehicles from a range of manufacturers. The results showed that the average TAN is 1.4 and 1.7 (mg KOH)/g for car and diesel motor oils, respectively. Also for most of the oils, there is a direct relationship between TAN and the mileage of the car. As for an average of each 5,000 km, TAN increases 0.7 (mg KOH)/g for car oils and 0.3 (mg KOH)/g for diesel oil vehicles. Moreover, it was found that the TAN of brake oil is zero and do not change with mileage. Besides, TAN of the oil taken from the engine and from the inside of the oil filter is the same.</em><em>Oils are a major group of lubricants which are used to reduce the amount of friction and easier movement of two in contact surfaces that are extracted from crude oil. One of the most important applications of lubricants is the engine oil of vehicles. In this research, the Total Acidic </em><em>Number (TAN) of various types of motor, gearbox, hydraulic, and brake oils were measured in different mileages. The oils were selected both for cars and diesel vehicles from a range of manufacturers. The results showed that the average TAN is 1.4 and 1.7 (mg KOH)/g for car and diesel motor oils, respectively. Also for most of the oils, there is a direct relationship between TAN and the mileage of the car. As for an average of each 5,000 km, TAN increases 0.7 (mg KOH)/g for car oils and 0.3 (mg KOH)/g for diesel oil vehicles. Moreover, it was found that the TAN of brake oil is zero and do not change with mileage. Besides, TAN of the oil taken from the engine and from the inside of the oil filter is the same.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Applications of Genetic Algorithms to Optimize Chemical ProcessesApplications of Genetic Algorithms to Optimize Chemical Processes22924431585FAMashallah RezakazemiFaculty of Chemical and Materials Engineering, Shahrood University of Technology, Shahrood, I.R. IRANMojtaba RajiDepartment of Chemical Engineering, University of Kashan, Kashan, I.R. IRANJournal Article20180119<em>In engineering science, the word design from the perspective of people with different definitions and the selection of inputs for the model in different parts of the design and modeling </em><em>of chemical processes have a special place. </em><em>A genetic algorithm is one of the methods that it has been using</em><em> with a simulator to turn it into a powerful tool for optimizing the target function. Due to </em><em>the widespread of this method in recent years and its significant results in various fields of chemical</em><em> engineering, in this article, the method of operation of this method and its applications in different fields are discussed in order to get more familiar. </em><em>In this research, the efficiency of the genetic algorithm in the optimization of chemical engineering-related industries, such as the optimization of agitated reactors, the design of process control equipment, the membrane process parameters, and the optimization of thermal systems have been investigated. </em><em>The results of this study showed the great ability of the genetic algorithm to optimize the processes associated with the chemical engineering industry.</em><em>In engineering science, the word design from the perspective of people with different definitions and the selection of inputs for the model in different parts of the design and modeling </em><em>of chemical processes have a special place. </em><em>A genetic algorithm is one of the methods that it has been using</em><em> with a simulator to turn it into a powerful tool for optimizing the target function. Due to </em><em>the widespread of this method in recent years and its significant results in various fields of chemical</em><em> engineering, in this article, the method of operation of this method and its applications in different fields are discussed in order to get more familiar. </em><em>In this research, the efficiency of the genetic algorithm in the optimization of chemical engineering-related industries, such as the optimization of agitated reactors, the design of process control equipment, the membrane process parameters, and the optimization of thermal systems have been investigated. </em><em>The results of this study showed the great ability of the genetic algorithm to optimize the processes associated with the chemical engineering industry.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Review of Polymerization and Green Polymers Producing in the Supercritical Carbon Dioxide (SC-CO2)Review of Polymerization and Green Polymers Producing in the Supercritical Carbon Dioxide (SC-CO2)24527335182FAGholamhossein SodeifianDepartment of Chemical Engineering, University of Kashan, Kashan, I.R. IRAN0000-0001-7830-0060Sahar DaneshyanDepartment of Chemical Engineering, University of Kashan, Kashan, I.R. IRANJournal Article20190116<em>In recent decades, orientations of different sciences are applying the methods which have less effect on the environment and reduce the wastes. For these reasons, producing </em><em>the polymers with intermediate media (solvent and anti-solvent) of supercritical carbon dioxide is not</em><em> only a good replacement but also eliminates the problems that were mentioned before. In this article, different processes of homogeneous and heterogeneous polymerization and the polymers which have been produced in this media, have been reviewed. The emulsion polymerizations of water and supercritical carbon dioxide, the polymers applied in the medical purpose and the porous polymers have been studied too. In addition, emulsifiers and stabilizers applied in this field were classified. A review of the research shows the growing and progressing in applying of these solvents, modifying and optimization these methods in the green and sustainable development process.</em><em>In recent decades, orientations of different sciences are applying the methods which have less effect on the environment and reduce the wastes. For these reasons, producing </em><em>the polymers with intermediate media (solvent and anti-solvent) of supercritical carbon dioxide is not</em><em> only a good replacement but also eliminates the problems that were mentioned before. In this article, different processes of homogeneous and heterogeneous polymerization and the polymers which have been produced in this media, have been reviewed. The emulsion polymerizations of water and supercritical carbon dioxide, the polymers applied in the medical purpose and the porous polymers have been studied too. In addition, emulsifiers and stabilizers applied in this field were classified. A review of the research shows the growing and progressing in applying of these solvents, modifying and optimization these methods in the green and sustainable development process.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Investigation of Nanoparticle Effect on Lubricant Oil Property and Their Performance on Wear ReduceInvestigation of Nanoparticle Effect on Lubricant Oil Property and Their Performance on Wear Reduce27528234014FAKhadijeh Dideban,Chemistry Department, Payame Noor University, Tehran, I.R. IRANShida BaraghChemistry Department, Payame Noor University, Tehran, I.R. IRANJournal Article20170802<em>Nanoparticles play an important role in improving the performance of engine oil, especially in reducing abrasion. In this research MOS<sub>2</sub>, Al<sub>2</sub>O<sub>3</sub> and MnO<sub>2</sub> nanoparticles used to improve performance and reduce wear properties of lubricant oil. Nanoparticles were added to SN 10W40 oil with different weight fractions. Results of viscosity, flash point and pour point measurements and four-ball tests were compared between lubricant oils contain nanoparticles and lubricant oil without nanoparticles. The results showed that adding MOS<sub>2</sub> and Al<sub>2</sub>O<sub>3</sub> nanoparticles improved wear properties while MOS<sub>2</sub> had a better effect and adding MnO<sub>2</sub> nanoparticles to engine oil improved thermal conduction of SN 10W40 engine oil.</em><em>Nanoparticles play an important role in improving the performance of engine oil, especially in reducing abrasion. In this research MOS<sub>2</sub>, Al<sub>2</sub>O<sub>3</sub> and MnO<sub>2</sub> nanoparticles used to improve performance and reduce wear properties of lubricant oil. Nanoparticles were added to SN 10W40 oil with different weight fractions. Results of viscosity, flash point and pour point measurements and four-ball tests were compared between lubricant oils contain nanoparticles and lubricant oil without nanoparticles. The results showed that adding MOS<sub>2</sub> and Al<sub>2</sub>O<sub>3</sub> nanoparticles improved wear properties while MOS<sub>2</sub> had a better effect and adding MnO<sub>2</sub> nanoparticles to engine oil improved thermal conduction of SN 10W40 engine oil.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Experimental Investigation of Thermal Marangoni Effect on Bypassed Oil RecoveryExperimental Investigation of Thermal Marangoni Effect on Bypassed Oil Recovery28329132896FAMohammad MasoudiInstitute of Petroleum Engineering, College of Engineering, University of Tehran, Tehran, I.R. IRANMaryam KhosraviIOR Research Institute, National Iranian Oil Company, Tehran, I.R. IRAN0000-0002-9046-4743Behzad RostamiInstitute of Petroleum Engineering, College of Engineering, University of Tehran, Tehran, I.R. IRANPejman AbolhosseiniInstitute of Petroleum Engineering, College of Engineering, University of Tehran, Tehran, I.R. IRANJournal Article20180610<em>In this paper, the effect of the InterFacial Tension (IFT) gradient caused by the temperature </em><em>changes (Benard-Marangoni phenomenon), as a new EOR method has been investigated. For a proper understanding and visualizing the mechanism, glass micromodels were used. Carbon dioxide and methane were injected into n-decane saturated micromodel. The gas injection was conducted in different pressure and temperature. The cold gas injection was compared with isotherm gas injection as the zero level of Marangoni flow. The presented results show the significant impact of thermal Marangoni convection on the recovery of bypassed oil and introduced Benard-Marangoni convection as an important mechanism of oil recovery especially in low-pressure reservoirs.</em><em>In this paper, the effect of the InterFacial Tension (IFT) gradient caused by the temperature </em><em>changes (Benard-Marangoni phenomenon), as a new EOR method has been investigated. For a proper understanding and visualizing the mechanism, glass micromodels were used. Carbon dioxide and methane were injected into n-decane saturated micromodel. The gas injection was conducted in different pressure and temperature. The cold gas injection was compared with isotherm gas injection as the zero level of Marangoni flow. The presented results show the significant impact of thermal Marangoni convection on the recovery of bypassed oil and introduced Benard-Marangoni convection as an important mechanism of oil recovery especially in low-pressure reservoirs.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Sphalerite Separation from the Tailings of Kooshk Lead-Zinc Mine Using Flotation MethodSphalerite Separation from the Tailings of Kooshk Lead-Zinc Mine Using Flotation Method29330331164FABehnam BagheriDepatment of Mining Engineering, Sahand University of Technology, Tabriz, I.R. IRANJavad Vazifeh MehrabaniDepartment of Mining Engineering, Sahand University of Technology, Tabriz, I.R. IRANJournal Article20180103<em>In this research work, selective separation of sphalerite from Kooshk mine accumulated tailings were evaluated by the flotation method. Besides the high amount of sphalerite, the presence of carbonaceous matters and a high amount of pyrite (about 50%) were two main features of prepared tailings. In the test conditions of 15g/t collector and pulp natural pH, experimental results indicated that the highest grade and sphalerite recovery achieved by Aero3477 among different collectors of PAX، ، Florrea 2214 و Danafloat 233. In which condition, pyrite had the lowest floatability in the rougher stage. Increasing collector dosage to 40 g/t Zn grade and recovery obtained 24.27% and 68.89% respectively. Unlike PAX collector, in the presence of Aero3477, increasing flotation pulp pH not only depressed pyrite but also pyrite floated considerably in the alkaline pH, in comparison to acidic pulp condition. In addition, it was concluded that in the alkaline condition, pulp viscosity increased, as a result, sphalerite floatability and separation efficiency dropped significantly. The obtained results could be referred to as the side effect of gypsum and some clay minerals on the sphalerite surface and also flotation pulp rheology.</em><em>In this research work, selective separation of sphalerite from Kooshk mine accumulated tailings were evaluated by the flotation method. Besides the high amount of sphalerite, the presence of carbonaceous matters and a high amount of pyrite (about 50%) were two main features of prepared tailings. In the test conditions of 15g/t collector and pulp natural pH, experimental results indicated that the highest grade and sphalerite recovery achieved by Aero3477 among different collectors of PAX، ، Florrea 2214 و Danafloat 233. In which condition, pyrite had the lowest floatability in the rougher stage. Increasing collector dosage to 40 g/t Zn grade and recovery obtained 24.27% and 68.89% respectively. Unlike PAX collector, in the presence of Aero3477, increasing flotation pulp pH not only depressed pyrite but also pyrite floated considerably in the alkaline pH, in comparison to acidic pulp condition. In addition, it was concluded that in the alkaline condition, pulp viscosity increased, as a result, sphalerite floatability and separation efficiency dropped significantly. The obtained results could be referred to as the side effect of gypsum and some clay minerals on the sphalerite surface and also flotation pulp rheology.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Wastewater Treatment and Biodiesel Production Using Microalgae Cultivated in Municipal Wastewater in Semi-Pilot Scale: Mashhad City Wastewater Case StudyWastewater Treatment and Biodiesel Production Using Microalgae Cultivated in Municipal Wastewater in Semi-Pilot Scale: Mashhad City Wastewater Case Study30531934013FAMahmood Akhavan MahdaviDepartment of Chemical Engineering, Ferdowsi University of Mashhad, Mashhad, I.R. IRANReza GheshlaghiDepartment of Chemical Engineering, Ferdowsi University of Mashhad, Mashhad, I.R. IRANGholamreza SaghiOffice of Research and Productivity, Water and Wastewater Management Company of Mashhad,
Mashhad, I.R. IRANSamaneh Aminian TavakoliOffice of Research and Productivity, Water and Wastewater Management Company of Mashhad,
Mashhad, I.R. IRANJournal Article20180921<em>The conventional activated sludge technique in wastewater treatment is an expensive process and suffers from problems such as large amounts of sludge, high energy consumption, high turbidity in the effluent, and not effectively respond to variations in the composition of wastewater. The use of municipal wastewater for microalgae production and its conversion to value-added products such as biodiesel in conjunction with wastewater treatment is a new approach in the wastewater treatment industry. But due to the lack of sufficient information, it has not been extended to a commercial level and most reported activities are at the research level. Specifically, in simultaneous wastewater treatment and microalgae production in a semi-pilot scale very few publications exist. In this study, <br /> for the first time, simultaneous wastewater treatment and microalgae production was conducted <br /> in a semi-pilot 500 l open pond raceway. The objectives of this study were, on one hand, evaluation of the </em><em>potential of algae-based treatment for removal of nutrients and COD and, on the other hand, evaluation of the potential</em><em> of wastewater to produce microalgae in a semi-pilot scale in an open pond raceway. The results indicated </em><em>that in week-long cultivation, biomass concentration of the broth reached 1.25 g/L with the lipid content</em><em> of 25%. Harvesting of microalgae using chemical flocculation resulted in 83% recovery of algal solid content. The dried microalgae, during direct acidic transesterification with 76% yield, produced biodiesel with proper fatty acid profile mainly based on Palmitic, Oleic, and Linoleic acids that accounted for 49.5% of total lipid content. The simultaneous wastewater treatment results indicated COD removal of approximately 50% along with total nitrogen removal of 25%, and phosphate removal of 50% was achieved. This study indicated that microalgae production using wastewater is a promising approach to the development of green technology to produce value-added products.</em><em>The conventional activated sludge technique in wastewater treatment is an expensive process and suffers from problems such as large amounts of sludge, high energy consumption, high turbidity in the effluent, and not effectively respond to variations in the composition of wastewater. The use of municipal wastewater for microalgae production and its conversion to value-added products such as biodiesel in conjunction with wastewater treatment is a new approach in the wastewater treatment industry. But due to the lack of sufficient information, it has not been extended to a commercial level and most reported activities are at the research level. Specifically, in simultaneous wastewater treatment and microalgae production in a semi-pilot scale very few publications exist. In this study, <br /> for the first time, simultaneous wastewater treatment and microalgae production was conducted <br /> in a semi-pilot 500 l open pond raceway. The objectives of this study were, on one hand, evaluation of the </em><em>potential of algae-based treatment for removal of nutrients and COD and, on the other hand, evaluation of the potential</em><em> of wastewater to produce microalgae in a semi-pilot scale in an open pond raceway. The results indicated </em><em>that in week-long cultivation, biomass concentration of the broth reached 1.25 g/L with the lipid content</em><em> of 25%. Harvesting of microalgae using chemical flocculation resulted in 83% recovery of algal solid content. The dried microalgae, during direct acidic transesterification with 76% yield, produced biodiesel with proper fatty acid profile mainly based on Palmitic, Oleic, and Linoleic acids that accounted for 49.5% of total lipid content. The simultaneous wastewater treatment results indicated COD removal of approximately 50% along with total nitrogen removal of 25%, and phosphate removal of 50% was achieved. This study indicated that microalgae production using wastewater is a promising approach to the development of green technology to produce value-added products.</em>Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRNashrieh Shimi va Mohandesi Shimi Iran1022-776838220190823Design, Synthesize and Biological Evaluation of Novel Urea Soluble Epoxide Hydrolase InhibitorsDesign, Synthesize and Biological Evaluation of Novel Urea Soluble Epoxide Hydrolase Inhibitors32132930923FAElham RezaeiDepartment of Pharmaceutical Chemistry, School of Pharmacy, Shahid Beheshti University of Medical Sciences, Tehran, I.R. IRAN0000-0002-6458-0097Mahdi HedayatiCellular and Molecular Research Center, Research Institute for Endocrine Sciences, Shahid Beheshti University of Medical Sciences, I.R. IRANLaleh Hoghooghi RadCellular and Molecular Research Center, Research Institute for Endocrine Sciences, Shahid Beheshti University of Medical Sciences, I.R. IRANSayyed Abbas TabatabaiDepartment of Pharmaceutical Chemistry, School of Pharmacy, Shahid Beheshti University of Medical Sciences, Tehran, I.R. IRAN0000000273633517Journal Article20171229<em>Soluble Epoxide Hydrolase (sEH) enzyme converts Epoxyeicosatrienoic acids (EETs), </em><em>substrates formed by epoxygenases from arachidonic acid, to the corresponding diols. EETs have a wide range of physiological effects. Among them, vasodilatory actions in vascular conduit, renal afferent arterioles, and coronary vessels are more considerable and lead to the regulation of blood pressure and myocardial perfusion. In addition, EETs modulate adhesion molecule expression, platelet aggregation, vascular smooth muscle cell migration, and thrombolytic properties, which could be involved in a protective mechanism against athero 5 sclerosis. Therefore, sEH inhibition that leads to the accumulation of active EETs, provides a novel approach to the treatment of hypertension and atherosclerosis. Since the most reported potent sEH inhibitors have limited pharmacokinetic profile, they aren’t useful for clinical application. The effort to achieve to sEH inhibitors with proper potency and enhanced pharmacokinetic properties is still continuous. In this study, new urea-based compounds with oxadiazole ring against sEH enzyme were developed. <br /> The designed compounds showed a high affinity to the active site of the sEH enzyme and were synthesized in good yield and characterized by IR, Mass, and 1HNMR. Some novel compounds had </em><em>comparable in vitro sEH inhibitory activity to 12-(3-Adamantan-1-yl-ureido)-dodecanoicacid (AUDA),</em><em> a potent urea-based sEH inhibitor.</em><em>Soluble Epoxide Hydrolase (sEH) enzyme converts Epoxyeicosatrienoic acids (EETs), </em><em>substrates formed by epoxygenases from arachidonic acid, to the corresponding diols. EETs have a wide range of physiological effects. Among them, vasodilatory actions in vascular conduit, renal afferent arterioles, and coronary vessels are more considerable and lead to the regulation of blood pressure and myocardial perfusion. In addition, EETs modulate adhesion molecule expression, platelet aggregation, vascular smooth muscle cell migration, and thrombolytic properties, which could be involved in a protective mechanism against athero 5 sclerosis. Therefore, sEH inhibition that leads to the accumulation of active EETs, provides a novel approach to the treatment of hypertension and atherosclerosis. Since the most reported potent sEH inhibitors have limited pharmacokinetic profile, they aren’t useful for clinical application. The effort to achieve to sEH inhibitors with proper potency and enhanced pharmacokinetic properties is still continuous. In this study, new urea-based compounds with oxadiazole ring against sEH enzyme were developed. <br /> The designed compounds showed a high affinity to the active site of the sEH enzyme and were synthesized in good yield and characterized by IR, Mass, and 1HNMR. Some novel compounds had </em><em>comparable in vitro sEH inhibitory activity to 12-(3-Adamantan-1-yl-ureido)-dodecanoicacid (AUDA),</em><em> a potent urea-based sEH inhibitor.</em>