The Experts below are selected from a list of 39 Experts worldwide ranked by ideXlab platform
Mohammad Reza Nabid - One of the best experts on this subject based on the ideXlab platform.
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an efficient ultrasound promoted one pot synthesis of spiroacenaphthylene Pyrazolotriazole and pyrazolophthalazine derivatives
ChemInform, 2012Co-Authors: Seyed Jamal Tabatabaei Rezaei, Yasamin Bide, Mohammad Reza NabidAbstract:The three-component condensation offers a convenient synthesis of various spirocyclic adducts containing a pyrazole unit.
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an efficient ultrasound promoted one pot synthesis of spiroacenaphthylene Pyrazolotriazole and pyrazolophthalazine derivatives
Tetrahedron Letters, 2012Co-Authors: Seyed Jamal Tabatabaei Rezaei, Yasamin Bide, Mohammad Reza NabidAbstract:Abstract A facile and efficient one pot three-component ultrasound-promoted synthesis of spiro pyrazolo compounds has been developed. Employing ethanol as a solvent, assumed to be relatively environmentally benign, and use of an inexpensive and readily available catalyst combined with the advantages of sonochemistry, such as mild reaction conditions, excellent yield, and short reaction times highlight this synthetic route. The reactions were carried out under both conventional heating and ultrasound-assisted conditions and several reaction parameters are investigated and compared.
Seyed Jamal Tabatabaei Rezaei - One of the best experts on this subject based on the ideXlab platform.
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an efficient ultrasound promoted one pot synthesis of spiroacenaphthylene Pyrazolotriazole and pyrazolophthalazine derivatives
ChemInform, 2012Co-Authors: Seyed Jamal Tabatabaei Rezaei, Yasamin Bide, Mohammad Reza NabidAbstract:The three-component condensation offers a convenient synthesis of various spirocyclic adducts containing a pyrazole unit.
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an efficient ultrasound promoted one pot synthesis of spiroacenaphthylene Pyrazolotriazole and pyrazolophthalazine derivatives
Tetrahedron Letters, 2012Co-Authors: Seyed Jamal Tabatabaei Rezaei, Yasamin Bide, Mohammad Reza NabidAbstract:Abstract A facile and efficient one pot three-component ultrasound-promoted synthesis of spiro pyrazolo compounds has been developed. Employing ethanol as a solvent, assumed to be relatively environmentally benign, and use of an inexpensive and readily available catalyst combined with the advantages of sonochemistry, such as mild reaction conditions, excellent yield, and short reaction times highlight this synthetic route. The reactions were carried out under both conventional heating and ultrasound-assisted conditions and several reaction parameters are investigated and compared.
Yasamin Bide - One of the best experts on this subject based on the ideXlab platform.
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an efficient ultrasound promoted one pot synthesis of spiroacenaphthylene Pyrazolotriazole and pyrazolophthalazine derivatives
ChemInform, 2012Co-Authors: Seyed Jamal Tabatabaei Rezaei, Yasamin Bide, Mohammad Reza NabidAbstract:The three-component condensation offers a convenient synthesis of various spirocyclic adducts containing a pyrazole unit.
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an efficient ultrasound promoted one pot synthesis of spiroacenaphthylene Pyrazolotriazole and pyrazolophthalazine derivatives
Tetrahedron Letters, 2012Co-Authors: Seyed Jamal Tabatabaei Rezaei, Yasamin Bide, Mohammad Reza NabidAbstract:Abstract A facile and efficient one pot three-component ultrasound-promoted synthesis of spiro pyrazolo compounds has been developed. Employing ethanol as a solvent, assumed to be relatively environmentally benign, and use of an inexpensive and readily available catalyst combined with the advantages of sonochemistry, such as mild reaction conditions, excellent yield, and short reaction times highlight this synthetic route. The reactions were carried out under both conventional heating and ultrasound-assisted conditions and several reaction parameters are investigated and compared.
El Mokhtar Essassi - One of the best experts on this subject based on the ideXlab platform.
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multidimensional insights involving electrochemical and in silico investigation into the corrosion inhibition of newly synthesized Pyrazolotriazole derivatives on carbon steel in a hcl solution
RSC Advances, 2019Co-Authors: Lei Guo, Youness El Bakri, El Hassane Anouar, Jianhong Tan, Savas Kaya, El Mokhtar EssassiAbstract:Herein, the anti-corrosion of carbon steel in 1 M HCl by two newly synthesized Pyrazolotriazole derivatives, namely, 6-methyl-1H-pyrazolo[5,1-c][1,2,4]triazole-7-carbonitrile (CPT) and 1-acetyl-6-methyl-1H-pyrazolo[5,1-c][1,2,4]triazole-7-carbothioamide (MPT), was studied using electrochemical, density functional theory (DFT), and molecular dynamics (MD) simulation techniques. The experimental results showed that the concentrations of inhibitors had a significant influence on their inhibition efficiencies. Potentiodynamic polarization curves indicated that the two Pyrazolotriazoles were mixed-type inhibitors. DFT calculations were employed to explore the molecular activity, and MD simulations were performed to obtain the interaction energy between the inhibitor molecules and the iron surface. The findings obtained using the theoretical calculation techniques were consistent with those obtained via experiments.
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synthesis crystal structure dft molecular dynamics simulation and evaluation of the anticorrosion performance of a new Pyrazolotriazole derivative
Journal of Molecular Structure, 2019Co-Authors: Youness El Bakri, Lei Guo, El Hassane Anouar, El Mokhtar Essassi, A Harmaoui, Abdelkader Ben Ali, Joel T MagueAbstract:Abstract A new Pyrazolotriazole derivative, namely, 1-acetyl-6-methyl-1H-pyrazolo [3,2-c][1,2,4]triazole (APT) was synthesized. The corrosion inhibition performance of APT on carbon steel in 1 M hydrochloric acid solution was investigated using potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) methods. The results showed that the inhibition efficiency of APT increases with concentration and attains its maximum of 93% at 10−3 M. The potentiodynamic polarization study suggests that APT acts as mixed type inhibitor. The EIS studies show that APT produces a covering layer at the metal/electrolyte interface. The adsorption of this compound on steel surfaces followed a Langmuir adsorption isotherm. DFT calculations at the B3LYP level of theory and the analyses of frontier orbitals allow the determination of the active adsorbed sites of APT on the metal surface, and molecular dynamics simulations further illustrate the most reasonable adsorption configuration.
Lei Guo - One of the best experts on this subject based on the ideXlab platform.
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multidimensional insights involving electrochemical and in silico investigation into the corrosion inhibition of newly synthesized Pyrazolotriazole derivatives on carbon steel in a hcl solution
RSC Advances, 2019Co-Authors: Lei Guo, Youness El Bakri, El Hassane Anouar, Jianhong Tan, Savas Kaya, El Mokhtar EssassiAbstract:Herein, the anti-corrosion of carbon steel in 1 M HCl by two newly synthesized Pyrazolotriazole derivatives, namely, 6-methyl-1H-pyrazolo[5,1-c][1,2,4]triazole-7-carbonitrile (CPT) and 1-acetyl-6-methyl-1H-pyrazolo[5,1-c][1,2,4]triazole-7-carbothioamide (MPT), was studied using electrochemical, density functional theory (DFT), and molecular dynamics (MD) simulation techniques. The experimental results showed that the concentrations of inhibitors had a significant influence on their inhibition efficiencies. Potentiodynamic polarization curves indicated that the two Pyrazolotriazoles were mixed-type inhibitors. DFT calculations were employed to explore the molecular activity, and MD simulations were performed to obtain the interaction energy between the inhibitor molecules and the iron surface. The findings obtained using the theoretical calculation techniques were consistent with those obtained via experiments.
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synthesis crystal structure dft molecular dynamics simulation and evaluation of the anticorrosion performance of a new Pyrazolotriazole derivative
Journal of Molecular Structure, 2019Co-Authors: Youness El Bakri, Lei Guo, El Hassane Anouar, El Mokhtar Essassi, A Harmaoui, Abdelkader Ben Ali, Joel T MagueAbstract:Abstract A new Pyrazolotriazole derivative, namely, 1-acetyl-6-methyl-1H-pyrazolo [3,2-c][1,2,4]triazole (APT) was synthesized. The corrosion inhibition performance of APT on carbon steel in 1 M hydrochloric acid solution was investigated using potentiodynamic polarization (PDP) and electrochemical impedance spectroscopy (EIS) methods. The results showed that the inhibition efficiency of APT increases with concentration and attains its maximum of 93% at 10−3 M. The potentiodynamic polarization study suggests that APT acts as mixed type inhibitor. The EIS studies show that APT produces a covering layer at the metal/electrolyte interface. The adsorption of this compound on steel surfaces followed a Langmuir adsorption isotherm. DFT calculations at the B3LYP level of theory and the analyses of frontier orbitals allow the determination of the active adsorbed sites of APT on the metal surface, and molecular dynamics simulations further illustrate the most reasonable adsorption configuration.
