Synthesis and molecular docking of novel N-((2-chloroquinolin-3-yl) methylene)-4-methylbenzenamine derivatives as anti-HIV-1 reverse transcriptase inhibitors
Maassoumeh
Fazlinezhad
Department of Chemistry, Payame Noor University, Tehran, 19395-3697 Iran
author
Ahmad
Nakhaei
Young Researchers and Elite Club, Mashhad Branch, Islamic Azad University, Mashhad, Iran
author
Hossein
Eshghi
Chemistry Department, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran
author
Mohammad
Saadatmandzadeh
Chemistry Department, Faculty of Science, Ferdowsi University of Mashhad, Mashhad, Iran
author
text
article
2019
eng
In this research work, a proficient method has been developed for the preparation of novel N-((2-chloroquinolin-3-yl) methylene)-4-methylbenzenamine derivatives from 2-chloroquinoline-3-carbaldehyde derivatives and p-toluidine in ethanol as solvent and using catalytic amount of acetic acid under reflux conditions to obtain desired products in good yields. The identification of all the synthesized compounds was confirmed by melting point, FT-IR, 1H NMR, and 13C NMR. Also, in present work all the synthesized compounds were evaluated for their molecular docking as anti-HIV-1 reverse transcriptase inhibitors using GOLD 5.2. software. The result of molecular docking showed that all the compounds established ‘π–π’ interactions with side chain of amino acid.
Eurasian Chemical Communications
Sami Publishing Company (SPC)
2717-0535
1
v.
2
no.
2019
125
133
https://www.echemcom.com/article_92276_2f66aac4641e928e3f11570ccef28503.pdf
dx.doi.org/10.33945/SAMI/ECC.2019.2.1
Physico-chemical evaluation of a biocompatible microemulsion system containing IPM/Tween80/Isobutanol
Alireza
Salabat
Department of Chemistry, Faculty of Science, Arak University, 38156-8-8349, Arak, Iran
author
Saedeh
Najafabadifarahani
Institue of Nanosciences & Nanotechnolgy, Arak University, 38156-8-8349, Arak, Iran
author
text
article
2019
eng
A biocompatible microemulsion system comprising of isopropyl myristate (IPM) as oil, tween 80 as a non-ionic surfactant and isobuthanol as co-surfactant was studied experimentally at 298.15 K. The pseudo-ternary phase diagram for the microemulsion system has been delineated at different surfactant to co-surfactant mass ratio of 1:1, 2.4:1 and 4:1. Some physico-chemical properties such as density, viscosity, refractive index, conductivity and pH, for a typical surfactant to co-surfactant mass ratio of 2.4:1 were determined precisely. It is verified that the transition point of viscosity, conductivity, refractive index and density occurs at about 30 wt% of water. The transition point could be attributed to either the change in the shape of droplets or the transition from o/w microemulsion phase to bicontinuous phase.
Eurasian Chemical Communications
Sami Publishing Company (SPC)
2717-0535
1
v.
2
no.
2019
134
141
https://www.echemcom.com/article_92277_c9b52a998a2249fbe165cfb46f688519.pdf
dx.doi.org/10.33945/SAMI/ECC.2019.2.2
A clean and efficient synthesis of spiro[4H-pyran-oxindole] derivatives catalyzed by egg shell
Leila
Youseftabar-Miri
Department of Chemistry, Tehran Medical Sciences Branch, Islamic Azad University, Tehran, Iran
author
text
article
2019
eng
Egg shell has been utilized as a natural, green, reusable and eco-friendly reagent for the synthesis of spiro[4H-pyran-oxindole] derivatives by one-pot multicomponent reaction of isatins, 1,3-diketones, and malononitrile/ ethyl cyanoacetate. Good functional group tolerance and broad scope of usable substrates are other prominent features of the present methodology.
Eurasian Chemical Communications
Sami Publishing Company (SPC)
2717-0535
1
v.
2
no.
2019
142
152
https://www.echemcom.com/article_92278_ef9209233172ab28ed919c02f003931d.pdf
dx.doi.org/10.33945/SAMI/ECC.2019.2.3
Co(III)@Fe3O4@SiO2 salen complex as a highly selective and recoverable magnetic nanocatalyst for the oxidation of sulfides and benzylic alcohols
Ali
Allahresani
Department of chemistry, University of Birjand
author
Mohammad ali
Nasseri
Department of Chemistry, Faculty of Sciences, University of Birjand, P. O. Box 97175-615, Birjand, Iran
author
Alireza
Nakhaei
Department of Chemistry, Faculty of Sciences, University of Birjand, P. O. Box 97175-615, Birjand, Iran
author
Saeid
Aghajani
Department of Chemistry, Faculty of Sciences, University of Birjand, P. O. Box 97175-615, Birjand, Iran
author
text
article
2019
eng
In this study, Co (III) salen complex was synthesized and immobilized onto the surface of Fe3O4@SiO2 magnetic nanoparticle. The heterogeneous nanocatalyst was characterized by different techniques including X-ray diffraction (XRD), Fourier transform infrared spectra (FT-IR), thermogravimetric analysis (TGA), transmission electron microscopy (TEM), nitrogen adsorption−desorption isotherm (BET), vibrating sample magnetometer (VSM), and atomic absorption spectroscopy (AAS). The oxidation reaction of sulfides to sulfoxide with hydrogen peroxide (30%) was investigated in the presence of catalytic amount of heterogeneous magnetic Co (III) salen complex at room temperature in water, and corresponding products were achieved with excellent yields and selectivity. This catalyst was also used for the oxidation of benzyl alcohol derivatives with tert-butyl hydroperoxide (TBHP) as an oxidant in acetonitrile at reflux conditions and excellent yields, and selectivity was observed. Magnetic Co (III) salen complex showed good stability, and magnetic properties without significant loss in the activity and selectivity.
Eurasian Chemical Communications
Sami Publishing Company (SPC)
2717-0535
1
v.
2
no.
2019
153
169
https://www.echemcom.com/article_92279_167378246de9d968334262492e075d5f.pdf
dx.doi.org/10.33945/SAMI/ECC.2019.2.4
QSAR models to predict physico-chemical Properties of some barbiturate derivatives using molecular descriptors and genetic algorithm- multiple linear regressions
Fatemeh
Shafiei
Department of Chemistry, Arak Branch, Islamic Azad University, P.O. Box 38135-567, Arak, Iran
author
Elham
Esmaeili
Department of chemistry arak Branch, Islamic Azad university
author
text
article
2019
eng
In this study the relationship between choosing appropriate descriptors by genetic algorithm to the Polarizability (POL), Molar Refractivity (MR) and Octanol/water Partition Coefficient (LogP) of barbiturates is studied. The chemical structures of the molecules were optimized using ab initio 6-31G basis set method and Polak-Ribiere algorithm with conjugated gradient within HyperChem 8.0 environment. Three structural parameters were calculated using a quantum-mechanical method and Polak-Ribiere geometric optimization followed ab initio 6-31G method. The multiple linear regressions (MLR) and Backward methods (with significant at the 0.05 level) were employed to give the QSAR models. After MLR analysis, we studied the validation of linearity between the molecular descriptors in the best models for use properties. The predictive powers of the models were discussed by using the method of cross-validation. The results have shown that descriptor (MPC08, SIC2, TIC0), (ZM1V, IC2, GNar, UNIP, X3) and (S1K, Mi, SMTIV) could be used for modeling and predicting the MR, LogP and POL of the corresponding barbiturates respectively.
Eurasian Chemical Communications
Sami Publishing Company (SPC)
2717-0535
1
v.
2
no.
2019
170
179
https://www.echemcom.com/article_92280_66617b241d100d0519c89b4c98704019.pdf
dx.doi.org/10.33945/SAMI/ECC.2019.2.5
Effect of carbon black and fly ash co-fillers content on mechanical and thermal behaviors of styrene butadiene rubber compounds
Shahryar
Pashaei
payame noor university
author
Soleman
Hosseinzadeh
Department of Engineering, Payame Noor University, Tehran, I.R of Iran
author
Basavarajaiah
Siddaramaiah
Department of Polymer Science and Technology, Sri Jayachamarajendra College of Engineering, Mysore - 570 006, Karnataka, India
author
text
article
2019
eng
Fly ash (FA) is produced as a waste byproduct during the burning process of coal in thermal power plants whose cost is primarily associated to cleaning and transportation. It possesses mechanical properties on account of its constituents like silica and alumina. The use of FA as filler in styrene butadiene rubber (SBR) was of researchers’ interest to reinforce and/or to reduce product cost. In this article, the physico-mechanical properties of SBR composites with varying amounts viz., 0, 5, 10, 15, 20 and 40 phr of FA contents were investigated. The physico-mechanical properties of the rubber vulcanizates were determined before and after heat aging at 90 ºC for 72h. It was observed that fly ash-filled SBR composites were better in mechanical properties such as elongation and resilience. Thermo gravimetric analysis (TGA) studies of the SBR/FA composites have been performed in order to establish the thermal stability and the mode of thermal degradation.TGA thermograms indicate multiple steps of the SBR/FA systems thermal degradation.
Eurasian Chemical Communications
Sami Publishing Company (SPC)
2717-0535
1
v.
2
no.
2019
180
190
https://www.echemcom.com/article_92281_6e0475a23103764b2850b4697af6fc0e.pdf
dx.doi.org/10.33945/SAMI/ECC.2019.2.6
An efficient facile and one-pot synthesis of 2-arylsubstituted benzimidazole derivatives using 1-methyl-3-(2-oxyethyl)-1H-imidazol-3-ium-borate sulfonic acid as a recyclable and highly efficient ionic liquid catalyst at green condition
Sami
Sajjadifar
Department of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, Iran.
author
Issa
Amini
Department of Chemistry, Payame Noor University, PO BOX 19395-4697 Tehran, Iran
author
Hadi
Jabbari
Department of Chemistry, Payame Noor University, PO box 19395-3197, Tehran, Iran
author
Omidali
Pouralimardan
Department of Chemistry, Payame Noor University, PO box 19395-3197, Tehran, Iran
author
Mohammad Hossein
Fekri
Department of Chemistry, Ayatollah Alozma Borujerdi University, Borujerd, Iran.
author
Kaushik
Pal
Department of Nanotechnology, Bharath University,BIHER Research Park, Chennai, Tamil Nadu 600073, India
author
text
article
2019
eng
1-Methyl-3-(2-oxyethyl)-1H-Imidazol-3-ium-Borate Sulfonic Acid ([MOEI]-BSA) was easily prepared and used as a new and highly efficient solid acid catalyst for the synthesis of benzimidazole derivatives with high isolated yields. Various substituted benzimidazoles were synthesized by a combination of o-phenylenediamines and aldehydes in the presence of [MOEI]-BSA with excellent yields in water and under a mild and green reaction conditions. This method is also applicable for precursors such as aromatic and unsaturated aldehydes and o-phenylenediamines. Addition of organic part to BSA and synthesis of [MOEI]-BSA as a new Bronsted acidic ionic liquid (BAIL) improved the efficiency of this catalyst. 1-Methyl-3-(2-oxyethyl)-1H-Imidazol-3-ium-Borate Sulfonic Acid ([MOEI]-BSA) was easily prepared and used as a new and highly efficient solid acid catalyst for the synthesis of benzimidazole derivatives with high isolated yields. Various substituted benzimidazoles were synthesized by a combination of o-phenylenediamines and aldehydes in the presence of [MOEI]-BSA with excellent yields in water and under a mild and green reaction conditions. This method is also applicable for precursors such as aromatic and unsaturated aldehydes and o-phenylenediamines. Addition of organic part to BSA and synthesis of [MOEI]-BSA as a new Bronsted acidic ionic liquid (BAIL) improved the efficiency of this catalyst.
Eurasian Chemical Communications
Sami Publishing Company (SPC)
2717-0535
1
v.
2
no.
2019
191
199
https://www.echemcom.com/article_92282_4f631a484745955a21c98579a74d4d11.pdf
dx.doi.org/10.33945/SAMI/ECC.2019.2.7
Partial purification and characterization of cresolase and catecholase activity of black mulberrys (Morus nigra)
Shahriar
Saeidian
Department of Biochemistry, Payame Noor University, P.O. BOX 19395-3697 Tehran, Iran
author
Bahaaldin
Rashidzadeh
payamenoor university
author
Roza
Negahdari
Department of Chemistry, Payame Noor University, P.O. BOX 19395-4697 Tehran, Iran
author
text
article
2019
eng
Polyphenol oxidase from Black mulberrys was extracted and partially purified through (NH4)2SO4 precipitation, dialysis and ion exchange chromatography. P-cresol was the better substrate for cresolase activity with a Km (11.5 mM) and catechol for catecholase activity with Km (6.4 mM) at pH 5. Km for cresolase and catecholase activity of IsoPPOII at pH 6.5 were 12 and 8.5 and for IsoPPOIII at pH 8 were 9.5 and 7.5 mM, respectively. Maximum of catalytic efficiency was obtained for cresolase activity of IsoPPOIII (92.4 unit.mg-1.mM-1) and minimum of catalytic efficiency was obtained for catecholase activity of IsoPPOII (42.9 unit.mg-1.mM-1). The enzyme showed high activity over a broad pH range of 3 – 9 so the optimum pH for PPO activity was found to be 5, 6.5 and 8. The optimal temperature for catecholase was found to be 45°C for IsoPPOIII but 40°C for IsoPPOII and IsoPPOI. Affinity of PPOs for various substrates varies widely. The enzyme showed a broad activity over a broad pH and temperature range. The thermal inactivation studies showed that the IsoPPOIII is heat resistant than IsoPPOII and IsoPPOI. The most potent inhibitors was kojic acid. Kojic acid is a potent inhibitor of IsoPPOIII ˃ IsoPPOII ˃ IsoPPOI.
Eurasian Chemical Communications
Sami Publishing Company (SPC)
2717-0535
1
v.
2
no.
2019
200
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https://www.echemcom.com/article_92283_fe5edc9dd7699d4b4cd14be0b8b3b2fa.pdf
dx.doi.org/10.33945/SAMI/ECC.2019.2.8
Solvent extraction, spectrophotometric determination of copper (II) from environmental samples using o-methylphenyl thiourea as a novel reagent
Shashikant
Raghunath Kuchekar
At/Po. Loni(Kd) Tal. Rahata Dist. Ahmednagar
author
Shivaji D.
Pulate
P. V. P. College, Pravaranagar
author
Haribhau R.
Aher
P. V. P. College, Pravaranagar
author
Vishvas B.
Gaikwad
K.T.H.M.College,Nashik
author
Sung H.
Han
Department of Chemistry, Hanyang University, Seoul, South Korea
author
text
article
2019
eng
A simple and rapid method has been developed for solvent extraction and spectrophotometric determination of copper (II) using o-methylphenyl thiourea (OMPT) as a sensitive reagent. The basis of proposed method is formation of copper (II)-OMPT complex. Copper (II) was extracted with 0.020 mol L-1 OMPT in chloroform from aqueous solution in 0.075 mol L-1 potassium iodate. The absorbance of complex was measured at 510 nm. Beer’s law was obeyed up to 600 µg mL-1 for copper (II). The molar absorptivity and Sandell’s sensitivity of the complex were 1.0167×103 L mol-1 cm-1 and 0.0625 µg cm-2 respectively. Correlation coefficient of the method was 0.93. The stoichiometry of copper (II)-OMPT complex was 1:1 established from slope ratio, mole ratio and job’s continuous variation methods. The stability of copper (II)-OMPT complex was >24 h. The proposed method is free from interferences from large number of foreign ions. The proposed method was successfully applied for separation and determination of copper (II) from real samples (vegetable and environmental samples), binary and ternary synthetic mixtures. Precision of method was checked by finding relative standard deviation for eight determinations that was 0.23%.
Eurasian Chemical Communications
Sami Publishing Company (SPC)
2717-0535
1
v.
2
no.
2019
212
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https://www.echemcom.com/article_92284_e80857a0e1069b35607c3e9bb2251bea.pdf
dx.doi.org/10.33945/SAMI/ECC.2019.2.9
Photosensitizing properties for porphyrazine and some derivatives
Amir Hossein
Rasouli Amirabadi
Isfahan Pharmacy Students' Research Committee
author
Mahmoud
Mirzaei
Department of Medicinal Chemistry, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, Iran
author
text
article
2019
eng
Time-dependent density functional theory (TD-DFT) calculations were performed to study photosensitizing properties for porphrazine and eleven of its related derivatives. Two model categories have been considered based on the existence of CN functional group in addition to the other functional groups; H, CH3, F, CF3, C6H5, and C6F5. The CN group could moderate the molecular level energy properties in which the required absorption wavelengths were almost similar in the models. The numbers of the generated 1O2 molecules are almost around one and some others, in which the numbers are slightly changed for the models based on the required absorption wavelengths. As a final remark, the chemicals could be used with safer wavelength regions for applications on living tissues based on their dominant functional groups.
Eurasian Chemical Communications
Sami Publishing Company (SPC)
2717-0535
1
v.
2
no.
2019
223
227
https://www.echemcom.com/article_92285_e97dfe51e6cc598844a842887eac491a.pdf
dx.doi.org/10.33945/SAMI/ECC.2019.2.10
Turmeric extract as a biocompatible inhibitor of mild steel corrosion in 3.5% NaCl solution
Milad
Edraki
Polymer Department, Technical Faculty, South Tehran Branch, Islamic Azad University, P.O. Box 11365-4435, Tehran, Iran
author
Issa
Mousazadeh Moghadam
Department of Industrial Chemistry, Faculty of Rajaie, Lahijan Branch, Technical and Vocational University (TVU), Guilan, Iran
author
Mohammad
Banimahd Keivani
Department of Chemistry, Payame Noor University (PNU), P. O. Box: 19395-4697, Tehran, Iran
author
Mohammad
Hossein Fekri
chemistry, ayatollah alozma boroujerdi university, boroujerd, iran
author
text
article
2019
eng
orrosion inhibitory impacts of turmeric with concentrations of 200-800 ppm on the electrochemical behavior of mild steel were studied in the medium of NaCl 3.5% using several techniques such as electrochemical impedance spectroscopy (EIS) and polarization. Scanning electron microscopy (SEM) was used for analyzing the surface of mild steel after 24 hours of immersion in the electrolyte solution, with and without turmeric. The results of polarization and EIS demonstrated that for the steel sample immersed in a salt solution containing 800 ppm of turmeric extract, the corrosion current density was decreased and the corrosion potential was shifted to positive values. On the other hand, the electric capacitance of the double-layer was decreased and the charge transfer resistance and inhibition efficiency were increased, confirming an improved corrosion resistance compared to the other sample concentrations. SEM results for the mentioned inhibitor with 800 ppm concentration showed a more even and continuous film formed on the surface of mild steel and no corrosion products was observed.
Eurasian Chemical Communications
Sami Publishing Company (SPC)
2717-0535
1
v.
2
no.
2019
228
241
https://www.echemcom.com/article_92286_3e72e79afdc4d52a53d3653bf4371bbe.pdf
dx.doi.org/10.33945/SAMI/ECC.2019.2.11