1. Synthesis, characterization and spectroscopic properties of new azo dyes derived from aniline derivatives based on acetylacetone and azo-metal (II) complexes and singular value decomposition (SVD) investigation

Nader Noroozi Pesyan; Vali Gholsanamloo; Maryam Moradi Par; Hamid Rashidnejad; Ali Gharib; Kamelia Nejati

Volume 1, Issue 1, pp. 1-124. , January and February 2019, , Pages 1-19

Abstract
  Four new azo-dyes, 3-phenyl azopentane-2,4-dion (LA), 3-(4-nitro phenyl azo)-pentane-2,4-dion (LP), 3-(2-nitro phenyl azo)-pentane-2,4-dion (LO) and 4-(1-acetyle-2-oxo-propyl azo)-benzene sulfonate sodium (LS), were synthesized from, aniline, 4-nitroaniline, 2-nitroaniline and sulfanilic acid with acetylacetone, ...  Read More

Synthesis, characterization and spectroscopic properties of new azo dyes derived from aniline derivatives based on acetylacetone and azo-metal (II) complexes and singular value decomposition (SVD) investigation


2. Synthesis and molecular docking of novel N-((2-chloroquinolin-3-yl) methylene)-4-methylbenzenamine derivatives as anti-HIV-1 reverse transcriptase inhibitors

Maassoumeh Fazlinezhad; Ahmad Nakhaei; Hossein Eshghi; Mohammad Saadatmandzadeh

Volume 1, Issue 2, pp. 125-241. , March and April 2019, , Pages 125-133

Abstract
  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 ...  Read More

Synthesis and molecular docking of novel N-((2-chloroquinolin-3-yl) methylene)-4-methylbenzenamine derivatives as anti-HIV-1 reverse transcriptase inhibitors


3. Informatics aided QSRR study of retention index of some volatile compounds

Abbas Farmany

Volume 1, Issue 3, pp. 242-317. , May and June 2019, , Pages 242-247

Abstract
  In the present work, an artificial neural network (ANN) model was used to study the quantitative structure retention relationship (QSRR) of retention index (RI) of some volatile compounds in natural cocoa and conched chocolate powder. Molecular structural descriptors are selected using genetic algorithm ...  Read More

Informatics aided QSRR study of retention index of some volatile compounds


4. An investigation on absorption properties of exfoliated graphite for oil spill from Caspian Sea water

Omid Ghasemi; Naser Mehrdadi; Majid Baghdadi; Behnoush Aminzadeh

Volume 1, Issue 4, pp. 318-410. , July and August 2019, , Pages 318-333

Abstract
  Oil spills are the most important environmental impact in oceans and seas. In this article, Oil absorption, which was explored from Sardar-e-Jangal oilfield in Caspian Sea, by exfoliated graphite (EG), was investigated. Graphite was exfoliated through the reaction of graphite-CrO3 intercalation compounds ...  Read More

An investigation on absorption properties of exfoliated graphite for oil spill from Caspian Sea water


5. Computational study of substituent effect on the electronic properties of ferrocylidene acetophenones complexes

Maryam Rahimi; Saeed Jamehbozorgi; Henry Chermette; Reza Ghiasi; Mahboubeh Poor Kalhor

Volume 1, Issue 5, pp. 411-493. , September and October 2019, , Pages 411-418

Abstract
  In this study, the substituent effect on the electronic, spectroscopic properties and thermodynamic parameters of neutral and oxidized states of ferrocylidene acetophenone complexes was investigated by adopting the hybrid meta exchange-correlation functional of M06-2X. The frontier orbitals and the highest ...  Read More

Computational study of substituent effect on the electronic properties of ferrocylidene acetophenones complexes


6. Adsorption of Cytarabine on the Surface of Fullerene C20: A Comprehensive DFT Study

Hamideh Shahzad; Roya Ahmadi; Jamshid Najafpour; Forogh Adhami

Volume 2, Issue 2 , March and April 2020, , Pages 162-169

Abstract
  In this study ، Cytarabine anticancer drug approached fullerene C20 and variations in the chemical properties and reactivity of Cytarabine (anti-cancer drug) the thermodynamic parameters of the formation of nano-derivatives of the Cytarabine with the fullerene C20 nanostructure were calculated. For ...  Read More

Adsorption of Cytarabine on the Surface of Fullerene C20: A Comprehensive DFT Study


7. Natural gas emission incidents simulation and calculation of vent in distribution networks (Case study: Fars Gas Company)

Amir Safavian; zahra Arab Aboosadi; Bizhan Honarvar

Volume 2, Issue 1 , January and February 2020, , Pages 1-12

Abstract
  The objective of this paper is the numerical simulation of accident consequences of natural gas release. Failure of the pipeline can lead to various outcomes, some of which can pose a significant threat of irretrievable damage to people and properties in the immediate vicinity of the failure location. ...  Read More

Natural gas emission incidents simulation and calculation of vent in distribution networks (Case study: Fars Gas Company)


8. Effect of Hbs on accuracy of pulse oximetry in blood oxygen saturation level measurement among adult patients with sickle cell disease

Esmaeil Sadeghi Pour; Saeed Hayati; Mohammad Javad Khorasani; Seyed Ashkan Tabibzadeh Dezfuli

Volume 2, Issue 3 , May and June 2020, , Pages 296-301

Abstract
  This study was conducted to investigate the effect of Hbs on accuracy of pulse oximetry in blood oxygen saturation level measurement among adult patients with sickle cell disease crises in Shahid Mohammadi Hospital of Bandar Abbas during 2017. For this cross-sectional study, the statistical population ...  Read More

Effect of Hbs on accuracy of pulse oximetry in blood oxygen saturation level measurement among adult patients with sickle cell disease


9. Preparing hierarchical nanoporous ZSM-5 zeolite via post-synthetic modification of zeolite synthesized from bagasse and its application for removal of Pb2+

Sedigheh Rostami; Seyed Naser Azizi; Neda Asemi

Volume 1, Issue 1, pp. 1-124. , January and February 2019, , Pages 20-42

Abstract
  In this study, hierarchical H-ZSM-5 zeolite is prepared via post-synthetic modification of parent H-ZSM-5 zeolite (Si/Al=35) synthesized from bagasse (BGA) as silica source using desilication with alkaline treatment (AT). For optimizing the effective parameters on desilication, Taguchi method was utilized. ...  Read More

Preparing hierarchical nanoporous ZSM-5 zeolite via post-synthetic modification of zeolite synthesized from bagasse and its application for removal of Pb2+


10. Physico-chemical evaluation of a biocompatible microemulsion system containing IPM/Tween80/Isobutanol

Alireza Salabat; Saedeh Najafabadifarahani

Volume 1, Issue 2, pp. 125-241. , March and April 2019, , Pages 134-141

Abstract
  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 ...  Read More

Physico-chemical evaluation of a biocompatible microemulsion system containing IPM/Tween80/Isobutanol


11. Multicomponent reaction for the synthesis of 2,3-dihydroquinazolin-4(1H)-ones using isatoic anhydride, aldehydes and NH4OAc under Solvent-free conditions

Asadollah Hassankhani

Volume 1, Issue 3, pp. 242-317. , May and June 2019, , Pages 248-256

Abstract
  Quinazolinone derivatives are nowadays well recognized as valuable scaffold in drug discovery. In this manuscript an improved multicomponent process for the chemical synthesis of 2,3-dihydroquinazolin-4(1H)-one derivatives is described. Isatoic anhydride and aromatic aldehydes with ammonium acetate have ...  Read More

Multicomponent reaction for the synthesis of 2,3-dihydroquinazolin-4(1H)-ones using isatoic anhydride, aldehydes and NH4OAc under Solvent-free conditions


12. Molecular docking and druggability studies of terpenoid-derived metabolites from marine sponges as IL-17A inhibitors

Mostafa Khaledi; Hoda Ziyaee Qychan Atiq; Narges Chamkouri; Ayyub Mojaddami

Volume 1, Issue 5, pp. 411-493. , September and October 2019, , Pages 419-432

Abstract
  In this study, physicochemical properties of 49 compounds extracted from anti-inflammatory sponge species with the aim of ADMET test and Lipinski rule of five have been determined. Fourteen compounds, which showed best results, were subjected to molecular docking studies with IL-17. Among these compounds, ...  Read More

Molecular docking and druggability studies of terpenoid-derived metabolites from marine sponges as IL-17A inhibitors


13. Green synthesis and characterization of silver nanoparticles using Scrophularia Striata extract

Tayeb AB Matin; Nahid Ghasemi; Keivan Ghodrati; Majid Ramezani

Volume 1, Issue 6, pp. 494-594. , November and December 2019, , Pages 494-506

Abstract
  Here, green synthesis of silver nanoparticles (NPs) using aqueous extract of Scrophularia Striata was demonstrated. In order to obtain the best formation conditions of NPs, different physicochemical parameters such as volume of the extract, silver ion concentration, temperature and reaction time were ...  Read More

Green synthesis and characterization of silver nanoparticles using Scrophularia Striata extract


14. Synthesis, characterization, and molecular structure investigation of new tetrahydrobenzo[b]thiophene-based Schiff bases: A combined experimental and theoretical study

Zohreh Ebrahimi; Abolghasem Davoodnia; Alireza Motavalizadehkakhky; Jamshid Mehrzad

Volume 2, Issue 2 , March and April 2020, , Pages 170-180

Abstract
  Five new heterocyclic Schiff base derived from tetrahydrobenzo[b]thiophene were synthesized by condensation reaction of 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile with aromatic aldehydes in dimethylformamide containing ZnCl2. The new Schiff bases were characterized on the basis of FT-IR, ...  Read More

Synthesis, characterization, and molecular structure investigation of new tetrahydrobenzo[b]thiophene-based Schiff bases: A combined experimental and theoretical study


15. Improvement in gas migration reduction in oil wells by using nanoparticles: an experimental investigation

Mahmoud Bayanak; Soroush ZARINABADI; Khalil Shahbazi; Alireza Azimi

Volume 2, Issue 1 , January and February 2020, , Pages 13-26

Abstract
  In recent years, improving the quality and modification of the composition of cement slurry in order to reduce the fluid migration behind the well casings is one of the most important challenges for researchers and oil and gas well drilling industries. It has been demonstrated that nanoparticles have ...  Read More

Improvement in gas migration reduction in oil wells by using nanoparticles: an experimental investigation


16. Optimization of biosynthesized Zn nanoparticles by poisonous Taxus baccata leaves extract and evaluation of their effect on the bacterias and MCF-7 cancer cells

Sona Sarli; Nahid Ghasemi

Volume 2, Issue 3 , May and June 2020, , Pages 302-318

Abstract
  Recently, phyto nanotechnology has proposed new methods for the biosynthesis of nanoparticles and is also an eco-friendly, stable, rapid, simple, and cost-effective method. The present study reported the green synthesis of Zn nanoparticles (Zn NPs) by Taxus baccata extract, and the performance of them ...  Read More

Optimization of biosynthesized Zn nanoparticles by poisonous Taxus baccata leaves extract and evaluation of their effect on the bacterias and MCF-7 cancer cells


17. Electrocatalytic oxidation of sulfite Ion at the surface carbon ceramic modified electrode with prussian blue

Sohrab Ershad; Razieh Mofidi Rasi

Volume 1, Issue 1, pp. 1-124. , January and February 2019, , Pages 43-52

Abstract
  The redox properties of sulfite ion has been examind using cyclic voltammetry in acetonitrile solvent at the surface of gold, pelatin and glassy carbon electrodes. It has bben found tha, sulfite ion exhibits two electron oxidation peak with EC’ mechanism. A novel chemically modified electrode containing ...  Read More

Electrocatalytic oxidation of sulfite Ion at the surface carbon ceramic modified electrode with prussian blue


18. A clean and efficient synthesis of spiro[4H-pyran-oxindole] derivatives catalyzed by egg shell

leila leila Youseftabar-Miri leila Youseftabar-Miri

Volume 1, Issue 2, pp. 125-241. , March and April 2019, , Pages 142-152

Abstract
  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 ...  Read More

A clean and efficient synthesis of spiro[4H-pyran-oxindole] derivatives catalyzed by egg shell


19. A computational molecular approach on chitosan vehicle for metformin

Mahmoud Mirzaei; Oguz Gulseren; Elham Jafari; Mehdi Aramideh

Volume 1, Issue 4, pp. 318-410. , July and August 2019, , Pages 334-343

Abstract
  Density functional theory (DFT) calculations have been performed to study properties of chitosan (Chit) as a possible vehicle for carrying metformin (Met) drug. To this aim, the singular molecules of Met and Chit have been first optimized and sixteen possible bimolecular complexes have been subsequently ...  Read More

A computational molecular approach on chitosan vehicle for metformin


20. Selective trimethylsilylation of alcohols and phenols with hexamethyldisilazane catalyzed by LaCoO3 perovskite

Ebrahim Mehdipour; Ehsan Baharlouei; Zohre Zarnegar

Volume 1, Issue 5, pp. 411-493. , September and October 2019, , Pages 433-440

Abstract
  Trimethylsilylation of alcohols and phenols were carried out under solvent-free conditions with hexamethyldisilazane (HMDS) using LaCoO3 perovskite. LaCoO3 as an efficient catalyst accelerated this reaction under milder condition. The advantages of this method are evident regarding, easy separation, ...  Read More

Selective trimethylsilylation of alcohols and phenols with hexamethyldisilazane catalyzed by LaCoO3 perovskite


21. Comparison of the ultrasonography report by the emergency service with radiology service in suspected DVT patients: A Cross-sectional study for investigation about pharmaceutical and therapeutic interventions

Saeed Hayati; Seyed Ashkan Tabibzadeh; Reza Yazdani; Jedan Yarmoradi; Mania Banar

Volume 2, Issue 2 , March and April 2020, , Pages 181-186

Abstract
  The present research aimed to compare the ultrasonography reports by the emergency service with the radiology service among suspected DVT patients. The present cross-sectional and diagnostic research was conducted on 150 patients suspected of DVT in lower limb who visited the emergency section of Shahid ...  Read More

Comparison of the ultrasonography report by the emergency service with radiology service in suspected DVT patients: A Cross-sectional study for investigation about pharmaceutical and therapeutic interventions


22. Effect of TBAB and SDS surfactants on the interfacial tension of CO2 Hydrate in water

Hamid Sarlak; Alireza Azimi; Seyed Mostafa Tabatabaee Ghomshe; Masoomeh Mirzaei

Volume 2, Issue 3 , May and June 2020, , Pages 319-328

Abstract
  The interfacial tension rate is an important factor in the kinetic study of gas hydrate formation. In this study, the interfacial tension between CO2 hydrate and water was calculated at various temperatures, pressures and solution concentrations a through measurement of the induction time according to ...  Read More

Effect of TBAB and SDS surfactants on the interfacial tension of CO2 Hydrate in water


23. Programming of Fe-catalyzed cascade Knoevenagel-Michael-cyclocondensation reaction: create out pseudo acridine derivatives under solvent free conditions

Ardeshir Khazaei; Ahmad Reza Moosavi-Zare; Hadis Afshar-Hezarkhani; Vahid Khakyzadeh

Volume 2, Issue 1 , January and February 2020, , Pages 27-34

Abstract
  Nano-ferrous ferric oxide (nano-Fe3O4) successfully applied as an efficient and heterogeneous catalyst for the synthesis of 1,8-dioxo-decahydroacridines by the condensation reaction of dimedone with aromatic aldehydes and ammonium acetate or aniline derivatives under mild and solvent-free conditions. ...  Read More

Programming of Fe-catalyzed cascade Knoevenagel-Michael-cyclocondensation reaction: create out pseudo acridine derivatives under solvent free conditions


24. Preparation, characterization and Photo-inactivation of cellulose nanocrystals impregnated with meso-tetrakis(4-nitrophenyl)porphyrin

Fatemeh Fayyaz Jorshari; Mahboubeh Rabbani; Rahmatollah Rahimi; Mehdi Rassa

Volume 1, Issue 1, pp. 1-124. , January and February 2019, , Pages 53-62

Abstract
  In this study, cellulose nanocrystals (CNC) was prepared and meso-tetrakis(4-nitrophenyl)porphyrin (TNPP) was immobilized on it. The product was identified by techniques of UV-Vis, fourier transform infrared (FT-IR), diffuse reflectance UV-Vis spectroscopy (DRS), energy-dispersive X-ray spectroscopy ...  Read More

Preparation, characterization and Photo-inactivation of cellulose nanocrystals impregnated with meso-tetrakis(4-nitrophenyl)porphyrin


25. Co(III)@Fe3O4@SiO2 salen complex as a highly selective and recoverable magnetic nanocatalyst for the oxidation of sulfides and benzylic alcohols

Ali Allahresani; Mohammad ali Nasseri; Alireza Nakhaei; Saeid Aghajani

Volume 1, Issue 2, pp. 125-241. , March and April 2019, , Pages 153-169

Abstract
  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 ...  Read More

Co(III)@Fe3O4@SiO2 salen complex as a highly selective and recoverable magnetic nanocatalyst for the oxidation of sulfides and benzylic alcohols