Web of Science (Emerging Sources Citation Index), ISC
1. 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 2020, , Pages 1-12

http://dx.doi.org/10.33945/SAMI/ECC.2020.1.1

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)


Nanochemistry
2. Hydroxyapatite-gelatin and calcium carbonate- gelatin nanocomposite scaffolds: Production, physicochemical characterization and comparison of their bioactivity in simulated body fluid

Simin Sharifi; Farzaneh Lotfipour; Mohammad Ali Ghavimi; Solmaz Maleki Dizaj; Shahriar Shahi; Javad Yazdani; Masumeh Mokhtarpour; Rovshan Khalilov

Volume 3, Issue 2 , February 2021, , Pages 70-80

http://dx.doi.org/10.22034/ecc.2021.256060.1112

Abstract
  In this study, HAP-gelatin and CC-gelatin nanocomposite scaffolds, as bioactive inorganic materials, were synthesized successfully through a chemical precipitation procedure. Next, characterization of the prepared nanocomposite scaffolds was completed using scanning electron microscopy (SEM), dynamic ...  Read More

Hydroxyapatite-gelatin and calcium carbonate- gelatin nanocomposite scaffolds: Production, physicochemical characterization and comparison of their bioactivity in simulated body fluid


3. 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 , March and April 2019, , Pages 125-133

http://dx.doi.org/10.33945/SAMI/ECC.2019.2.1

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


Methematical Chemistry
4. Degree based topological indices of tadpole graph via M-polynomial

Faryal Chaudhry; Muhammad Ehsan; Farkhanda Afzal; Mohammad Reza Farahani; Murat Cancan; Idris Ciftci

Volume 3, Issue 3 , March 2021, , Pages 146-153

http://dx.doi.org/10.22034/ecc.2021.269116.1125

Abstract
  Chemical graph theory has an important impact on the development of the chemical sciences. A chemical graph is a graph that is produced from some molecular structure by applying some graphical operations. The demonstration of chemical compounds and chemical networks with the M-polynomials is a revolution ...  Read More

Degree based topological indices of tadpole graph via M-polynomial


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

Hamideh Shahzad; Roya Ahmadi; Forogh Adhami; Jamshid Najafpour

Volume 2, Issue 2 , February 2020, , Pages 162-169

http://dx.doi.org/10.33945/SAMI/ECC.2020.2.1

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


Computational Chemistry
6. Domination topological properties of some chemical structures using φp-Polynomial approach

Hanan Ahmed; Mohammad Reza Farahani; Anwar Alwardi; Ruby Salestina M

Articles in Press, Accepted Manuscript, Available Online from 15 March 2021

http://dx.doi.org/10.22034/ecc.2021.271992.1133

Abstract
  φp-Polynomial is one way to represent a graph algebraically, and it has a major role in theoretical chemistry. It is used in the calculation of the exact values of many topological indices that depend on the P set degree. In this paper, we study the φp-Polynomial by using minimal and minimum ...  Read More

Domination topological properties of some chemical structures using φp-Polynomial approach


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

Abbas Farmany

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

http://dx.doi.org/10.33945/SAMI/ECC.2019.3.1

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


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 , March 2020, , Pages 296-301

http://dx.doi.org/10.33945/SAMI/ECC.2020.3.1

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. 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 , July and August 2019, , Pages 318-333

http://dx.doi.org/10.33945/SAMI/ECC.2019.4.1

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


10. 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 , September and October 2019, , Pages 411-418

http://dx.doi.org/10.33945/SAMI/ECC.2019.5.1

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


11. CoFe2O4 as green and efficient catalyst for synthesis of multisubstituted imidazoles

Fatemeh Mostaghni; Fereshteh Taat

Volume 2, Issue 4 , April 2020, , Pages 427-432

http://dx.doi.org/10.33945/SAMI/ECC.2020.4.1

Abstract
  CoFe2O4 is used as an efficient catalyst for reaction of benzoin, benzaldehydes, and ammonium acetate under mild and green conditions. This reaction is produced the corresponding 2,4,5-triarylimidazole lophine as the representative of multisubstituted imidazoles in high yields (99%), high purity (>98%) ...  Read More

CoFe2O4 as green and efficient catalyst for synthesis of multisubstituted imidazoles


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

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

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

http://dx.doi.org/10.33945/SAMI/ECC.2019.6.1

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


Computational Chemistry
13. The eccentric connectivity index of polycyclic aromatic hydrocarbons (PAHs)

Mehdi Alaeiyan; Chidambaram Natarajan; G Sathiamoorthy; Mohammad Reza Farahani

Volume 2, Issue 6 , June 2020, , Pages 646-651

http://dx.doi.org/10.33945/SAMI/ECC.2020.6.1

Abstract
  Mathematical chemistry is the area of research engaged in new application of Mathematics in Chemistry. Major areas of research in mathematical chemistry include chemical graph theory. Chemical graph theory applies graph theory to mathematical modeling of chemical phenomena. If G=(V(G),E(G)) is a connected ...  Read More

The eccentric connectivity index of polycyclic aromatic hydrocarbons (PAHs)


Methematical Chemistry
14. Ve-degree and Ev-degree topological analysis of some anticancer drugs

Süleyman Ediz; Murat Cancan; Mehdi Alaeiyan; Mohammad Reza Farahani

Volume 2, Issue 8 , August 2020, , Pages 834-840

http://dx.doi.org/10.22034/ecc.2020.107867

Abstract
  Computing topological indices of drug structures provides the chemical information about the underlying topology of the drug’s structures. Novel anticancer drug studies have been conducting by researches to design and produce ideal drugs. Chemical properties of these new drug candidates investigated ...  Read More

Ve-degree and Ev-degree topological analysis of some anticancer drugs


Organic Chemistry
15. A new strategy for the synthesis of 2-amino-4H-pyran derivatives in aqueous media using DABCO-Cucl complex as a novel and efficient catalyst

Bita Baghernejad; Mahsa Fiuzat

Volume 2, Issue 11 , November 2020, , Pages 1088-1092

http://dx.doi.org/10.22034/ecc.2020.250740.1078

Abstract
  2-Amino-4H-pyran derivatives are reported to have a broad spectrum of biological and pharmacological activities. Some are endowed with anticoagulant, spasmolitic, diuretic, anticancer and antianaphylactin. On the other hand, some 2-amino-4H-pyrans also can be employed as cognitive enhancers, for the ...  Read More

A new strategy for the synthesis of 2-amino-4H-pyran derivatives in aqueous media using DABCO-Cucl complex as a novel and efficient catalyst


Computational Chemistry
16. M-polynomial and degree-based topological indices and line graph of hex board graph

Shahid Amin; Muhammad Aziz Ur Rehman; Mehmet Serif Aldemir; Murat Cancan; Mohammad Reza Farahani

Volume 2, Issue 12 , December 2020, , Pages 1156-1163

http://dx.doi.org/10.22034/ecc.2020.255143.1094

Abstract
  A topological index (TI) is a positive real number associated with the graph of molecule and remains invariant up to graph isomorphism. Until now, several TIs are defined and there are mainly three types: Degree depending, distance depending and spectrum depending. All these TIs found huge applications ...  Read More

M-polynomial and degree-based topological indices and line graph of hex board graph


17. 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 , January and February 2019, , Pages 1-23

http://dx.doi.org/10.33945/SAMI/ECC.2019.1.2

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+


18. 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 2020, , Pages 13-26

http://dx.doi.org/10.33945/SAMI/ECC.2020.1.2

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


Management in Chemistry
19. Covid-19 and its impact on livelihood: An Indian perspective

Kumari Akriti; Ipseeta Satpathy; B.C.M. Patnaik

Volume 3, Issue 2 , February 2021, , Pages 81-87

http://dx.doi.org/10.22034/ecc.2021.265210.1115

Abstract
  Covid-19 has had adverse impact on various sectors of the economy. India’s Corona epidemic started spreading at the fastest pace across the world, becoming the 3rd highest country with infected corona patients. If no further vaccines or measures are in place, it will be very difficult to stabilize ...  Read More

Covid-19 and its impact on livelihood: An Indian perspective


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

Alireza Salabat; Saedeh Najafabadifarahani

Volume 1, Issue 2 , March and April 2019, , Pages 134-141

http://dx.doi.org/10.33945/SAMI/ECC.2019.2.2

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


Computational Chemistry
21. Nanocarbon-assisted biosensor for diagnosis of exhaled biomarkers of lung cancer: DFT approach

Mahmoud Mirzaei; Oguz Gulseren; Mohammad Rafienia; Amirhossein Zare

Volume 3, Issue 3 , March 2021, , Pages 154-161

http://dx.doi.org/10.22034/ecc.2021.269256.1126

Abstract
  Density functional theory (DFT) calculations were performed to investigate a nanocarbon-assisted biosensor for diagnosis of exhaled biomarkers of lung cancer. To this aim, an oxidized model of C20 fullerene (OC) was chosen as the surface for adsorbing each of five remarkable volatile organic compounds ...  Read More

Nanocarbon-assisted biosensor for diagnosis of exhaled biomarkers of lung cancer: DFT approach


22. 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 , February 2020, , Pages 170-180

http://dx.doi.org/10.33945/SAMI/ECC.2020.2.2

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


Methematical Chemistry
23. On the ψk-polynomial of graph

Ammar Alsinai; Anwar Alwardi; Mohammad Reza Farahani; Nandappa D. Soner

Articles in Press, Accepted Manuscript, Available Online from 15 March 2021

http://dx.doi.org/10.22034/ecc.2021.274069.1138

Abstract
  In this paper, for every k-degree distance we define ψk-Polynomial of a connected graph G=(V,E) as  where ψk(i,j) is the number of edges uv in G such that {dk(v), dk(u)}={i,j} and dk(v), dk(u) are the kth degree distance of v and u, and δk, ∆k are the minimum and maximum kth distance degrees respectively. ...  Read More

On the ψk-polynomial of graph


24. 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 , May and June 2019, , Pages 248-256

http://dx.doi.org/10.33945/SAMI/ECC.2019.3.2

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


25. 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 , March 2020, , Pages 302-318

http://dx.doi.org/10.33945/SAMI/ECC.2020.3.2

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