Removal of Methylene Blue from Aqueous Solutions using Nano-Magnetic Adsorbent Based on Zinc-Doped Cobalt Ferrite
101. Removal of Methylene Blue from Aqueous Solutions using Nano-Magnetic Adsorbent Based on Zinc-Doped Cobalt Ferrite

Ibrahim Amar; Abubaker Sharif; Manal Ali; Sharefa Alshareef; Fatima Altohami; Mabroukah Abdulqadir; Mohammed M. Ahwidi

Volume 4, Issue 1. pp. 1-114 , January and February 2020, , Pages 1-18

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

Abstract
  In this study, Zn-substituted cobalt ferrite nanoparticles (CoFe1.9Zn0.1O4, CFZ) were successfully synthesized via a combined EDTA-citrate sol-gel process. The synthesized CoFe1.9Zn0.1O4 ...  Read More
In Silico Study of Metoclopramide as A Small Molecule of Dopamine D2 Receptor: a Quantum-Mechanical (QM) Based Molecular Docking Treatment
102. In Silico Study of Metoclopramide as A Small Molecule of Dopamine D2 Receptor: a Quantum-Mechanical (QM) Based Molecular Docking Treatment

Mehdi Nabati; Elaheh Lohrasbi; Hamideh Sabahnoo; Vida Bodaghi-Namileh; Mohammad Mazidi; Hossein Mohammadnejad-Mehrabani; Abdolnaser Tavakkoli; Afshar Gervand

Volume 4, Issue 1. pp. 1-114 , January and February 2020, , Pages 19-33

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

Abstract
  The present research exploration will contain studying the molecular structure, bonds nature, stability, reactivity and electronic properties of the title molecule.The molecular optimization ...  Read More
Nano-sized Mercury(II) Schiff Base Complexes: Synthesis, Characterization and Thermal Studies
103. Nano-sized Mercury(II) Schiff Base Complexes: Synthesis, Characterization and Thermal Studies

Aliakbar Dehno Khalaji

Volume 4, Issue 1. pp. 1-114 , January and February 2020, , Pages 34-39

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.1.3

Abstract
  In this paper, nano-sized of two mercury(II) complexes with the general formula of HgLX2 (X=Br (1) and I (2)), L=N,N¢-bis{(paramethylamino)benzylidene}ethylenediamine have been ...  Read More
Adsorption of Tetryl on the Surface of B12N12: A Comprehensive DFT Study
104. Adsorption of Tetryl on the Surface of B12N12: A Comprehensive DFT Study

Mohammad Reza Jalali Sarvestani; Roya Ahmadi

Volume 4, Issue 1. pp. 1-114 , January and February 2020, , Pages 40-54

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.1.4

Abstract
  In this study, the adsorption of tetryl on the surface of boron nitride cage was evaluated by density functional theory. For this purpose, the structures of tetryl, B12N12, and the ...  Read More
Conductance and FTIR Spectroscopic Study of Triple-ion Formation of Tetrabutylphosphonium Methanesulfonate in Methylamine Solution
105. Conductance and FTIR Spectroscopic Study of Triple-ion Formation of Tetrabutylphosphonium Methanesulfonate in Methylamine Solution

Samir Das; Deepak Ekka; Mahendra Roy

Volume 4, Issue 1. pp. 1-114 , January and February 2020, , Pages 55-67

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.1.5

Abstract
  Triple-ion formation of tetrabutylphosphonium methanesulfonate [Bu4PCH3SO3] in methylamine solution has been reported quantitatively by conductometric study, and the observation has ...  Read More
Evaluating Adsorption of Proline Amino Acid on the Surface of Fullerene (C60) and Carbon Nanocone by Density Functional Theory
106. Evaluating Adsorption of Proline Amino Acid on the Surface of Fullerene (C60) and Carbon Nanocone by Density Functional Theory

Roya Ahmadi; Mohammad Reza Jalali Sarvestani; , Razieh Taghavizad; Naser Rahim

Volume 4, Issue 1. pp. 1-114 , January and February 2020, , Pages 68-79

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.1.6

Abstract
  Determination of proline is of great importance and investigating the interaction of this amino acid with nanostructures play a key role in the construction of novel appropriate sensors ...  Read More
Computational Investigation of β-hydrogen Elimination in the (C2X5)2B(C2H5); X=H, F, Cl, Br Molecules
107. Computational Investigation of β-hydrogen Elimination in the (C2X5)2B(C2H5); X=H, F, Cl, Br Molecules

Saideh Ghorbaninezhad; Reza Ghiasi

Volume 4, Issue 1. pp. 1-114 , January and February 2020, , Pages 80-91

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.1.7

Abstract
  In this paper, the DFT methods were applied at the M06-2X/6–311++G(d,p) levels of theory to investigate the β-hydrogen elimination in the (C2X5)2B(C2H5); X=H, F, Cl, Br. ...  Read More
Improvement of Magnetic Property of CMC/Fe3O4 Nanocomposite by Applying External Magnetic Field During Synthesis
108. Improvement of Magnetic Property of CMC/Fe3O4 Nanocomposite by Applying External Magnetic Field During Synthesis

Niloofar Dehghani; Mohsen Babamoradi; Zoleikha Hajizadeh; Ali Maleki

Volume 4, Issue 1. pp. 1-114 , January and February 2020, , Pages 92-99

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.1.8

Abstract
  In this paper, magnetic nanocomposites were synthesized by embedding ferric oxide nanoparticles into carboxymethyl cellulose (CMC) using co-precipitation method. The properties of the ...  Read More
Improving degradation of polyethylene /acrylic dextrose with ground nut powder
109. Improving degradation of polyethylene /acrylic dextrose with ground nut powder

Santhoskumar A. Umapathi; Jaya Chitra Natarajan

Volume 4, Issue 1. pp. 1-114 , January and February 2020, , Pages 100-105

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.1.9

Abstract
  The novel bio-based additives in the present research were incorporated into LDPE, LDPE in about 5 wt% subsequently processed to produce films of 50μ thickness. The bio-based additive ...  Read More
Can Non-bonded Pair of Electrons of Sp3 Nitrogen with Two Single σ-Bonds on Either Side Still Transmit Substituent Electronic Effects to the Reaction Site? Reversal of Attenuation Effect by Sp3 Nitrogen–A Chemical Education Perspective
110. Can Non-bonded Pair of Electrons of Sp3 Nitrogen with Two Single σ-Bonds on Either Side Still Transmit Substituent Electronic Effects to the Reaction Site? Reversal of Attenuation Effect by Sp3 Nitrogen–A Chemical Education Perspective

R. Sanjeev; V. Jagannadham; R. Ravi

Volume 4, Issue 1. pp. 1-114 , January and February 2020, , Pages 106-114

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.1.10

Abstract
  Dependence of reactivity of organic molecules on substituents was a well-established phenomenon in terms of Hammett and Taft equations in physical-organic chemistry. The well-known ...  Read More
Synthesis and Characterization of New Diamine Based on Fluorine
111. Synthesis and Characterization of New Diamine Based on Fluorine

Ali Sadeghinia; Hossein Mighani

Volume 4, Issue 2. pp. 115-219 , March and April 2020, , Pages 115-122

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

Abstract
  Aromatic and aliphatic diamines are key components in polyamides, polyimides, polyurea and polyurethanes. To prepare high performance and well-featured materials, attempts are directed ...  Read More
Study of Molecular Interactions in Binary Mixtures of Ethylmethylketone and 2-alkanol by Excess Number of i and j Molecules Around a Central Molecule j (Δnij)
112. Study of Molecular Interactions in Binary Mixtures of Ethylmethylketone and 2-alkanol by Excess Number of i and j Molecules Around a Central Molecule j (Δnij)

Elham Shahbazi; Mohammad Almasi

Volume 4, Issue 2. pp. 115-219 , March and April 2020, , Pages 123-129

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

Abstract
  In order to study the nature, type, and magnitude of interactions in the binary mixtures of methyl-ethyl-ketone and a series of 2-alkanol from 2-propanol up to 2-heptanol, excess (or ...  Read More
The Activity of Alkyl Groups in Morpholinium Cation on Chemical Reactivity, and Biological Properties of Morpholinium Tetrafluroborate Ionic Liquid Using the DFT Method
113. The Activity of Alkyl Groups in Morpholinium Cation on Chemical Reactivity, and Biological Properties of Morpholinium Tetrafluroborate Ionic Liquid Using the DFT Method

Mohammad Jahidul Islam; Ajoy Kumer; Sunanda Paul; Md. Nuruzzaman Sarker

Volume 4, Issue 2. pp. 115-219 , March and April 2020, , Pages 130-142

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.2.3

Abstract
  The physical properties, chemical and biological properties are evaluated through the Density Functional Theory (DFT) of molecular mechanics. The difference between Highest Occupied ...  Read More
The Bis(4-methoxy-2-hydroxybenzophenone) copper(II) Complex Used as a New Precursor for Preparation of CuO Nanoparticles
114. The Bis(4-methoxy-2-hydroxybenzophenone) copper(II) Complex Used as a New Precursor for Preparation of CuO Nanoparticles

Aliakbar Dehno Khalaji; Maryam Ghorbani; Michal Dusek; Vaclav Eigner

Volume 4, Issue 2. pp. 115-219 , March and April 2020, , Pages 143-151

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.2.4

Abstract
  In this study, the reaction of 4-methoxy-2-hydroxybenzophenone (HL) with copper(II) nitrate three hydrate in a 1:2 molar ratio in methanol as solvent resulted in the formation of the ...  Read More
Permutation Entropy as a Parameter of Characterizing the Surface of a Thin Film
115. Permutation Entropy as a Parameter of Characterizing the Surface of a Thin Film

Mohammad Reza Zamani Meymian; Rouhollah Haji Abdolvahab

Volume 4, Issue 2. pp. 115-219 , March and April 2020, , Pages 152-160

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.2.5

Abstract
  In this work, silver thin films were prepared using sputtering at different deposition times with the nanoscale thickness. To investigate their surface morphology, atomic force microscopy ...  Read More
Conformational Analysis of 2-halo-1,3,2-dioxaphosphinanes: A Density Functional Theory (DFT) Investigation
116. Conformational Analysis of 2-halo-1,3,2-dioxaphosphinanes: A Density Functional Theory (DFT) Investigation

Masoumeh Vafaei-Nezhad; Reza Ghiasi; Fatemeh Shafiei

Volume 4, Issue 2. pp. 115-219 , March and April 2020, , Pages 161-171

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.2.6

Abstract
  This research aimed at evaluating the stability of the 2-halo-1,3,2-dioxaphosphinanes conformers at the LC-BLYP/aug-cc-pVTZ level of theory. The estimation of the total energy and the ...  Read More
Investigation of ACE Inhibitory Effect and Antioxidant Activity of Peptide Extracted from Spirulina Platensis
117. Investigation of ACE Inhibitory Effect and Antioxidant Activity of Peptide Extracted from Spirulina Platensis

Gholamreza Mahdieh; Mohamad Fazilati; Mahdieh Izadi; Aliasghar Pilehvarian; Habibollah Nazem

Volume 4, Issue 2. pp. 115-219 , March and April 2020, , Pages 172-180

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.2.7

Abstract
  Spirulina platensis is a green-blue microalgae and a rich source of many nutrients such as protein, vitamins, and minerals. Spirulina contains peptides that have therapeutic and beneficial ...  Read More
Assessment of Cr(VI) Biosorption from Aqueous Solution by Artificial Intelligence
118. Assessment of Cr(VI) Biosorption from Aqueous Solution by Artificial Intelligence

Reza Beigzadeh; Seyed Omid Rastegar

Volume 4, Issue 2. pp. 115-219 , March and April 2020, , Pages 181-190

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.2.8

Abstract
  This work investigates the efficiency of date palm fiber as a biosorbent to the removal of Cr(VI) from aqueous solution. The effect of four main factors including, the initial pH, initial ...  Read More
Investigation of Adsorption of the Nitrosamine Molecule as a Carcinogen Agent on the AlN Nanotubes: A DFT Study
119. Investigation of Adsorption of the Nitrosamine Molecule as a Carcinogen Agent on the AlN Nanotubes: A DFT Study

Batoul Makiabadi; Mohammad Zakarianezhad

Volume 4, Issue 2. pp. 115-219 , March and April 2020, , Pages 191-202

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.2.9

Abstract
  In this study, chemical reactivity of (4,0) and (5,0) AlN nanotubes by interaction with nitrosamine molecule as a carcinogen agent was investigated using the B3LYP/6-311++G (d) level ...  Read More
Electro-Optical and Photovoltaic Properties of Oligothiophene and Derivatives; Experimental and Theoretical Investigations
120. Electro-Optical and Photovoltaic Properties of Oligothiophene and Derivatives; Experimental and Theoretical Investigations

Rchid Kacimi; Khawla Khouzami; Tayeb Abram; Lahcen Bejjit; Mohammed Nassiri Bennani; Mohammed Bouachrine

Volume 4, Issue 2. pp. 115-219 , March and April 2020, , Pages 203-219

http://dx.doi.org/10.33945/SAMI/CHEMM.2020.2.10

Abstract
  In this work, conjugated polymers based on thiophene: polythiophene, poly (3-alkythiophene) and poly (alkylbithiophene) were characterized using the nuclear magnetic resonance (NMR) ...  Read More
Computational Investigation into the Solvent Effect on the Diels-Alder Reaction of Isobenzofuran and Ethylene
121. Computational Investigation into the Solvent Effect on the Diels-Alder Reaction of Isobenzofuran and Ethylene

Elham Sheikh Ansari; Reza Ghiasi; Ali Forghaniha

Articles in Press, Accepted Manuscript, Available Online from 21 October 2019

Abstract
  In this work, density functional theory (DFT) method was employed at the M062X/6–311G (d,p) level of theory to investigate the Diels-Alder reaction of isobenzofuran and ethylene ...  Read More
Yttrium Aluminum Garnet (YAG: Al5Y3O12) as an Efficient Catalyst for the Synthesis of Benzimidazole and Benzoxazole Derivatives
122. Yttrium Aluminum Garnet (YAG: Al5Y3O12) as an Efficient Catalyst for the Synthesis of Benzimidazole and Benzoxazole Derivatives

Fatemeh Hakimi; Mehdi Fallah-Mehrjardi; Elham Golrasan

Articles in Press, Accepted Manuscript, Available Online from 08 November 2019

Abstract
  Yttrium aluminum garnet (YAG) was used to efficiently catalyzed andas an eco-friendly method and efficient catalyst for the synthesis of benzimidazole and benzoxazole derivatives by ...  Read More
Kinetic Overview of Catalytic Reforming Units (Fixed and Continuous Reforming)
123. Kinetic Overview of Catalytic Reforming Units (Fixed and Continuous Reforming)

Amir Samimi; Soroush Zarinabadi; Amir Hossein Shahbazi Kootenaei; Alireza Azimi; Masoumeh Mirzaei

Articles in Press, Accepted Manuscript, Available Online from 08 November 2019

Abstract
  Naphtha catalytic reforming is one of the main processes of gasoline production with high octane number. Inactive catalysts and changing the products distribution is an important issue ...  Read More
Optimization of Anodizing Parameters on Photo Decolorization of Textile Dye Solution Using N-Doped Titanium Nanotubes with Response Surface Methodology
124. Optimization of Anodizing Parameters on Photo Decolorization of Textile Dye Solution Using N-Doped Titanium Nanotubes with Response Surface Methodology

Shahab Khameneh Asl; Behnam Mohammadi; Alireza Khataee

Articles in Press, Accepted Manuscript, Available Online from 26 November 2019

Abstract
  Titania nanotube arrays are of great interest due to their nanotubular structure and size-dependent properties. Self-organized TiO2 nanotube arrays could be simply synthesized using ...  Read More
Characterization of ZnO, Cu and Mo Composite Thin Films in Different Annealing Temperatures
125. Characterization of ZnO, Cu and Mo Composite Thin Films in Different Annealing Temperatures

Rouhollah Haji Abdolvahab; Mohammad Reza Zamani Meymian; Noura Soudmand

Articles in Press, Accepted Manuscript, Available Online from 27 November 2019

Abstract
  In this research study, we prepared different thin films of ZnO:Cu, ZnO:Mo, and Zno:Mo:Cu using a magnetron co-sputtering method. At the best of our knowledge, it is the first time ...  Read More