Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
3
6
2021
06
01
Producing, characterizing and utilizing a novel magnetic catalyst to promote construction of N,N′-alkylidene bisamides
360
368
EN
Amir
Hosain
Karimi
Department of Chemistry, Payame Noor University, P.O. BOX 19395-3697, Tehran, Iran
karimiamir266@gmail.com
Ali
Hekmat-Ara
Department of Chemistry, Payame Noor University, P.O. BOX 19395-3697, Tehran, Iran
alihekmata0@gmail.com
Abdolkarim
Zare
0000-0002-8210-3155
Department of Chemistry, Payame Noor University, P.O. BOX 19395-3697, Tehran, Iran
abdolkarimzare@yahoo.com
Marziyeh
Barzegar
Department of Chemistry, Payame Noor University, P.O. BOX 19395-3697, Tehran, Iran
barzegar.marziyeh@yahoo.com
Roghayyeh
Khanivar
Department of Chemistry, Payame Noor University, P.O. BOX 19395-3697, Tehran, Iran
r.khanivar@yahoo.com
Masoud
Sadeghi-Takallo
Department of Chemistry, Payame Noor University, P.O. BOX 19395-3697, Tehran, Iran
mm_sadeghei@yahoo.com
10.22034/ecc.2021.277415.1149
A novel magnetic material namely [Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>@RNMe<sub>2</sub>-SO<sub>3</sub>H][Cl/MeSO<sub>3</sub>] (FSRNSCM) was produced. Energy-dispersive X-ray spectroscopy (EDS), field emission scanning electron microscopy (FE-SEM), FT-IR, X-ray diffraction (XRD), vibrating-sample magnetometry (VSM), thermal gravimetric (TG) and differential thermal gravimetric (DTG) analyses were utilized to characterize it. Most of the particles had nano sizes, some of which were more than 100 nm. Thereafter, FSRNSCM was applied as an efficacious and magnetically recyclable catalyst for the solvent-free condensation of arylaldehydes (1 eq.) and primary amides (2 eq.) to construct <em>N</em>,<em>N</em>′-alkylidene bisamides.
Magnetic catalyst,Solvent-free,[Fe3O4@SiO2@RNMe2-SO3H][Cl/MeSO3] (FSRNSCM),N,N′-Alkylidene bisamide
https://www.echemcom.com/article_130191.html
https://www.echemcom.com/article_130191_a4433904591f5600c5337409cf51d6d3.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
3
6
2021
06
01
A computational study at blocking probability of the SARS-CoV-2 spike protein through the binding of cellular receptors
369
382
EN
Saeedeh
Mohammadi
0000-0003-2204-3661
Department of Physics, Shahid Rajaee Teacher Training University, Lavizan, Tehran 16788-15811, Iran
s.mohammadi@sru.ac.ir
Esmail
Doustkhah
0000-0003-1459-1756
International Center for Materials Nanoarchitechtonics (WPI-MANA), National Institute for Materials Science (NIMS), 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan
doustkhah.esmail@nims.go.jp
Ahmad Reza
Salehi Chaleshtori
0000-0002-8689-8450
Department of Medical Genetics, Faculty of Medical Sciences, Tarbiat Modares University, P.O. Box 14115-331, Tehran, Iran
arsalech@gmail.com
Mohammad
Esmailpour
0000-0001-9086-0941
Department of Physics, Azarbaijan Shahid Madani University, Tabriz 53714-161, Iran
esmailpour@azaruniv.ac.ir
Farzad
Zamani
0000-0001-8469-6364
The Institute of Scientific and Industrial Research (ISIR), Osaka University, Ibaraki-shi, Osaka 567-0047, Japan
fz.zamani@gmail.com
Ayoub
Esmailpour
0000-0001-8340-7348
Department of Physics, Shahid Rajaee Teacher Training University, Lavizan, Tehran 16788-15811, Iran
esmailpour@sru.ac.ir
10.22034/ecc.2021.277176.1146
In this paper, the SARS-CoV-2 spike encoding gene sequences were analyzed to find the structural homology of S proteins. The S protein of SARS-CoV-2 was obtained from homology modeling and the protein-protein docking was performed to elucidate sites active in S protein for ACE2, dipeptidyl peptidase 4 (DPP4), chemokine receptor 5 (CCR5), and AXL. The two crucial binding sites of S protein, known as RBD and CTD, were investigated. Three-dimensional structures of 8 possible RBD/CTD-receptor complexes were evaluated using molecular dynamic (MD) simulations. The best simulation models of the SARS-CoV-2 S protein active sites with the receptors were obtained for the ACE2 receptor (PDB:6VW1), providing 99.5% and 98.5% coverage for CTD and RBD, respectively. The SARS-CoV-2 S protein may connect with the ACE2 receptor via the RBD sites of the S protein and the ACE2 peptidase domain (PD), which can be blocked by encoding gene sequence in the active sites of S protein, offering an attractive protection approach against this novel SARS-CoV-2 virus.
SARS-CoV-2,Spike protein,Homology modeling,Molecular docking,Dynamic simulation
https://www.echemcom.com/article_130229.html
https://www.echemcom.com/article_130229_80e05f75e36fec3d1dfc87ca8fd67bc9.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
3
6
2021
06
01
Recent advances in sulfadiazine's preparation, reactions and biological applications
383
391
EN
Mahmood
M.
Fahad
https://orcid.org/00
Department of Chemical Industries, Institute of Technology-Baghdad, Middle Technical University, Iraq
mahmood89@mtu.edu.iq
Mohammed
G. A.
Alkhuzaie
https://orcid.org/00
Department of Chemical Industries, Institute of Technology-Baghdad, Middle Technical University, Iraq
mgabbas89@gmail.com
Shahad
F.
Ali
https://orcid.org/00
Department of Pharmacy, Al-Esraa University College, Baghdad, Iraq
shahadalobaidi24@gmail.com
10.22034/ecc.2021.280357.1159
Sulfa drugs have great attraction due to their wide applications in medicine, pharmacology and other sciences. One of the most important compounds of Sulfa drugs family is sulfadiazine compound (SDA). It is considered as one of the most important antibiotics that is used in treatment of many diseases such as urinary tract infections (UTIs), toxoplasmosis, malaria and other cases. Due to vital role of sulfadiazine in our life, this review focused on the sulfadiazine properties, preparation methods, reactions and its biological applications.
Sulfadiazine,Preparation,Reactions,Biological activity
https://www.echemcom.com/article_130477.html
https://www.echemcom.com/article_130477_8f6a8d93712640f1a1c59ed256998b54.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
3
6
2021
06
01
Synthesis of new 5-aryl tetrazoline from N-2-hydrazido cyclic imides and study of biological activity
392
400
EN
Akram
Sadek
Kram Allah
0000-0003-0181-5834
Department of Chemistry, College of Sciences, Baghdad University, Baghdad, Iraq
akram.sadek333@gmail.com
Entesar
O.
Al-Tamimi
Department of Chemistry, College of Sciences, Baghdad University, Baghdad, Iraq
entesar.fggh@gmail.com
10.22034/ecc.2021.280708.1161
This research focused on the synthesis of some new 5-aryl tetrazoline derivatives on cyclic imides via reaction of N-(2-chloro acetyl) imides with hydrazine hydrate to give compounds (1,2). Then, compounds (1,2) reacted with different aromatic aldehydes to give Schiff bases compounds (3-10). On the other hand, compound N-(2-chloro acetyl) imides reacted with sodium azide to give compounds (11,12). And finally, react Schiff bases compounds (3-10) with compounds 11 and 12 to give the tetrazoline ring. The compounds prepared were characterized by FT-IR and some of them by <sup>1</sup>H-NMR. The effects of the preparing compounds on some strains of bacteria and fungi were studied.
cyclic imides,Schiff bases,Sodium azide,tetrazoline,Biological activity
https://www.echemcom.com/article_130622.html
https://www.echemcom.com/article_130622_7f2cbe9b16953daca5b3850c29b6aabe.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
3
6
2021
06
01
Synthesis of new heterocyclic containing azo group from 2-N-chloro acetamido creatinine and studying their biological activity
401
405
EN
Raed
Muslim
Mhaibes
0000-0002-4835-0873
Department of Biochemistry, College of Medicine, University of Missan, Missan, Iraq
raadmuslim7@gmail.com
Entesar
O.
Al-Tamimi
Department of chemistry, College of Science, University of Baghdad, Baghdad, Iraq
entesar23o@gmail.com
10.22034/ecc.2021.281946.1170
The present work include synthesized new 2-amino-4-subs. thiozole(1) from reaction of 2-N-chloro acetamido Creatinine with thiourea. Compound (1) was treated with sodium nitrate and hydrochloric acid in (0-5<sup>º</sup>C) to form diazonium salt (2), then diazonium salt reacted with acetylacetone and hydrazine, phenyl hydrazine and 2,4-dinitrophenyl hydrazine to give pyrazole ring (4-6). On the other hand, diazonium salt was react with pyrrole in the presence of glacial acetic acid to form compound (7) and with different Schiff bases to produce compounds (8-9). Prepared compounds were measured by IR and melting point and some of them by <sup>1</sup>HNMR and their biological activity was studied.
thiozole,Diazonium salt,azo compounds,Biological activity
https://www.echemcom.com/article_130623.html
https://www.echemcom.com/article_130623_6a71dad7aa732bc2ac3ba79224e2d72c.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
3
6
2021
06
01
Numerical calculation of necessary distancing regarding SARS-CoV-2 (COVID-19) vs. spherical viruses, based on environmental features
406
417
EN
Mohammad
Javadi
0000-0002-2818-9031
Department of Mechanical Engineering, Quchan University of Technology, Quchan, Iran
mohammad.javadi@qiet.ac.ir
10.22034/ecc.2021.277278.1152
Corona viruses are spherical nanoparticles with peripheral spike protein and diameters around 60 to 140 nm. In contrast to the elder versions, COVID-19 spread vastly and quickly all over the world. World Health Organization (WHO) insists on adequate social distancing in order to decrease the risk of contagion by air. In the present work, different parameters which affect the necessary social distance were investigated. Drag coefficient around a Corona-shaped nanoparticle with the geometry of COVID-19 was determined by modeling laminar flow in different Reynolds numbers. Accordingly, modified correlations for drag coefficient were derived which implied to be much higher in Corona-shaped particles in compare to spherical ones. Applying the new modified correlation, the behavior of 120 nm to 120 mm droplets generated by sneezing or coughing were investigated considering the evaporation of the volatile portion of the virus (around 94%), in different ambient conditions, namely temperature, pressure and relative humidity. Studying COVID-19 falling behavior showed that terminal velocity in Corona-shaped particles was much lower than spherical particles of the same size. It was also proved that falling time in Corona-shaped particles was longer, i.e. lasted longer in air. Ambient temperature increase and decrease in ambient relative humidity resulted into decrease in falling speed of the Corona particles. Decrease in ambient pressure, i.e. increase in elevation from sea level, yielded an increase in molecular free mean path which consequently resulted into reduction in falling speed. Hot dry areas were recognized to be critical from the viewpoint of COVID-19 spread through air.
COVID-19,Drag coefficient,Ambient conditions,Terminal velocity,Fall time
https://www.echemcom.com/article_130700.html
https://www.echemcom.com/article_130700_6a27c07b7f725c7c90ff7e8cd21adbd6.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
3
6
2021
06
01
Computational analysis of new degree-based descriptors of Zig-Zag Benzenoid system
418
424
EN
Farkhanda
Afzal
0000-0001-5396-7598
MCS, National University of Sciences and Technology, Islamabad, Pakistan
farkhanda@mcs.edu.pk
Muhammad
Zaman
Department of Mathematics and Statistics, The University of Lahore, Lahore, 54000, Pakistan
zamanafridi342@gmail.com
Faryal
Chaudhry
Department of Mathematics and Statistics, The University of Lahore, Lahore, 54000, Pakistan
chaudhryfaryal@gmail.com
Deeba
Afzal
0000-0001-5268-7260
Department of Mathematics and Statistics, The University of Lahore, Lahore, 54000, Pakistan
deebafzal@gmail.com
Mohammad
Reza
Farahani
0000-0003-2969-4280
Department of Applied Mathematics, Iran University of Science and Technology (IUST), Narmak, Tehran 16844, Iran
mrfarahani88@gmail.com
Murat
Cancan
0000-0002-8606-2274
Faculty of Education, Van Yuzuncu Yıl University, Zeve Campus, Tuşba, 65080, Van, Turkey
mcancan@yyu.edu.tr
10.22034/ecc.2021.284310.1174
Chemical graph theory is one of the dominant branches in graph theory. In this paper, we compute the atom bond connectivity, geometric arithmetic, first K-Banhatti, second K-Banhatti, first K-hyper Banhatti, second K-hyper Banhatti, modified first K-Banhatti, modified second K-Banhatti and harmonic K-Banhatti index via M-polynomial of zig-zag Benzenoid system. We also elaborate the result with graphical representation.
M-polynomial,Zig-zag Benzenoid,Topological indices
https://www.echemcom.com/article_130834.html
https://www.echemcom.com/article_130834_04d7b994a64b5a8ae16c47bdedee10dc.pdf
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
3
6
2021
06
01
Synthesis of novel pyrazole derivatives containing tetrahydrocarbazole, antimicrobail evaluation and molecular properties
425
434
EN
Zahraa
Mohammed
Abd Al-Mohson
000-567-5678-5679
Department of Chemistry, Collage of Science, University of Baghdad, Baghdad, Iraq
zh.mohamed94@gmail.com
10.22034/ecc.2021.284257.1173
In this research, synthesis sequence of novel pyrazole derivatives was carried out by the reaction of cyclohexanone with phenylhydrazine hydrochloride in acid as solvent [THC<sub>Z</sub>] [0]. After that, [THC<sub>Z</sub>] [0] reacted with HgCl<sub>2</sub> to prepare compound [1]. Compound [1] was condensate with chloroacetyl chloride in dry DMSO to give α-Chloro-N-(1,2,3,4-Tetrahydrocarbazole) acetamide to give compound [2] that react with para phenylene diamine to give compound [3]. Followed by diazonium salt preparation, this salt reacts with acetyle acetone to give compound [4]. Finally, compound [4] reacted with hydrazine, phenyl hydrazine and substituted phenyl hydrazine to give pyrazole derivatives [5-9]. To identify the most efficient biologically active compounds, the newly synthesized compounds were tested against different microorganisms to evaluate their anti-microbial activities on bacterial strains, gram-positive bacteria, gram-negative bacteria, and fungal strain.
Tetrahydrocarbazole [THCZ],Pyrazole,Antibacterial Activity,Antifungal activity
https://www.echemcom.com/article_131103.html
https://www.echemcom.com/article_131103_630e9a5520637fabc2f75064052ab438.pdf