eng
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2020-06-01
2
6
646
651
10.33945/SAMI/ECC.2020.6.1
104780
The eccentric connectivity index of polycyclic aromatic hydrocarbons (PAHs)
Mehdi Alaeiyan
alaeiyan@iust.ac.ir
1
Chidambaram Natarajan
natarajan_c@maths.sastra.edu
2
G Sathiamoorthy
sami@maths.sastra.edu
3
Mohammad Reza Farahani
mrfarahani88@gmail.com
4
Department of Mathematics, Iran University of Science and Technology (IUST) Narmak, 16844, Tehran, Iran
Department of Mathematics, Srinivasa Ramanujan Centre, SASTRA Deemed University, Kumbakonam-612 001, India
Department of Mathematics, School of Arts, Science and Humanities, SASTRA Deemed University, Thanjavur-613 401, Tamil Nadu, India
Department of Mathematics, Iran University of Science and Technology (IUST) Narmak, 16844, Tehran, Iran
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 graph,where V(G) is a non-empty set of vertices and E(G) is a set of edges, then the eccentric connectivity index of G (denoted by ξ(G)) was defined as ζ(G)= where dv is the degree of a vertex v and ε(v) is its eccentricity. In this study, we investigated the eccentric connectivity index of polycyclic aromatic hydrocarbons (PAHs).
https://www.echemcom.com/article_104780_02bd41a19d3f49f2d2a96b165b0b625e.pdf
Connected Molecular Graph
eccentric connectivity index
Distance
Polycyclic aromatic hydrocarbons (PAHs)
eng
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2020-06-01
2
6
652
662
10.33945/SAMI/ECC.2020.6.2
104806
Weighted entropy of penta chains graph
Farkhanda Afzal
farkhanda@mcs.edu.pk
1
Mehmona Abdul Razaq
memonarazaq42@gmail.com
2
Deeba Afzal
deebafzal@gmail.com
3
Saira Hameed
saira-hameed@hotmail.com
4
Department of Humanities and Basic Sciences, Military College of Signals, National University of Sciences and Technology, 44000, Islamabad, Pakistan
Department of Mathematics and Statistics, The University of Lahore, 54000, Lahore, Pakistan
Department of Mathematics and Statistics, The University of Lahore, 54000, Lahore, Pakistan
Department of Mathematics, University of the Punjab, 54000, Lahore, Pakistan
Mathematical chemistry is a branch of theoretical chemistry in which we predict the mathematical structure by means of mathematical tools. In past few decades, many studies have been conducted in this area. This theory has cooperated a significant role in the field of chemistry. The main goal of this study is to calculate the weighted entropies of penta chains. We studied the graph entropies with Randić index, Zagreb indices, atom-bond connectivity, augmented Zagreb index, geometric arithmetic index, and sum connectivity index. We obtained the weighted entropies for the graphs formed of concatenated 5-cycles in one rows and in two rows of various lengths.
https://www.echemcom.com/article_104806_a40c8792e4b0e2a0ba86b61954e86fd0.pdf
Molecular Graph
Topological indices
weighted entropy
penta chains
eng
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2020-06-01
2
6
663
671
10.33945/SAMI/ECC.2020.6.3
104851
New results on eccentric connectivity indices of V-Phenylenic nanotube
Zaheer Ahmad
zaheeir@gmail.com
1
Maria Naseem
gcu.maria@gmail.com
2
Muhammad Kamran Jamil
m.kamran.sms@gmail.com
3
Muhammad Kamran Siddiqui
kamransiddiqui75@gmail.com
4
Muhammad Faisal Nadeem
mfaisalnadeem@ymail.com
5
Khwaja Fareed University of Engineering and Information Technology, Rahim Yar Khan, Pakistan
Abdus Salam School of Mathematical Sciences, GC University, Lahore, Pakistan
Department of Mathematics, Riphah Institute of Computing and Applied Sciences (RICAS), Riphah International University, Lahore, Pakistan
Department of Mathematics, Comsats University Islamabad Lahore Campus
Department of Mathematics, Comsats University Islamabad Lahore Campus
Topological index is a type of molecular descriptor calculated based on the molecular graph of a chemical compound. Topological indices are used for developing the quantitative structure activity relationships (QSARs) in which the biological activity or other properties of the molecules are correlated with their chemical structure. Eccentric connectivity indices are the well-known topological indices in this regards. In this research study, we computed some eccentric connectivity indices of the V-Phenylenic nanotube VPHX[p;q], these are our results.
https://www.echemcom.com/article_104851_b4ffd42394fce3595c82a8460fefaf39.pdf
Molecular Graph
Eccentricity
ediz eccentric connectivity index
Augmented eccentric connectivity index
V-Phenylenic nanotube VPHX[p
q]
eng
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2020-06-01
2
6
672
679
10.33945/SAMI/ECC.2020.6.4
105097
Computation of bond incident degree (BID) indices of complex structures in drugs
Jia-Bao Liu
liujiabaoad@163.com
1
Abdul Qudair Baig
aqbaig1@gmail.com
2
Muhammad Imran
m.imran658@uaeu.ac.ae
3
Waqas Khalid
waqas.khalid38@gmail.com
4
Muhammad Saeed
msaeed42091@gmail.com
5
Mohammad Reza Farahani
mrfarahani88@gmail.com
6
School of Mathematics and Physics, Anhui Jianzhu University, Hefei 230601, P.R. China
Department of Mathematics, COMSATS Institute of Information Technology, Attock, Pakistan
Department of Mathematical Sciences, United Arab Emirates University, P.O. Box 15551, Al Ain, United Arab Emirates
Department of Mathematics, COMSATS Institute of Information Technology, Attock, Pakistan
Department of Basic Sciences, Riphah International University, Islamabad, Pakistan
Department of Applied Mathematics, Iran University of Science and Technology (IUST), Narmak,Tehran 16844, Iran
The molecular topological descriptors are the numerical in-variants of a molecular graph and are very useful and efficient to predict their bioactivity. Dendrimers are highly branched organic macro-molecules with successive layers or generations of branch units surrounding a central core and have many applications in biology, medicine and drug designs. These are key molecules in nanotechnology and can be put to good use. A great variety of such indices are studied and used in theoretical chemistry and pharmaceutical researchers. Among them, a large number of indices depend only on vertex degrees of the molecular graph. A considerable amount of these vertex-degree-based topological indices can be represented as the sum of edge contributions of graph. These kind of vertex-degree-based topological indices are known as bond incident degree (BID) indices. In this paper, we determine the bond incident degree indices of complex structures in drugs called nanostar dendrimers and compute the closed formula for these indices.
https://www.echemcom.com/article_105097_031fabd4e963ed1441ca66da6f9c9ed8.pdf
molecular structure descriptor
Bond incident degree index
Nanostar dendrimers
Drug
eng
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2020-06-01
2
6
680
687
10.33945/SAMI/ECC.2020.6.5
105098
On molecular topological descriptors of certain families of nanostar dendrimers
Muhammad Imran
imrandhab@gmail.com
1
Syed Ahtsham Ul Haq Bokhary
sihtsham@gmail.com
2
Sadia Manzoor
mamsadia@gmail.com
3
Muhammad Kamran Siddiqui
kamransiddiqui75@gmail.com
4
Department of Mathematical Sciences, United Arab Emirates University P.O Box 17551 Al Ain, United Arab Emirates
Centre for Advanced Studies in Pure and Applied Mathematics, Bahauddin Zakariya University, Multan, Pakistan
Centre for Advanced Studies in Pure and Applied Mathematics, Bahauddin Zakariya University, Multan, Pakistan
Department of Mathematics, Comsats Institute of Information Technology, Sahiwal, Pakistan
In this article, we study the degree based molecular topological indices for some infinite families of Nanostar Dendrimers. We derive the analytical closed formulae for these classes of complex chemical networks. These results are very helpful in understanding and predicting the physico-chemical properties for these chemical structures (Nanostar dendrimers NS2[n], NS3[n], D2[n]).
https://www.echemcom.com/article_105098_a2a23a119c64be7eeac377c4843206cd.pdf
Atom-bond connectivity index
Geometric-arithmetic index
Nanostar dendrimer
QSAR/QSPR studies
eng
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2020-06-01
2
6
688
701
10.33945/SAMI/ECC.2020.6.6
105234
Phosphomolybdic acid immobilized chitosan/Fe3O4: an efficient catalyst for the N-alkylation of anilines
Mahdi Ghanimati
mghanimati@yahoo.com
1
Masumeh Abdoli-Senejani
abdoli1356@yahoo.com
2
Mohammad Ali Bodaghifard
mbodaghi2007@yahoo.com
3
Tahere Momeni Isfahani
t.momeni.es@gmail.com
4
Department of Chemistry, Arak Branch, Islamic Azad University, Arak, Iran
Department of Chemistry, Arak Branch, Islamic Azad University, Arak, Iran
Department of Chemistry, Faculty of Science, Arak University, 38156-88349, Arak, Iran
Department of Chemistry, Arak Branch, Islamic Azad University, Arak, Iran
In this work, phosphomolybdic acid immobilized on chitosan/Fe3O4 as a green catalyst was used for the Hofmann N-alkylation of aniline derivatives with alcohols. H3PMo12O40/chitosan/Fe3O4 (PMo/Chit/Fe3O4) was prepared from the phosphomolybdic acid, chitosan, and Fe3O4 MNPs. Several secondary amines were synthesized from primary arylamines with electron‐donating, electron‐withdrawing groups, and alcohols in good to excellent yields. The catalyst could be separated using an external magnet and recovered without reducing its catalytic activity. The optimization of the reaction conditions was evaluated using the response surface method (RSM), involving the Box-Behnken design matrix. The simple procedure, only one byproduct (i.e., water), good to excellent yields, easy separation of the catalyst, short reaction times, and environmentally benign conditions were some advantages of this method.
https://www.echemcom.com/article_105234_cb2ccbe1dc0887aad6adfa71135c71b8.pdf
Hofmann N-alkylation
Heterogeneous catalyst
Heteropolyacids
Chitosan
Design of experiment
Green chemistry
eng
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2020-06-01
2
6
702
711
10.33945/SAMI/ECC.2020.6.7
105259
Nano-molar level determination of isoprenaline in pharmaceutical and clinical samples; A nanostructure electroanalytical strategy
Sareh Sadat Moshirian-Farahi
sare.moshirian@gmail.com
1
Hassan Ali Zamani
haszamani@yahoo.com
2
Mohamadreza Abedi
abedi@iauq.ac.ir
3
Department of Applied Chemistry, Mashhad Branch, Islamic Azad University, Mashhad, Iran
Department of Applied Chemistry, Mashhad Branch, Islamic Azad University, Mashhad, Iran
Department of Applied Chemistry, Quchan Branch, Islamic Azad University, Quchan, Iran
A high sensitive electroanalytical-based sensor for determination of isoprenaline was fabricated by modification of carbon paste electrode (CPE) by NiO-Pt-Pd/CNTs composite as conductive mediator and n-hexyl-3-methylimidazolium hexafluoro phosphate (NHIHP) as conductive binder. The NHIHP/NiO-Pt-Pd/CNTs/CPE was improved the oxidation signal of isoprenaline ⁓3.47 times and reduced oxidation over-potential of drug ⁓180 mV. The pH investigation confirmed that redox behavior of isoprenaline is depended of pH solution with equal value of electron and proton in redox mechanism. The NHIHP/NiO-Pt-Pd/CNTs/CPE was successfully used for determination of isoprenaline in the concertation range 0.003-300 µM with detection limit 0.9 nM by square wave voltammetric method. The standard addition results showed powerful ability of NHIHP/NiO-Pt-Pd/CNTs/CPE as an electroanalytical tool for determination of isoprenaline in the pharmaceutical and clinical samples with recovery data 98.76-105.06%.
https://www.echemcom.com/article_105259_d0d00afd36160ca3eb803f6c83942244.pdf
Isoprenaline
NiO-based composite
Nanostructure sensor
Modified carbon paste electrode
Drug sensor
eng
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2020-06-01
2
6
712
721
10.33945/SAMI/ECC.2020.6.8
105261
Eccentric connectivity indices of titania nanotubes TiO2[m;n]
Zaheer Ahmad
zaheeir@gmail.com
1
Maria Naseem
gcu.maria@gmail.com
2
Muhammad Kamran Jamil
m.kamran.sms@gmail.com
3
Shaohui Wang
shaohuiwang@yahoo.com
4
Muhammad Faisal Nadeem
mfaisalnadeem@ymail.com
5
Khwaja Fareed University of Engineering and Information Technology, Rahim Yar Khan, Pakistan
Abdus Salam School of Mathematical Sciences, GC University, Lahore, Pakistan
Department of Mathematics, Riphah Institute of Computing and Applied Sciences (RICAS), Riphah International University, Lahore, Pakistan
Department of Mathematics, Louisiana College, Pineville, LA 71359, USA
Department of Mathematics COMSATS University Islamabad Lahore Campus
The eccentric connectivity index ECI is a chemical structure descriptor that is currently being used for modeling of biological activities of a chemical compound. This index has been proved to provide a high degree of predictability compared to some other well-known indices in case of anticonvulsant, anti-inflammatory, and diuretic activities. The ECI of an infinite class of 1-polyacenic (phenylenic) nanotubes has been recently studied. In this study, we computed Ediz eccentric index and augmented eccentric connectivity index of Titania nanotube TiO2[m;n].
https://www.echemcom.com/article_105261_9fbba19d2d3e9ae37cbbd7ddb2fc6b80.pdf
Molecular graph, Eccentricity, Ediz eccentric connectivity index, Augmented eccentric connectivity index, Titania nanotubes TiO2[m
n]
eng
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2020-06-01
2
6
722
730
10.33945/SAMI/ECC.2020.6.9
105434
Improving the separation process of fine particles in drilling mud by ultrasonic waves
Amin Amraei
aminamraei54@yahoo.com
1
Afshin Akbari Dehkharghani
afshinkr@gmail.com
2
Petroleum, Mining and Material Engineering Department, Islamic Azad University, Central Tehran Branch, Tehran, Iran
Petroleum, Mining and Material Engineering Department, Islamic Azad University, Central Tehran Branch, Tehran, Iran
Aggregation of solid particles in the drilling fluid has adverse effects on the drilling performance, including blocking drilling pipe, reducing fluid lubrication, and the blowout action. The purpose of this study was to prepare a solution for breaking the adhesion forces between the suspended solids and drilling fluid molecules. To investigate the effect of the ultrasonic waves on the separation of solid particles from reversed emulsion fluid, in vitro studies were conducted. Drilling mud was prepared in the form of different samples and the samples were then irradiated with ultrasonic waves for 2, 5, and 10 min and the intensities of 50, 100, and 150 W/m2. To evaluate the stability of the emulsions and the efficiency of the separation process, caliper (volumetric) and density measurement methods were utilized. The results revealed increased time and intensity of the ultrasonic radiation separates the phases and fine particles from the emulsion, and also increased the stability of reversed emulsion. The increased radiation time and intensity did not have any effect on the drilling mud and only delayed the optimal operation time and energy consumption.
https://www.echemcom.com/article_105434_723492ed3c907fec3c551e521c46425c.pdf
Drilling Fluid
Reverse emulsion
ultrasonic
eng
Sami Publishing Company (SPC)
Eurasian Chemical Communications
2717-0535
2676-6280
2020-06-01
2
6
731
738
10.22034/ecc.2020.105442
105442
Study of some topological invariants of subdivided mk graphs
Farkhanda Afzal
farkhanda@mcs.edu.pk
1
Mustafa Naeem
mustafanaeem188@gmail.com
2
Faryal Chaudhry
chaudhryfaryal@gmail.com
3
Deeba Afzal
deebafzal@gmail.com
4
Department of Humanities and Basic Sciences, Military College of Signals, National University of Sciences and Technology, 44000, Islamabad Pakistan
Department of Mathematics and Statistics, The University of Lahore, 54000, Lahore, Pakistan
Department of Mathematics and Statistics, The University of Lahore, 54000, Lahore, Pakistan
Department of Mathematics and Statistics, The University of Lahore, 54000, Lahore, Pakistan
An mk-graph of a graph G can be defined by taking m≥2 copies G1,..., Gm of a graph G in which every vertex ut of copy Gt is adjacent to a corresponding vertex vs of copy Gs. An mk-graph is represented by mk(G). In this research study, we discussed some degree based topological indices (connectivity indices) of subdivided mk-graph generated by path graph and comb graph. The closed formulas for computing various degree based topological indices of subdivided mk-graphs were presented.
https://www.echemcom.com/article_105442_98cf27f55d55d6d48c6b67fb2e3ccd6e.pdf
Molecular Graph
Mk-graph
Path graph
Comb graph
second Zagreb index
Augmented Zagreb index