Original Research Article
Analytical chemistry
Maryam Pirozmand; Azizallah Nezhadali; Mahmood Payehghadr; Lotfali Saghatforoush
Abstract
A novel chemically modified carbon paste electrode (CMCPE) impregnated with 4′-(4-chlorophenyl)-2,2′:6′,2′′-terpyridine ligand was prepared and applied for voltammetric determination of Cd2+ ion in petrochemical samples. The effects of pH, ligand amount and supporting electrolyte ...
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A novel chemically modified carbon paste electrode (CMCPE) impregnated with 4′-(4-chlorophenyl)-2,2′:6′,2′′-terpyridine ligand was prepared and applied for voltammetric determination of Cd2+ ion in petrochemical samples. The effects of pH, ligand amount and supporting electrolyte on the selective adsorption properties for the Cd2+ ion were explored. The sensor displayed substantially good resistance against interfering agents. In the presence of a large excess of Na+, K+, Ca2+, Mg2+ and Pb2+, the adsorption capacity for Cd2+ was slightly changed, suggesting the high selectivity of CMCPE for Cd2+ions. The parameters controlling the response of the electrode were investigated. The limit of detection (LOD) and relative standard deviation (n = 5) were obtained by 3.77 ng/Land 0.45%, respectively. The preconcentration procedure revealed a linear curve within the concentration range of 4 – 3000 ng/L and a good linearity with squared correlation coefficient of (R2) 0.9988 was achieved. The CV was run starting from –1.5 V to 0.0 V and back (Scan rate: 100 mV/s). The best ratio of the Cd2+-Ligand in carbon paste was 8% (w/w) for a good detection of Cd2+ ions. Optimum pH for maximum adsorption was 4.0 ±0.2. All the instrumental parameters involved in the analytical procedure were optimized. The study was accomplished in Britton–Robinson (B-R) buffer solution of 2 ng/mL Cd2+ ions. The optimal values of scan rate, pulse amplitude, pulse time, voltage step, voltage step time, deposition potential and deposition time were obtained 100 mV/s, 0.20 V, 0.04 s, 0.005 V, 1.2 s, – 0.95 V and 150 s, respectively.
Original Research Article
Methematical Chemistry
Raad Sehen Haoer; Mohanad Ali Mohammed; Natarajan Chidambaram
Abstract
The 2-degree of a vertex v of a simple graph G is the number of vertices which are at distance two from v in G and is denoted by d2(v). In this article, we compute exact values of a recent eccentricity-based topological index called Leap eccentric connectivity index (LECI), which is defined as the sum ...
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The 2-degree of a vertex v of a simple graph G is the number of vertices which are at distance two from v in G and is denoted by d2(v). In this article, we compute exact values of a recent eccentricity-based topological index called Leap eccentric connectivity index (LECI), which is defined as the sum of product of 2-degree and eccentricity of every vertex in G, for some special classes of thorny graphs namely, thorny complete graph, thorny complete bipartite graph, thorny cycles and thorny paths. Also we discuss some of its applications in chemical structures such as cyclo-alkanes.
Review Article
Neurochemical Research
Shahrbanoo Ghodrati-Jaldbakhan; Nasrollah Moradi-kor; Masoomeh Dadkhah
Abstract
Chronic exposure to stress has been demonstrated to increase the risk of developing neuropsychiatric disorders. Given the importance of effective therapeutic ways to overcome stress-related deficits,the present review focused on the therapeutic effects of environmental enrichment (EE) against chronic ...
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Chronic exposure to stress has been demonstrated to increase the risk of developing neuropsychiatric disorders. Given the importance of effective therapeutic ways to overcome stress-related deficits,the present review focused on the therapeutic effects of environmental enrichment (EE) against chronic stress-induced cognitive-behavioral impairments. Chronic stress exposure has been shown to modify neuronal function and morphology in corticolimbic structures such as the prefrontal cortex (PFC), hippocampus, and amygdala, three brain regions greatly involved in mood regulation, fear processing, and cognition. It has been reported that chronic stress reduces brain-derived neurotrophic factor (BDNF) levels and its mRNA expression on the PFC, suggesting that downregulation of BDNF is a possible mechanism that mediates the effect of stress on anxiety or depression-like behaviors. There is an increasing demand for findings of effective intervention methods for alleviating the detrimental effects of chronic stress. EE is a beneficial intervention for improving anxiety and depression-like behaviors. A large body of research revealed that exposure to EE improves several conditions, including degenerative diseases, epilepsy, traumatic brain injury, anxiety, and depression. This article will provide an overview by discussing the influences of chronic stress on cognitive function and beneficial therapeutic effects of environmental enrichment (EE) against chronic stress.
Original Research Article
Computational Chemistry
Nabi Javadi; Sepideh Habibzadeh; Mohammadreza Aallaei; Koroush Adib; Seyed Mahdi Atifeh
Abstract
In the pharmaceutical industry, there is a special interest in the resolution of chiral compounds to obtain enantiopure drugs. Conglomerate mixture is of considerable interest, since it corresponds to the possibility of spontaneous resolution of the two enantiomers. The aim of this paper was to find ...
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In the pharmaceutical industry, there is a special interest in the resolution of chiral compounds to obtain enantiopure drugs. Conglomerate mixture is of considerable interest, since it corresponds to the possibility of spontaneous resolution of the two enantiomers. The aim of this paper was to find the achiral anions causing the conglomerate formation of Ketamine salts.For this purpose, the effect of 7 anion (X) on the heterochiral structure of Ketamine enantiomers salts was studied by Material Studio software.The crystal structures of all systems were determined by quantum calculations of CASTEP module. The investigation of the crystal structures and their respective energy showed that Ketamine salts, formed by Fumaric acid and Succinic acid, crystalized as conglomerate, favoring preferential crystallization. The AIM results confirmed the more stability of conglomerate crystal in these cases while in the presence of other salting agents as Oxalic acid, Formic acid, Carbonic acid, Acetic acid and Hydrochloric acid, racemic crystal form was calculated as the more stable crystal. Using the Forcite module, the total energy of the crystalline systems, calculated as the sum of the energies of the bonded and non-bonded interactions, are in agreement with those predicted by CASTEP module and AIM calculations.
Original Research Article
Methematical Chemistry
Mohanad Ali Mohammed; Hasan H Mushatet; Nilanjan De
Abstract
The eccentricity version F-index of a graph G is defined as the summation of cube of all the vertex eccentricities of G. In this report, the eccentricity version of F-index of the generalized hierarchical product of graphs was computed. Further, we obtained some explicit expressions of eccentricity version ...
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The eccentricity version F-index of a graph G is defined as the summation of cube of all the vertex eccentricities of G. In this report, the eccentricity version of F-index of the generalized hierarchical product of graphs was computed. Further, we obtained some explicit expressions of eccentricity version of F-index for S-sum graphs, Cartesian product graphs and cluster product graphs. Hence applying those outcomes, we arrived at the eccentricity version of F-index for Chemical graphs and nanostructures.
Original Research Article
Methematical Chemistry
Mohanad Ali Mohammed; Ameer J Munshid; Hafiz Muhammad Afzal Siddiqui; Mohammad Reza Farahani
Abstract
Metric dimension dim(G) and portion dimension pd(G) are usually related as pd(G)≤dim(G)+1. However, if the partition dimension is significantly smaller than the metric dimension, then it is termed as discrepancy. This paper mainly deals with metric dimension and partition dimension of tessellation ...
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Metric dimension dim(G) and portion dimension pd(G) are usually related as pd(G)≤dim(G)+1. However, if the partition dimension is significantly smaller than the metric dimension, then it is termed as discrepancy. This paper mainly deals with metric dimension and partition dimension of tessellation of plane by boron nanosheets. It has been proved that there is a discrepancy between the mentioned parameters of the boron nanosheets. Moreover, some induced subgraphs of the stated sheets have been considered for the study of their metric dimension.
Original Research Article
Methematical Chemistry
Abdul Qudair Baig; Adnan Amin; Mohammad Reza Farahani; Muhammad Imran; Murat Cancan; Mehmet Serif Aldemir
Abstract
A topological index of G is a quantity related to G that characterizes its topology. Properties of the chemical compounds and topological invariants are related to each other. In this paper, we derive the algebraic polynomials including first and second Zagreb polynomials, and forgotten polynomial for ...
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A topological index of G is a quantity related to G that characterizes its topology. Properties of the chemical compounds and topological invariants are related to each other. In this paper, we derive the algebraic polynomials including first and second Zagreb polynomials, and forgotten polynomial for p m+Fp m. Further, we worked on the hyper-Zagreb, first and second multiple Zagreb indices, and forgotten index of these graphs. Consider the molecular graph with atoms to be taken as vertices and bonds can be shown by edges. For such graphs, we can determine the topological descriptors showing their bioactivity as well as their physiochemical characteristics. Moreover, we derive graphical representation of our outcomes, depicting the technical dependence of topological indices and polynomials on the involved structural parameters.
Original Research Article
Methematical Chemistry
Farkhanda Afzal; Sidra Razaq; Mehmoona Abdul Razaq; Murat Cancan; Mehmet Serif Aldemir
Abstract
The entropy of a graph is a functional depending both on the graph itself and on a probability distribution on its vertex set. This graph functional originated from the problem of source coding in information theory and was introduced by J. Krner in 1973. Although the notion of graph entropy has its ...
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The entropy of a graph is a functional depending both on the graph itself and on a probability distribution on its vertex set. This graph functional originated from the problem of source coding in information theory and was introduced by J. Krner in 1973. Although the notion of graph entropy has its roots in information theory, it was proved to be closely related to some classical and frequently studied graph theoretic concepts. In this article, we obtained the graph entropy with Randić, geometric-arithmetic, harmonic, first Zagreb, second Zagreb, atom bond connectivity, sum connectivity index and augmented Zagreb indices for Zig-Zag chain of 8-cycles molecular graph.
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