scholarly journals Computing Bounds for General Randic Coindex of Sum Graphs

2021 ◽  
Vol 2021 ◽  
pp. 1-17
Author(s):  
Muhammad Javaid ◽  
Muhammad Ibraheem ◽  
Ebenezer Bonyah
Keyword(s):  
Molecular Structure ◽  
Surface Tension ◽  
Graph Theory ◽  
Melting Point ◽  
Structural Properties ◽  
Boiling Point ◽  
Topological Index ◽  
Molecular Structures ◽  
Mathematical Formula ◽  
Numerical Table

The physical and structural properties of molecular structure or graph such as boiling point, melting point, surface tension, or solubility are studied using topological index (TI). Topological index is a mathematical formula that can be applied to any graph which models some molecular structures. The various operations play an important role in graph theory such as joining, union, intersection, products, and subdivision. In this paper, we computed the bounds for general Randic coindex of F -sum graphs such as ( S -sum, R -sum, Q -sum, and T -sum) in the form of their factor graphs. At the end, results are illustrated by numerical table for the particular F -sum graphs.

scholarly journals Forgotten Topological Index of Line Graphs of Some Chemical Structures in Drugs

2018 ◽  
Vol 26 (2) ◽  
pp. 181-206
Author(s):  
Gul E Mehak ◽  
Akhlaq Ahmad Bhatti
Keyword(s):  
Molecular Structure ◽  
Theoretical Basis ◽  
Topological Index ◽  
Molecular Structures ◽  
New Drugs ◽  
Chemical Characteristics ◽  
Line Graphs ◽  
Pharmacological Properties ◽  
Chemical Structures ◽  
Molecular Structure Analysis

Abstract A large number of drug experiments revealed that there exists strong inherent relation between the drugs molecular structures and the bio-medical and pharmacology characteristics. Due to the effectiveness for pharmaceutical and medical scientists of their ability to grasp the biological and chemical characteristics of new drugs, forgotten topological index was defined to analyze the drug molecular structures. This index is applicable for testing the chemical and pharmacological properties of drug molecular structures that can make up for lack of chemical experiments and can provide a theoretical basis for the manufacturing of drugs which is widely welcomed in developing areas. In this paper, based on the drug molecular structure analysis and vertex dividing technique with respect to their degrees, we present the forgotten topological index of the line graphs of several popular chemical structures which is quite common in drug molecular graphs.

scholarly journals Topological study of the para-line graphs of certain pentacene via topological indices

2018 ◽  
Vol 16 (1) ◽  
pp. 1200-1206 ◽  
Author(s):  
Zeeshan Saleem Mufti ◽  
Muhammad Faisal Nadeem ◽  
Wei Gao ◽  
Zaheer Ahmad
Keyword(s):  
Molecular Structure ◽  
Real Number ◽  
Chemical Structure ◽  
Topological Index ◽  
Line Graph ◽  
Chemical Properties ◽  
Topological Indices ◽  
Molecular Structures ◽  
Line Graphs ◽  
Graph Invariant

AbstractA topological index is a map from molecular structure to a real number. It is a graph invariant and also used to describe the physio-chemical properties of the molecular structures of certain compounds. In this paper, we have investigated a chemical structure of pentacene. Our paper reflects the work on the following indices:Rα, Mα, χα, ABC, GA, ABC4, GA5, PM1, PM2, M1(G, p)and M1(G, p) of the para-line graph of linear [n]-pentacene and multiple pentacene.

scholarly journals The Vertex Version of Weighted Wiener Number for Bicyclic Molecular Structures

2015 ◽  
Vol 2015 ◽  
pp. 1-10 ◽  
Author(s):  
Wei Gao ◽  
Weifan Wang
Keyword(s):  
Melting Point ◽  
Structural Analysis ◽  
Boiling Point ◽  
Molecular Graph ◽  
Chemical Compounds ◽  
Molecular Structures ◽  
Strongly Correlated ◽  
Compound A ◽  
Wiener Number ◽  
Theoretical Results

Graphs are used to model chemical compounds and drugs. In the graphs, each vertex represents an atom of molecule and edges between the corresponding vertices are used to represent covalent bounds between atoms. We call such a graph, which is derived from a chemical compound, a molecular graph. Evidence shows that the vertex-weighted Wiener number, which is defined over this molecular graph, is strongly correlated to both the melting point and boiling point of the compounds. In this paper, we report the extremal vertex-weighted Wiener number of bicyclic molecular graph in terms of molecular structural analysis and graph transformations. The promising prospects of the application for the chemical and pharmacy engineering are illustrated by theoretical results achieved in this paper.

scholarly journals Topological Study of Zeolite Socony Mobil-5 via Degree-Based Topological Indices

2021 ◽  
Vol 2021 ◽  
pp. 1-13
Author(s):  
Nouman Saeed ◽  
Kai Long ◽  
Tanweer Ul Islam ◽  
Zeeshan Saleem Mufti ◽  
Ayesha Abbas
Keyword(s):  
Graph Theory ◽  
Melting Point ◽  
Topological Index ◽  
Hydrophobic Surface ◽  
Topological Indices ◽  
Discrete Mathematics ◽  
First Zagreb Index ◽  
Zagreb Index ◽  
Point Density ◽  
Abc Index

Graph theory is a subdivision of discrete mathematics. In graph theory, a graph is made up of vertices connected through edges. Topological indices are numerical parameters or descriptors of graph. Topological index tells the symmetry of compound and helps us to compare those mathematical values, with boiling point, melting point, density, viscosity, hydrophobic surface area, polarity, etc., of that compound. In the present research paper, degree-based topological indices of Zeolite Socony Mobil-5 are calculated. Names of those topological indices are Randić index, first Zagreb index, general sum connectivity index, hyper-Zagreb index, geometric index, ABC index, etc.

scholarly journals Molecular Energy Concept of Substances Unpacking

2021 ◽  
pp. 8-12
Author(s):  
Gennadiy Gasimovich Haydarov ◽  
Andrey Gennadyevich Haydarov
Keyword(s):  
Surface Tension ◽  
Melting Point ◽  
Critical Point ◽  
Internal Energy ◽  
Boiling Point ◽  
Physical Nature ◽  
Melting Process ◽  
Condensation Process ◽  
Energy Concept ◽  
Published Evidence

This article brings together previously published evidence of the unified nature of physical processes and phenomena in terms of changes in the energy of a substance molecule. The unified physical nature of all these physical phenomena has been proven, as a single multistage process of energetic unpacking of molecules of a substance, which is logical to call the molecular-energy concept of unpacking a substance. The considered processes include the following processes. Surface rupture, characterized by the surface tension coefficient. The melting process of a substance characterized by its melting point. A boiling process characterized by the boiling point. Evaporation (and condensation) process characterized by internal energy and enthalpy as well as critical point. The conclusions of the theory are confirmed by well-known empirical dependences and by reference books of the physical properties of simple substances: internal energy, enthalpy, surface tension, melting point, boiling point and critical point.

scholarly journals On Some Properties of Multiplicative Topological Indices in Silicon-Carbon

2021 ◽  
Vol 2021 ◽  
pp. 1-10
Author(s):  
Abid Mahboob ◽  
Sajid Mahboob ◽  
Mohammed M. M. Jaradat ◽  
Nigait Nigar ◽  
Imran Siddique
Keyword(s):  
Graph Theory ◽  
Structural Properties ◽  
Topological Index ◽  
Molecular Graph ◽  
Chemical Compounds ◽  
Google Maps ◽  
Chemical Graph ◽  
Zagreb Indices ◽  
Silicon Carbon ◽  
Connectivity Indices

The use of graph theory can be visualized in nanochemistry, computer networks, Google maps, and molecular graph which are common areas to elaborate application of this subject. In nanochemistry, a numeric number (topological index) is used to estimate the biological, physical, and structural properties of chemical compounds that are associated with the chemical graph. In this paper, we compute the first and second multiplicative Zagreb indices ( M 1 G and ( M 1 G )), generalized multiplicative geometric arithmetic index ( GA α II G ), and multiplicative sum connectivity and multiplicative product connectivity indices ( SCII G and PCII G ) of SiC 4 − I m , n and SiC 4 − II m , n .

scholarly journals A Raman, SERS and UV-circular dichroism spectroscopic study of N-acetyl-l-cysteine in aqueous solutions

2019 ◽  
Vol 43 (38) ◽  
pp. 15201-15212 ◽  
Author(s):  
R. A. Cobos Picot ◽  
M. Puiatti ◽  
A. Ben Altabef ◽  
R. J. G. Rubira ◽  
S. Sanchez-Cortes ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Circular Dichroism ◽  
Aqueous Solutions ◽  
Spectroscopic Study ◽  
Electronic Properties ◽  
Structural Properties ◽  
Amine Groups ◽  
Circular Dichroïsm

The aim of this work is to evaluate the vibrational and structural properties of N-acetyl-l-cysteine (NAC), and its molecular structure and electronic properties in relation to the action of thiol and amine groups at different pH.

Metaphoric chains

2021 ◽  
Vol 19 (2) ◽  
pp. 273-298
Author(s):  
Sakineh Navidi-Baghi ◽  
Ali Izanloo ◽  
Alireza Qaeminia ◽  
Alireza Azad
Keyword(s):  
Molecular Structure ◽  
Conceptual Metaphor ◽  
Previous Literature ◽  
Molecular Structures ◽  
Conceptual Metaphor Theory ◽  
Metaphor Theory ◽  
Different Types ◽  
New Form

Abstract The molecular structure of a complex metaphor comprises two or more atomic metaphorical parts, known as primary metaphors. In the same way, several molecular structures of metaphors may combine and form a mixture, known as mixed metaphors. In this study, different types of metaphoric integrations are reviewed and illustrated in figures to facilitate understanding the phenomena. Above all, we introduce double-ground metaphoric chain, a new form of metaphoric integration that has not been identified in the previous literature. Also, a distinction is made between single-ground and double-ground metaphoric chains. In the former, which has already been introduced, two basic metaphors are chained with the same form and have the same ground, while the latter includes two chained metaphors, one main metaphor plus a supportive one, with different grounds. In this analysis, we benefited from Conceptual Metaphor Theory (CMT) to analyse double-ground metaphoric chains. This study suggests that each metaphoric integration leads to a multifaceted conceptualization, in which each facet is related to one of the constituent micro-metaphors.

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