Muhammad Kamran Jamil

Characteristics studies of molecular structures in drugs

In theoretical medicine, topological indices are defined to test the medicine and pharmacy characteristics, such as melting point, boiling point, toxicity and other biological activities. As basic molecular structures, hexagonal jagged-rectangle and distance-regular structure are widely appeared in medicine, pharmacy and biology engineering. In this paper, we study the chemical properties of hexagonal jagged-rectangle from the mathematical point of view. Several vertex distance-based indices are determined. Furthermore, the Wiener related indices of distance-regular structure are also considered.

Forgotten topological index of chemical structure in drugs

A massive of early drug tests implies that there exist strong inner relationships between the bio-medical and pharmacology characteristics of drugs and their molecular structures. The forgotten topological index was defined to be used in the analysis of drug molecular structures, which is quite helpful for pharmaceutical and medical scientists to grasp the biological and chemical characteristics of new drugs. Such tricks are popularly employed in developing countries where enough money is lacked to afford the relevant chemical reagents and equipment. In our article, by means of drug molecular structure analysis and edge dividing technology, we present the forgotten topological index of several widely used chemical structures which often appear in drug molecular graphs.

Kinetic modeling of pyrolysis of three Iranian waste oils in a micro-fluidized bed

ABSTRACT Different approaches have been used to convert the waste materials into a clean syngas or other chemicals such as methanol. Among them, pyrolysis is a good candidate to produce the synthesis gas and volatile matters for industrial and refinery applications. In this work, we studied the kinetic and chemical behavior of three Iranian waste oils through a kinetic model and an experimental study. The experiments carried out in a micro-FB reactor, which is a good option for low emissions. Results showed that the reaction temperature and reaction rate are two of the most important factors for maximum conversion level of fuel. Results also showed an optimum value for reaction rate. The modeling results validated against the experimental measurements and found to be in good agreements.

Sharp Bounds of the Hyper-Zagreb Index on Acyclic, Unicylic, and Bicyclic Graphs

The hyper-Zagreb index is an important branch in the Zagreb indices family, which is defined as , where is the degree of the vertex in a graph . In this paper, the monotonicity of the hyper-Zagreb index under some graph transformations was studied. Using these nice mathematical properties, the extremal graphs among -vertex trees (acyclic), unicyclic, and bicyclic graphs are determined for hyper-Zagreb index. Furthermore, the sharp upper and lower bounds on the hyper-Zagreb index of these graphs are provided.

Electron Energy Studying of Molecular Structures via Forgotten Topological Index Computation

It is found from the earlier studies that the structure-dependency of total -electron energy heavily relies on the sum of squares of the vertex degrees of the molecular graph. Hence, it provides a measure of the branching of the carbon-atom skeleton. In recent years, the sum of squares of the vertex degrees of the molecular graph has been defined as forgotten topological index which reflects the structure-dependency of total -electron energy and measures the physical-chemical properties of molecular structures. In this paper, in order to research the structure-dependency of total -electron energy , we present the forgotten topological index of some important molecular structures from mathematical standpoint. The formulations we obtained here use the approach of edge set dividing, and the conclusions can be applied in physics, chemical, material, and pharmaceutical engineering.

The Wiener Index and the Hosoya Polynomial of the Jahangir Graphs

Let G be a simple connected graph having vertex set V and edge set E. The vertex-set and edge-set of G denoted by V(G) and E(G), respectively. The length of the smallest path between two vertices is called the distance. Mathematical chemistry is the area of research engaged in new application of mathematics in chemistry. In mathematics chemistry, we have many topological indices for any molecular graph, that they are invariant on the graph automorphism. In this research paper, we computing the Wiener index and the Hosoya polynomial of the Jahangir graphs

Topological aspects of some dendrimer structures

J_5,m

Some Generalized Intuitionistic Fuzzy Einstein Hybrid Aggregation Operators and Their Application to Multiple Attribute Group Decision Making

for all integer number

Kinetic modeling of biomass gasification in a micro fluidized bed

m \geq 3

The Redefined First, Second and Third Zagreb Indices of Titania Nanotubes TiO2[m,n]

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