scholarly journals ON COMPUTATION OF NEW DEGREE-BASED TOPOLOGICAL INDICES OF SILICATE CHAIN GRAPH

Author(s):  
Rachanna Kanabur ◽  
S.K. Giregol ◽  
Anand Jirli ◽  
Iranna M. Chanal

The Arithmetic-Geometric index (AG1 index), SK index, SK1 index, SK2 indices of a graph G was introduced by V. S. Shigehalli and R. R. Kanabur. These topological indices explain the modeling of various physico-chemical, biological and pharmacological properties of organic molecules in chemistry and explains studies of various results on Silicate Chain Graph.

Mathematics ◽  
2019 ◽  
Vol 7 (3) ◽  
pp. 283 ◽  
Author(s):  
Jianzhong Xu ◽  
Jia-Bao Liu ◽  
Ahsan Bilal ◽  
Uzma Ahmad ◽  
Hafiz Muhammad Afzal Siddiqui ◽  
...  

Topological indices are numerical values associated with a graph (structure) that can predict many physical, chemical, and pharmacological properties of organic molecules and chemical compounds. The distance degree (DD) index was introduced by Dobrynin and Kochetova in 1994 for characterizing alkanes by an integer. In this paper, we have determined expressions for a DD index of some derived graphs in terms of the parameters of the parent graph. Specifically, we establish expressions for the DD index of a line graph, subdivision graph, vertex-semitotal graph, edge-semitotal graph, total graph, and paraline graph.


Author(s):  
Rachanna Kanabur ◽  
S. K. Giregol ◽  
Basavaraj M. Koujalagi ◽  
Edake Yogesh Sidaraya

Throughout this paper simple and undirected graphs are considered. Let G = (V,E) be such a graph. The structure of a chemical compound can be represented by a graph whose vertex and edge specify the atom and bonds respectively. In this paper we compute certain topological indices of silicate chain.


2020 ◽  
Vol 16 (2) ◽  
pp. 190-195 ◽  
Author(s):  
Süleyman Ediz ◽  
Murat Cancan

Background: Reckoning molecular topological indices of drug structures gives the data about the underlying topology of these drug structures. Novel anticancer drugs have been leading by researchers to produce ideal drugs. Materials and Methods: Pharmacological properties of these new drug agents explored by utilizing simulation strategies. Topological indices additionally have been utilized to research pharmacological properties of some drug structures. Novel alkylating agents based anticancer drug candidates and ve-degree molecular topological indices have been introduced recently. Results and Conclusion: In this study we calculate ve-degree atom-bond connectivity, harmonic, geometric-arithmetic and sum-connectivity molecular topological indices for the newly defined alkylating agents based dual-target anticancer drug candidates.


Molecules ◽  
2021 ◽  
Vol 26 (12) ◽  
pp. 3694
Author(s):  
Luminita Georgeta Confederat ◽  
Cristina Gabriela Tuchilus ◽  
Maria Dragan ◽  
Mousa Sha’at ◽  
Oana Maria Dragostin

Despite the advantages presented by synthetic polymers such as strength and durability, the lack of biodegradability associated with the persistence in the environment for a long time turned the attention of researchers to natural polymers. Being biodegradable, biopolymers proved to be extremely beneficial to the environment. At present, they represent an important class of materials with applications in all economic sectors, but also in medicine. They find applications as absorbers, cosmetics, controlled drug delivery, tissue engineering, etc. Chitosan is one of the natural polymers which raised a strong interest for researchers due to some exceptional properties such as biodegradability, biocompatibility, nontoxicity, non-antigenicity, low-cost and numerous pharmacological properties as antimicrobial, antitumor, antioxidant, antidiabetic, immunoenhancing. In addition to this, the free amino and hydroxyl groups make it susceptible to a series of structural modulations, obtaining some derivatives with different biomedical applications. This review approaches the physico-chemical and pharmacological properties of chitosan and its derivatives, focusing on the antimicrobial potential including mechanism of action, factors that influence the antimicrobial activity and the activity against resistant strains, topics of great interest in the context of the concern raised by the available therapeutic options for infections, especially with resistant strains.


2017 ◽  
Vol 10 (03) ◽  
pp. 1750057
Author(s):  
Abdollah Alhevaz ◽  
Maryam Baghipur ◽  
Sadegh Rahimi

The Wiener number [Formula: see text] of a graph [Formula: see text] was introduced by Harold Wiener in connection with the modeling of various physic-chemical, biological and pharmacological properties of organic molecules in chemistry. Milan Randić introduced a modification of the Wiener index for trees (acyclic graphs), and it is known as the hyper-Wiener index. Then Klein et al. generalized Randić’s definition for all connected (cyclic) graphs, as a generalization of the Wiener index, denoted by [Formula: see text] and defined as [Formula: see text]. In this paper, we establish some upper and lower bounds for [Formula: see text], in terms of other graph-theoretic parameters. Moreover, we compute hyper-Wiener number of some classes of graphs.


2018 ◽  
Vol 74 (1-2) ◽  
pp. 35-43
Author(s):  
Wei Gao ◽  
Muhammad Kamran Siddiqui ◽  
Najma Abdul Rehman ◽  
Mehwish Hussain Muhammad

Abstract Dendrimers are large and complex molecules with very well defined chemical structures. More importantly, dendrimers are highly branched organic macromolecules with successive layers or generations of branch units surrounding a central core. Topological indices are numbers associated with molecular graphs for the purpose of allowing quantitative structure-activity relationships. These topological indices correlate certain physico-chemical properties such as the boiling point, stability, strain energy, and others, of chemical compounds. In this article, we determine hyper-Zagreb index, first multiple Zagreb index, second multiple Zagreb index, and Zagreb polynomials for hetrofunctional dendrimers, triangular benzenoids, and nanocones.


Symmetry ◽  
2018 ◽  
Vol 10 (8) ◽  
pp. 320 ◽  
Author(s):  
Young Kwun ◽  
Abaid Virk ◽  
Waqas Nazeer ◽  
M. Rehman ◽  
Shin Kang

The application of graph theory in chemical and molecular structure research has far exceeded people’s expectations, and it has recently grown exponentially. In the molecular graph, atoms are represented by vertices and bonds by edges. Topological indices help us to predict many physico-chemical properties of the concerned molecular compound. In this article, we compute Generalized first and multiplicative Zagreb indices, the multiplicative version of the atomic bond connectivity index, and the Generalized multiplicative Geometric Arithmetic index for silicon-carbon Si2C3−I[p,q] and Si2C3−II[p,q] second.


Author(s):  
Young Chel Kwun ◽  
Abaid ur Rehman Virk ◽  
Waqas Nazeer ◽  
Shin Min Kang

The application of graph theory in chemical and molecular structure research far exceeds people's expectations, and it has recently grown exponentially. In the molecular graph, atoms are represented by vertices and bonded by edges. Closed forms of multiplicative degree-based topological indices which are numerical parameters of the structure and determine physico-chemical properties of the concerned molecular compound. In this article, we compute and analyze many multiplicative degree-based topological indices of silicon-carbon Si2C3-I[p,q] and Si2C3-II[p,q].


Author(s):  
M. S. Struk

Data on the development of a new injectable drug based on zinc nanoparticles are presented. Its composition, basic physico-chemical and pharmacological properties are indicated. The procedure for the use of the drug and its effectiveness in the parenteral method of administration to cattle was determined.


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