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A novel perspective for M-polynomials to compute molecular descriptors of borophene nanosheet

Nanomaterials feature exceptional, one-of-a-kind qualities that might be used in electronics, medicine, and other industries. Two-dimensional nanomaterials called borophene have a variety of intriguing characteristics, which helped them to leave an indelible impression in the fields of chemistry, ma...

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Autores principales: Ismail, Rashad, Baby, Annmaria, Xavier, D. Antony, Varghese, Eddith Sarah, Ghani, Muhammad Usman, Nair, A. Theertha, Karamti, Hanen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10368648/
https://www.ncbi.nlm.nih.gov/pubmed/37491369
http://dx.doi.org/10.1038/s41598-023-37637-5
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author Ismail, Rashad
Baby, Annmaria
Xavier, D. Antony
Varghese, Eddith Sarah
Ghani, Muhammad Usman
Nair, A. Theertha
Karamti, Hanen
author_facet Ismail, Rashad
Baby, Annmaria
Xavier, D. Antony
Varghese, Eddith Sarah
Ghani, Muhammad Usman
Nair, A. Theertha
Karamti, Hanen
author_sort Ismail, Rashad
collection PubMed
description Nanomaterials feature exceptional, one-of-a-kind qualities that might be used in electronics, medicine, and other industries. Two-dimensional nanomaterials called borophene have a variety of intriguing characteristics, which helped them to leave an indelible impression in the fields of chemistry, material science, nanotechnology, and condensed matter physics. The concept of modelling the structure of a molecule or chemical network to a chemical graph and then quantitatively analysing them with the aid of topological descriptors was a major advance in the fields of mathematics and chemistry, with a wide range of applications. M-polynomial approach is a very versatile and quick method for computing the degree-based descriptors of chemical graphs or networks. The degree-based descriptors of the [Formula: see text] -Borophene nanosheet are established in this study utilising the M-polynomial technique. A program code that enables to generate the M-polynomial of any chemical structure was developed in Java platform and the same is displayed. At the conclusion, the numerical and graphical comparison based on the identified analytic expressions is also provided. Additionally, the QSPR analysis was also carried out and the outcoms are presented therein.
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spelling pubmed-103686482023-07-27 A novel perspective for M-polynomials to compute molecular descriptors of borophene nanosheet Ismail, Rashad Baby, Annmaria Xavier, D. Antony Varghese, Eddith Sarah Ghani, Muhammad Usman Nair, A. Theertha Karamti, Hanen Sci Rep Article Nanomaterials feature exceptional, one-of-a-kind qualities that might be used in electronics, medicine, and other industries. Two-dimensional nanomaterials called borophene have a variety of intriguing characteristics, which helped them to leave an indelible impression in the fields of chemistry, material science, nanotechnology, and condensed matter physics. The concept of modelling the structure of a molecule or chemical network to a chemical graph and then quantitatively analysing them with the aid of topological descriptors was a major advance in the fields of mathematics and chemistry, with a wide range of applications. M-polynomial approach is a very versatile and quick method for computing the degree-based descriptors of chemical graphs or networks. The degree-based descriptors of the [Formula: see text] -Borophene nanosheet are established in this study utilising the M-polynomial technique. A program code that enables to generate the M-polynomial of any chemical structure was developed in Java platform and the same is displayed. At the conclusion, the numerical and graphical comparison based on the identified analytic expressions is also provided. Additionally, the QSPR analysis was also carried out and the outcoms are presented therein. Nature Publishing Group UK 2023-07-25 /pmc/articles/PMC10368648/ /pubmed/37491369 http://dx.doi.org/10.1038/s41598-023-37637-5 Text en © The Author(s) 2023, corrected publication 2023 https://creativecommons.org/licenses/by/4.0/Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons licence, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons licence, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons licence and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this licence, visit http://creativecommons.org/licenses/by/4.0/ (https://creativecommons.org/licenses/by/4.0/) .
spellingShingle Article
Ismail, Rashad
Baby, Annmaria
Xavier, D. Antony
Varghese, Eddith Sarah
Ghani, Muhammad Usman
Nair, A. Theertha
Karamti, Hanen
A novel perspective for M-polynomials to compute molecular descriptors of borophene nanosheet
title A novel perspective for M-polynomials to compute molecular descriptors of borophene nanosheet
title_full A novel perspective for M-polynomials to compute molecular descriptors of borophene nanosheet
title_fullStr A novel perspective for M-polynomials to compute molecular descriptors of borophene nanosheet
title_full_unstemmed A novel perspective for M-polynomials to compute molecular descriptors of borophene nanosheet
title_short A novel perspective for M-polynomials to compute molecular descriptors of borophene nanosheet
title_sort novel perspective for m-polynomials to compute molecular descriptors of borophene nanosheet
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10368648/
https://www.ncbi.nlm.nih.gov/pubmed/37491369
http://dx.doi.org/10.1038/s41598-023-37637-5
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