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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...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Nature Publishing Group UK
2023
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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. |
format | Online Article Text |
id | pubmed-10368648 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | Nature Publishing Group UK |
record_format | MEDLINE/PubMed |
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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