On detour index of cycloparaphenylene and polyphenylene molecular structures

Abstract Cycloparaphenylene is a particle that comprises a few benzene rings associated with covalent bonds in the para positions to frame a ring-like structure. Similarly, poly (para-phenylenes) are macromolecules that include benzenoid compounds straightforwardly joined to each other by C–C bonds....

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Autores principales:	S. Prabhu, Y. Sherlin Nisha, M. Arulperumjothi, D. Sagaya Rani Jeba, V. Manimozhi
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/6263104c93cb43dfbe0eeaeae2a0afbc
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spelling	oai:doaj.org-article:6263104c93cb43dfbe0eeaeae2a0afbc2021-12-02T16:06:43ZOn detour index of cycloparaphenylene and polyphenylene molecular structures10.1038/s41598-021-94765-62045-2322https://doaj.org/article/6263104c93cb43dfbe0eeaeae2a0afbc2021-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-94765-6https://doaj.org/toc/2045-2322Abstract Cycloparaphenylene is a particle that comprises a few benzene rings associated with covalent bonds in the para positions to frame a ring-like structure. Similarly, poly (para-phenylenes) are macromolecules that include benzenoid compounds straightforwardly joined to each other by C–C bonds. Because of their remarkable architectural highlights, these structures have fascinated attention from numerous vantage focuses. Descriptors are among the most fundamental segments of prescient quantitative structure-activity and property relationship (QSAR/QSPR) demonstrating examination. They encode chemical data of particles as quantitative numbers, which are utilized to create a mathematical correlation. The nature of a predictive model relies upon great demonstrating insights, yet additionally on the extraction of compound highlights. To a great extent, Molecular topology has exhibited its adequacy in portraying sub-atomic structures and anticipating their properties. It follows a two-dimensional methodology, just thinking about the interior plan, including molecules. Explicit subsets speak the design of every atom of topological descriptors. When all around picked, these descriptors give a unique method of describing an atomic system that can represent the most significant highlights of the molecular structure. Detour index is one such topological descriptor with much application in chemistry, especially in QSAR/QSPR studies. This article presents an exact analytical expression for the detour index of cycloparaphenylene and poly (para-phenylene).S. PrabhuY. Sherlin NishaM. ArulperumjothiD. Sagaya Rani JebaV. ManimozhiNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-14 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q S. Prabhu Y. Sherlin Nisha M. Arulperumjothi D. Sagaya Rani Jeba V. Manimozhi On detour index of cycloparaphenylene and polyphenylene molecular structures
description	Abstract Cycloparaphenylene is a particle that comprises a few benzene rings associated with covalent bonds in the para positions to frame a ring-like structure. Similarly, poly (para-phenylenes) are macromolecules that include benzenoid compounds straightforwardly joined to each other by C–C bonds. Because of their remarkable architectural highlights, these structures have fascinated attention from numerous vantage focuses. Descriptors are among the most fundamental segments of prescient quantitative structure-activity and property relationship (QSAR/QSPR) demonstrating examination. They encode chemical data of particles as quantitative numbers, which are utilized to create a mathematical correlation. The nature of a predictive model relies upon great demonstrating insights, yet additionally on the extraction of compound highlights. To a great extent, Molecular topology has exhibited its adequacy in portraying sub-atomic structures and anticipating their properties. It follows a two-dimensional methodology, just thinking about the interior plan, including molecules. Explicit subsets speak the design of every atom of topological descriptors. When all around picked, these descriptors give a unique method of describing an atomic system that can represent the most significant highlights of the molecular structure. Detour index is one such topological descriptor with much application in chemistry, especially in QSAR/QSPR studies. This article presents an exact analytical expression for the detour index of cycloparaphenylene and poly (para-phenylene).
format	article
author	S. Prabhu Y. Sherlin Nisha M. Arulperumjothi D. Sagaya Rani Jeba V. Manimozhi
author_facet	S. Prabhu Y. Sherlin Nisha M. Arulperumjothi D. Sagaya Rani Jeba V. Manimozhi
author_sort	S. Prabhu
title	On detour index of cycloparaphenylene and polyphenylene molecular structures
title_short	On detour index of cycloparaphenylene and polyphenylene molecular structures
title_full	On detour index of cycloparaphenylene and polyphenylene molecular structures
title_fullStr	On detour index of cycloparaphenylene and polyphenylene molecular structures
title_full_unstemmed	On detour index of cycloparaphenylene and polyphenylene molecular structures
title_sort	on detour index of cycloparaphenylene and polyphenylene molecular structures
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/6263104c93cb43dfbe0eeaeae2a0afbc
work_keys_str_mv	AT sprabhu ondetourindexofcycloparaphenyleneandpolyphenylenemolecularstructures AT ysherlinnisha ondetourindexofcycloparaphenyleneandpolyphenylenemolecularstructures AT marulperumjothi ondetourindexofcycloparaphenyleneandpolyphenylenemolecularstructures AT dsagayaranijeba ondetourindexofcycloparaphenyleneandpolyphenylenemolecularstructures AT vmanimozhi ondetourindexofcycloparaphenyleneandpolyphenylenemolecularstructures
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On detour index of cycloparaphenylene and polyphenylene molecular structures

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