Exploring topological indices of oligothiophene dendrimer via neighbourhood M-polynomial

Muhammad Shafii Abubakar, Kazeem Olalekan Aremu, Prof. Maggie Aphane, Prof. Muhammad Kamran SIDDIQUI
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Abstract

In this study, we give some theoretical results for studying the structural connectivity of oligothiophene dendrimer by utilizing the neighborhood M-polynomial. The main result of this article presents the closed formula of neighborhood M-polynomial of oligothiophene dendrimer which is used for computing the neighborhood topological indices of the dendrimer. Among the various indices considered, the forgotten index obtained the highest value, followed by the Sanskruti index, first Zagreb index, and second Zagreb index. These topological indices exhibited an increasing trend as the number of generation increases across the dendrimer structure. Conversely, the remaining index values display minimal or negligible changes as the generation increases. This suggests that these indices exhibits slow increases with higher generations in the dendrimer structure. The significance of adopting the neighborhood M-polynomial to compute the topological index lies in the fact that it facilitates the analysis of complex molecules in a timely manner and allows pendant vertex to contribute more effectively to the overall degree value of the dendrimer. Furthermore, the dataset resulting from these topological indices serves as a foundation for future studies aimed at predicting the physicochemical properties of the dendrimer.
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通过邻域 M 多项式探索低聚噻吩树枝状聚合物的拓扑指数
在本研究中,我们利用邻域 M-多项式给出了一些研究低聚噻吩树枝状聚合物结构连通性的理论结果。本文的主要成果提出了低聚噻吩树枝状聚合物邻域 M-多项式的封闭公式,用于计算树枝状聚合物的邻域拓扑指数。在所考虑的各种指数中,被遗忘指数的值最高,其次是桑斯克鲁提指数、第一萨格勒布指数和第二萨格勒布指数。这些拓扑指数随着树枝状聚合物结构代数的增加而呈上升趋势。相反,其余指数值随着代数的增加变化很小或可以忽略不计。这表明这些指数随着树状分子结构代数的增加而缓慢上升。采用邻域 M 多项式计算拓扑指数的意义在于,它有助于及时分析复杂的分子,并使垂点对树枝状聚合物的整体度值做出更有效的贡献。此外,这些拓扑指数产生的数据集可作为未来研究的基础,旨在预测树枝状聚合物的物理化学特性。
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