Connection-Based Multiplicative Zagreb Indices of Dendrimer Nanostars

Sattar, Aqsa; Javaid, Muhammad; Bonyah, Ebenezer

doi:10.1155/2021/2107623

Cited by 18 publications

(5 citation statements)

References 28 publications

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“…To study the paraffin boiling point, Harry Wiener [24] developed the first distance-based topological index. There are numerous different forms of topological indices, such as, vertex-degree based indices [25][26][27][28][29][30][31][32][33][34][35], distance-based indices [15,[36][37][38][39], and connection based indices [20,[40][41][42][43]. Among the numerous types of molecular descriptors, vertex-degree based molecular descriptors are commonly used [25-30, 44, 45], however, the connection based topological indices attracted significant attention of the researchers more recently due to their high predictive ability [20,43,46].…”

Section: Introductionmentioning

confidence: 99%

Connection based novel AL topological descriptors and structural property of the zinc oxide metal organic frameworks

Ullah,

Jamal,

Zaman

et al. 2024

Phys. Scr.

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Metal organic frameworks (MOFs) play a vital role in a variety of processes such as heterogeneous catalysis, heterogeneous gas purification and division, biocompatibility, toxicity, and biomedical applications. The Zinc-based MOFs, particularly, have gained prominence in the biomedical industry for applications such as drug delivery, biosensing, and cancer imaging, which has attracted the interest of researchers from around the world. Given the significant influence of molecular structure on the properties of MOFs, it is imperative to model and characterize this structure comprehensively to deepen our understanding and explore avenues for property enhancement. Topological indices are numerical parameters derived from the graph representation of molecules that quantify specific structural features. These indices provide insights into the connectivity and arrangement of atoms or nodes within the structure, offering information about its chemical, physical, or biological properties. In this study, the Zinc Oxide network structures are topologically modeled via connection numbers, and some novel topological descriptors viz. 〖AL〗_1, 〖AL〗_2, 〖AL〗_3, 〖AL〗_4, 〖AL〗_5, 〖AL〗_6, 〖AL〗_7 and〖 AL〗_8 are computed by deriving mathematical closed form expressions for them. Based on the numerical results, a comparative analysis of the computed topological descriptors is also performed. The prediction potential and chemical applicability of these indices are investigated using the benchmark dataset of Octane Isomers and corresponding experimental values, correlating experimental and computed values through regression models.

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Section: Introductionmentioning

confidence: 99%

Connection based novel AL topological descriptors and structural property of the zinc oxide metal organic frameworks

Ullah,

Jamal,

Zaman

et al. 2024

Phys. Scr.

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“…Further, Liu et al [25] found the topological properties of neural networks. Recently, Sattar et al [26][27][28] worked on computing the general expression of ZIs for two types of dendrimers. For the other terminologies not discussed in this paper, the readers are referred to [29][30][31].…”

Section: Introductionmentioning

confidence: 99%

Topological Aspects of Dendrimers via Connection-Based Descriptors

Javaid¹,

Alamer²,

Sattar³

2023

Computer Modeling in Engineering &Amp; Sciences

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Topological indices (TIs) have been practiced for distinct wide-ranging physicochemical applications, especially used to characterize and model the chemical structures of various molecular compounds such as dendrimers, nanotubes and neural networks with respect to their certain properties such as solubility, chemical stability and low cytotoxicity. Dendrimers are prolonged artificially synthesized or amalgamated natural macromolecules with a sequential layer of branches enclosing a central core. A present-day trend in mathematical and computational chemistry is the characterization of molecular structure by applying topological approaches, including numerical graph invariants. Among topological descriptors, Zagreb connection indices (ZCIs) have much importance. This manuscript involves the establishment of general results to calculate ZCIs, namely first ZCI (FZCI), second ZCI (SZCI), third ZCI (TZCI), modified FZCI, modified SZCI and modified TZCI of two special types of dendrimers nanostars, namely, poly propylene imine octamin (PPIO) dendrimer and poly (propyl) ether imine (PPEtIm) dendrimer. Furthermore, we provide the numerical and graphical comparative analysis of our calculated results for both types of dendrimers with each other.

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“…Du et al [21] utilized connection-based modified FZI to find the extremal alkanes. Recently, Sattar et al [22] computed the general expressions to compute MZCI of dendrimer nanostars. Furthermore, in 2020, Ali et al [23] worked out to calculate the modified ZCIs for T-sum graphs.…”

Section: Introductionmentioning

confidence: 99%

On the Studies of Dendrimers via Connection-Based Molecular Descriptors

Sattar

Javaid

Alam

2022

Mathematical Problems in Engineering

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Topological indices (TIs) have been utilized widely to characterize and model the chemical structures of various molecular compounds such as dendrimers, neural networks, and nanotubes. Dendrimers are extraordinarily comprehensible, globular, artificially synthesized polymers with a structure of frequently branched units. A mathematical approach to characterize the molecular structures by manipulating the topological techniques, including numerical graphs invariants is the present-day line of research in chemistry. Among all the defined descriptors, the connection-based Zagreb indices are considered to be more effective than the other classical indices. In this manuscript, we find the general results to compute the Zagreb connection indices (ZCIs), namely, first ZCI (1st ZCI), second ZCI (2nd ZCI), modified 1st ZCI, modified 2nd ZCI, and modified 3rd ZCI. Furthermore, we compute the multiplicative ZCI (MZCI), namely, first MZCI (1st MZCI), second MZCI (2nd MZCI), third MZCI (3rd MZCI), fourth MZCI (4th MZCI), modified 1st MZCI, modified 2nd MZCI, and modified 3rd MZCI. In addition, we compare the calculated values with each other in order to check the superiority.

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Connection-Based Multiplicative Zagreb Indices of Dendrimer Nanostars

Cited by 18 publications

References 28 publications

Connection based novel AL topological descriptors and structural property of the zinc oxide metal organic frameworks

Connection based novel AL topological descriptors and structural property of the zinc oxide metal organic frameworks

Topological Aspects of Dendrimers via Connection-Based Descriptors

On the Studies of Dendrimers via Connection-Based Molecular Descriptors

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