Evidence map›Paper›PMID 42404431›Full record

ArticleFrontiers in chemistry2026

Face reverse degree topological analysis of TP-COFs, existence of isentropic COFs and spectral characteristics.

Thirsha Rajendran, Micheal Arockiaraj, Arul Jeya Shalini, Huda M Alshanbari, Nawal Al-Hoshani

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Article in Frontiers in chemistry, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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5 · Who and what money

Authors and funding

5 authors.

Thirsha RajendranDepartment of Mathematics, Loyola College, University of Madras, Chennai, India.
Micheal ArockiarajDepartment of Mathematics, Loyola College, Chennai, India.
Arul Jeya ShaliniDepartment of Mathematics, Women's Christian College, Chennai, India.
Huda M AlshanbariDepartment of Mathematical Sciences, College of Science, Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia.
Nawal Al-HoshaniDepartment of Biology, College of Science, Princess Nourah bint Abdulrahman University, Riyadh, Saudi Arabia.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The recent synthesis of triple-pore covalent organic frameworks (TP-COFs), specifically TP-COF-DAB and TP-COF-BZ, represents a significant milestone in framework chemistry, as replicating such multi-pore architectures remains highly challenging. Despite their structural novelty, the mathematical perspective of their topology and associated properties is still limited. In this study, closed-form expressions are derived for reverse degree topological indices of these TP-COFs based on a bitrapezium topological arrangements. Scaled face reverse degree indices are employed to explicitly characterize pore geometry in triple-pore architectures. Furthermore, reverse degree based entropy measures are computed to quantify structural orderness and to explore isentropic configurations within the TP-COF family. Using these structural parameters, quantitative structure-property models are constructed for spectral energy, demonstrating strong predictive capability. In addition, the spectral diameter and HOMO-LUMO gap are analyzed using graph spectral techniques, providing insights into the spectral characteristics of TP-COFs.

Indexed as

face reverse degree indicesHOMO‐LUMO gapisentropic structuresQSPR modelingspectral energytriple-pore covalent organic frameworks

Identifiers

PMID42404431
PMCPMC13329282

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