Multiple-Criteria Decision-Making (MCDM) techniques to study the behavior of dendrimers using topological indices

Xuewu Zuo; Maryam Akhtar; Adnan Aslam; Ferdous M Tawfiq; Salma Kanwal

doi:10.1371/journal.pone.0294515

Multiple-Criteria Decision-Making (MCDM) techniques to study the behavior of dendrimers using topological indices

PLoS One. 2023 Nov 30;18(11):e0294515. doi: 10.1371/journal.pone.0294515. eCollection 2023.

Authors

Xuewu Zuo¹, Maryam Akhtar², Adnan Aslam³, Ferdous M Tawfiq⁴, Salma Kanwal²

Affiliations

¹ General Education Department, Anhui Xinhua University, Hefei, China.
² Department of Mathematics, Lahore College for Women University, Lahore, Pakistan.
³ Department of Natural Sciences and Humanities, University of Engineering and Technology, Lahore(RCET), Pakistan.
⁴ Mathematics Department, College of Science, King Saud University, Riyadh, Saudi Arabia.

Abstract

Topological indices provide a mathematical language for capturing molecular structure, symmetry, and predicting properties. Dendrimers are microscopic bilaterally symmetrical molecules with a well-defined homogeneous nanoparticles structure, often consisting of a symmetric center, inner shell, and outer shell. In this work, first we compute some degree-based topological indices of Porphyrin (DnPn),Poly (Propyl) Ether Imine(PETIM), Zinc porphyrin (DPZn), and Polyamidoamine (PAMAM) dendrimers. Then, we use multi-criteria decision making (MCDM) techniques to establish the weighted evaluation of dendrimer classes based on certain topological indices. For weighted analysis we correlate the properties of benzene derivatives with topological invariants. Finally, based on the multi-criteria decision making techniques namely TOPSIS, SAW and MOORA method, we have ranked the dendrimer structures based on their properties.

Copyright: © 2023 Zuo et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

MeSH terms

Dendrimers* / chemistry
Ethers
Imines
Molecular Structure
Porphyrins* / chemistry

Substances

Dendrimers
Imines
Porphyrins
Ethers

Grants and funding

This research project is supported by the Natural Science Foundation of Anhui Province Higher School (KJ2021A1155, 2022AH051859, 2022AH051864, 2023AH051810, 2023AH051807), China and Researchers Supporting Project Number (RSP2023R440), King Saud University, Riyadh, Saudi Arabia. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.