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Biomolecules. 2018 Aug 7;8(3). pii: E71. doi: 10.3390/biom8030071.

On Eccentricity-Based Topological Indices Study of a Class of Porphyrin-Cored Dendrimers.

Author information

1
School of Information Science and Technology, Yunnan Normal University, Kunming 650500, China. gaowei@ynnu.edu.cn.
2
School of Natural Sciences, National University of Sciences and Technology, Sector H-12, Islamabad 44000, Pakistan. 786zahidwarraich@gmail.com.
3
School of Natural Sciences, National University of Sciences and Technology, Sector H-12, Islamabad 44000, Pakistan. ishaq_maths@yahoo.com.
4
School of Natural Sciences, National University of Sciences and Technology, Sector H-12, Islamabad 44000, Pakistan. sarfaraz_rabia@yahoo.com.
5
Faculty of Physical and Numerical Sciences, Abdul Wali Khan University Mardan, Mardan, Pakistan. aamirkhan@awkum.edu.pk.
6
Department of Mathematical Sciences, Faculty of Science, Universiti Teknologi Malaysia, Johor Bahru 81310, Malaysia. aamirkhan@awkum.edu.pk.
7
Department of Natural Sciences and Humanities, University of Engineering and Technology, Lahore 54000, Pakistan. adnanaslam15@yahoo.com.

Abstract

It is revealed from the previous studies that there is a strong relation between the chemical characteristic of a chemical compound and its molecular structure. Topological indices defined on the molecular structure of biomolecules can help to gain a better understanding of their physical features and biological activities. Eccentricity connectivity indices are distance-based molecular structure descriptors that have been used for the mathematical modeling of biological activities of diverse nature. As the porphyrin has photofunctional properties, such as a large absorption cross-section, fluorescence emission, and photosensitizing properties, due to these properties, porphyrin dendrimers can be used as photofunctional nanodevices. In this paper, we compute the exact formulae of different versions of eccentric connectivity index and their corresponding polynomials for a class of porphyrin-cored dendrimers. The results obtained can be used in computer-aided molecular design methods applied to pharmaceutical engineering.

KEYWORDS:

augmented eccentric connectivity index; eccentric connectivity index; porphyrin-cored dendrimers; total eccentric connectivity index

PMID:
30087283
PMCID:
PMC6165239
DOI:
10.3390/biom8030071
[Indexed for MEDLINE]
Free PMC Article

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