Topological Aspects of Dendrimers via Connection-Based Descriptors

Javaid, Muhammad; Alamer, Ahmed; Sattar, Aqsa

doi:10.32604/cmes.2022.022832

Cited by 5 publications

(4 citation statements)

References 26 publications

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“…The eccentric-connectivity index is a prominent topological descriptor that has been used to predict the pharmaceutical properties of dendrimers. The study of topological descriptors of dendrimers has promising application prospects in the field of bioinformatics and nanomaterial engineering [1][2][3][4][5][6]. There are various topological descriptors used in the analysis of dendrimers including; Distance-based descriptors which are based on the distance between atoms in a dendrimer.…”

Section: Introductionmentioning

confidence: 99%

“…They can be used to analyze the branching pattern and connectivity of dendrimers [1,7], Connection-based descriptors which are based on the connectivity of atoms in a dendrimer. They can be used to analyze the connectivity and branching pattern of dendrimers [5], Degreebased topological descriptors that quantify the connectivity and degree of atoms in a dendrimer. They provide information about the branching and connectivity patterns within a dendrimer [4], Eccentricity-based topological descriptors that are based on the eccentricity of atoms in a dendrimer.…”

Section: Introductionmentioning

confidence: 99%

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The Second Hyper-Zagreb Index and Coindex of Chemical Nano-structures in Drugs

Alsharafi,

Zeren,

Ahmed

et al. 2023

Preprint

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The various dendrimer nanoparticles have properties like multivalency, controlled size, and surface functionality that make them promising nanocarriers for targeted drug delivery and other applications in pharmaceutical sciences. The precise tunability of dendrimers is an advantage over other nanoparticles. The topological descriptors can be used to predict the physicochemical properties of dendrimers and optimize their branching pattern for specific applications. The second Hyper-Zagreb index and coindex were computed for various chemical structures, including dendrimers, to facilitate the correlation between their structure and biological activity. In this study, the second Hyper-Zagreb index and coindex were computed for various chemical structures, such as the molecular graph of poly(propyl) ether imine dendrimer P ET IM nanostar dendrimer (D3[p]), Polypropylenimine octaamine dendrimer (NS1[p]) and (NS2[p]), Polymer dendrimer (NS3[p]) and (NS5[p]), Fullerene dendrimer (NS4[p]), and other classes of dendrimers.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

The Second Hyper-Zagreb Index and Coindex of Chemical Nano-structures in Drugs

Alsharafi,

Zeren,

Ahmed

et al. 2023

Preprint

View full text Add to dashboard Cite

show abstract

“…Computation of entropy measures and valency-based indices of networks are discussed in [24] and [25]. The results of connection based such indices of networks are given in [26][27][28].…”

Section: Introductionmentioning

confidence: 99%

Properties of Graph Based on Divisor-Euler Functions

Rehman,

Mehmood

2023

Sci Inquiry Rev.

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Divisor function gives the residues of which divide it. A function denoted by counts the total possible divisors of and gives the list of co-prime integers to . Many graphs had been constructed over these arithmetic functions. Using and , a well known graph named as divisor Euler function graph has been constructed. In this paper, we use divisor function and anti Euler function . We label the symbol to count those residues of which are not co-prime to . By using these functions, we find a new graph, called divisor anti-Euler function graph (DAEFG), denoted as . Let be a DAEFG, where and . The objective of this sequel is to introduce and discuss the properties of DAEFG. In this work, we discuss novel classes of proposed graph with its structure using loops, cycles, components of graph, degree of its vertices, components as complete, bipartite, planar, Hamiltonian and Eulerian graphs. Also, we find chromatic number, chromatic index and clique of these graphs.

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“…To assess the system precision, a number of natural convection test cases in square and triangular cavities were selected. Numerous academic papers examined the chemical and physical characteristics of natural molecular aspects as in [23].…”

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confidence: 99%

Optimization of Cooperative Relaying Molecular Communications for Nanomedical Applications

Attia,

Khalaf,

El-Samie

et al. 2024

CMES

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Recently, nano-systems based on molecular communications via diffusion (MCvD) have been implemented in a variety of nanomedical applications, most notably in targeted drug delivery system (TDDS) scenarios. Furthermore, because the MCvD is unreliable and there exists molecular noise and inter symbol interference (ISI), cooperative nano-relays can acquire the reliability for drug delivery to targeted diseased cells, especially if the separation distance between the nano transmitter and nano receiver is increased. In this work, we propose an approach for optimizing the performance of the nano system using cooperative molecular communications with a nano relay scheme, while accounting for blood flow effects in terms of drift velocity. The fractions of the molecular drug that should be allocated to the nano transmitter and nano relay positioning are computed using a collaborative optimization problem solved by the Modified Central Force Optimization (MCFO) algorithm. Unlike the previous work, the probability of bit error is expressed in a closed-form expression. It is used as an objective function to determine the optimal velocity of the drug molecules and the detection threshold at the nano receiver. The simulation results show that the probability of bit error can be dramatically reduced by optimizing the drift velocity, detection threshold, location of the nano-relay in the proposed nano system, and molecular drug budget.

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Topological Aspects of Dendrimers via Connection-Based Descriptors

Cited by 5 publications

References 26 publications

The Second Hyper-Zagreb Index and Coindex of Chemical Nano-structures in Drugs

The Second Hyper-Zagreb Index and Coindex of Chemical Nano-structures in Drugs

Properties of Graph Based on Divisor-Euler Functions

Optimization of Cooperative Relaying Molecular Communications for Nanomedical Applications

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