The theory of networks provides a mathematical basis for building and modeling the chemical structures and complex networks. Topological indices (TIs) are employed in several physicochemical applications, particularly for characterizing and modeling the chemical structures of diverse molecular compounds, including dendrimers. Dendrimers are intentionally synthesized or combined natural macromolecules characterized by a series of branching layers around a central core. In this manuscript, we calculate various connection-based Zagreb indices (ZIs), including the atom-bond connectivity connection index (ABCCI), geometric-arithmetic connection index (GACI), augmented connection index (ACI), symmetric division connection index (SDCI), harmonic connection index (HCI), inverse sum connection index (ISCI), and hyper Zagreb connection index (HZCI). Additionally, we discuss the connection-based ZIs for one of the most significant types of dendrimers, namely Tetrathiafulvalene (TTF) dendrimers. In addition, we provide a detailed numerical and graphical comparative analysis of the calculated results for TTF dendrimers, highlighting their performance and potential advantages in various applications.
References
[1]
Sampathkumar, S.G. and Yarema, K.J. (2007) Dendrimers in Cancer Treatment and Diagnosis. In: Kumar, C.S.S.R., Ed., Nanotechnologies for the Life Sciences, Wiley, 105-134.
[2]
Bacha, K., Chemotti, C., Mbakidi, J., Deleu, M. and Bouquillon, S. (2023) Dendrimers: Synthesis, Encapsulation Applications and Specific Interaction with the Stratum Corneum—A Review. Macromol, 3, 343-370. https://doi.org/10.3390/macromol3020022
[3]
Kesharwani, P., Gothwal, A., Iyer, A.K., Jain, K., Chourasia, M.K. and Gupta, U. (2018) Dendrimer Nanohybrid Carrier Systems: An Expanding Horizon for Targeted Drug and Gene Delivery. DrugDiscoveryToday, 23, 300-314. https://doi.org/10.1016/j.drudis.2017.06.009
[4]
Klajnert, B., Peng, L. and Ceoa, V. (2013) Dendrimers in Biomedical Applications. Royal Society of Chemistry.
[5]
Kurczewska, J., Cegłowski, M., Messyasz, B. and Schroeder, G. (2018) Dendrimer-functionalized Halloysite Nanotubes for Effective Drug Delivery. AppliedClayScience, 153, 134-143. https://doi.org/10.1016/j.clay.2017.12.019
[6]
Afzal, H.U. and Fatima, T. (2019) On Topological Indices of OT [M, N] Octagonal Tillings and TiO2 Nanotubes. ActaChimicaSlovenica, 66, 435-442. https://doi.org/10.17344/acsi.2018.4897
[7]
Gao, W., Younas, M., Farooq, A., Mahboob, A. and Nazeer, W. (2018) M-Polynomials and Degree-Based Topological Indices of the Crystallographic Structure of Molecules. Biomolecules, 8, Article 107. https://doi.org/10.3390/biom8040107
[8]
Imran, M., Baig, A.Q. and Ali, H. (2016) On Molecular Topological Properties of Hex-Derived Networks. JournalofChemometrics, 30, 121-129. https://doi.org/10.1002/cem.2785
[9]
Wiener, H. (1947) Structural Determination of Paraffin Boiling Points. JournaloftheAmericanChemicalSociety, 69, 17-20. https://doi.org/10.1021/ja01193a005
[10]
Gutman, I. and Trinajstić, N. (1972) Graph Theory and Molecular Orbitals. Total φ-Electron Energy of Alternant Hydrocarbons. ChemicalPhysicsLetters, 17, 535-538. https://doi.org/10.1016/0009-2614(72)85099-1
[11]
Gutman, I., Ruscić, B., Trinajstić, N. and Wilcox, C.F. (1975) Graph Theory and Molecular Orbitals. XII. Acyclic Polyenes. TheJournalofChemicalPhysics, 62, 3399-3405. https://doi.org/10.1063/1.430994
[12]
Ali, A., Gutman, I., Milovanovic, E. and Milovanovic, I. (2018) Sum of Powers of the Degrees of Graphs Extremal Results and Bounds. MATCH Communications in Mathematical and in Computer Chemistry, 80, 5-84.
[13]
Borovicanin, B., Das, K.C., Furtula, B. and Gutman, I. (2017) Bounds for Zagreb Indices. MATCH Communications in Mathematical and in Computer Chemistry, 78, 17-100.
[14]
Javaid, M., Ali, U. and Liu, J. (2021) Computing Analysis for First Zagreb Connection Index and Coindex of Resultant Graphs. MathematicalProblemsinEngineering, 2021, Article ID: 6019517. https://doi.org/10.1155/2021/6019517
[15]
Zhang, X., Zeng, Y., Yu, T., Chen, J., Yang, G. and Li, Y. (2014) Tetrathiafulvalene Terminal-Decorated PAMAM Dendrimers for Triggered Release Synergistically Stimulated by Redox and CB[7]. Langmuir, 30, 718-726. https://doi.org/10.1021/la404349w
[16]
Wang, C., Bryce, M.R., Batsanov, A.S., Goldenberg, L.M. and Howard, J.A.K. (1997) Synthesis and Electrochemistry of New Tetrathiafulvalene (TTF) Dendrimers: X-Ray Crystal Structure of a Tetrafunctionalised TTF Core Unit. JournalofMaterialsChemistry, 7, 1189-1197. https://doi.org/10.1039/a607597e
[17]
Bryce, M., Nicholas, G. and Christensen, C. (2002) Synthesis, Structures and Redox Properties of Tetrathiafulvalene and Related Bis(1, 3-Dithiole) Dendrimers. Abstracts of Papers: American Chemical Society Meetings, 223, D64.
[18]
Arshad, A., Zainab, S.H., Javed, S., Sattar, A. and Javaid, M. (2024) Connection-Based Topological Aspect of PPIO and PPEI Dendrimers. JournalofAppliedMathematicsandPhysics, 12, 4128-4149. https://doi.org/10.4236/jamp.2024.1212253
[19]
Ali, A. and Trinajstić, N. (2018) A Novel/Old Modification of the First Zagreb Index. MolecularInformatics, 37, Article ID: 1800008. https://doi.org/10.1002/minf.201800008
[20]
Arshad, A., Sattar, A., Javaid, M. and Abebe Ashebo, M. (2023) Connection Number-Based Topological Indices of Cartesian Product of Graphs. JournalofMathematics, 2023, Article ID: 8272936. https://doi.org/10.1155/2023/8272936
[21]
Arshad, A. and Afzal, A. (2024) Computing Zagreb Connection Indices for the Cartesian Product of Path and Cycle Graphs. ScientificInquiryandReview, 8, 102-118. https://doi.org/10.32350/sir.83.05
[22]
Estrada, E., Torres, L., Rodriguez, L. and Gutman, I. (1998) An Atom-Bond Connectivity Index: Modelling the Enthalpy of Formation of Alkanes. Indian Journal of Chemistry, 37A, 849-855.
[23]
Ghorbani, M. and Hosseinzadeh, M.A. (2010) Computing ABC4 Index of Nanostar Dendrimers. Optoelectronics and Advanced Materials-Rapid Communications, 4, 1419-1422.
[24]
Vukičević, D. and Furtula, B. (2009) Topological Index Based on the Ratios of Geometrical and Arithmetical Means of End-Vertex Degrees of Edges. JournalofMathematicalChemistry, 46, 1369-1376. https://doi.org/10.1007/s10910-009-9520-x
[25]
Graovac, A., Ghorbani, M. and Hosseinzadeh, M.A. (2011) Computing Fifth Geometric-Arithmetic Index for Nanostar Dendrimers. Journal of Discrete Mathematics and Its Applications, 1, 33-42.
[26]
Vukičević, D. (2010) Bond Additive Modeling 2. Mathematical Properties of Max-Min Rodeg Index. Croatica Chemica Acta, 83, 261-273.
[27]
Fajtlowicz, S. (1987) On Conjectures of Graffiti II. Congressus Numerantium, 60, 187-197.
[28]
Vukicevic, D. and Gasperov, M. (2010) Bond Additive Modeling 1. Adriatic Indices. Croatica Chemica Acta, 83, 243-260.
[29]
Shirdel, G., Rezapour, H. and Sayadi, A. (2013) The Hyper-Zagreb Index of Graph Operations. Iranian Journal of Mathematical Chemistry, 4, 213-220.
[30]
Sattar, A., Javaid, M. and Bonyah, E. (2022) Computing Connection-Based Topological Indices of Dendrimers. JournalofChemistry, 2022, Article ID: 7204641. https://doi.org/10.1155/2022/7204641
[31]
Bokhary, S.A.U.H., Imran, M. and Manzoor, S. (2016) On Molecular Topological Properties of Dendrimers. CanadianJournalofChemistry, 94, 120-125. https://doi.org/10.1139/cjc-2015-0466
[32]
Dorosti, N., Iranmanesh, A. and Diudea, M.V. (2010) Computing the Cluj Index of the First Type Dendrimer Nanostar. Optoelectronics and Advanced Materials-Rapid Communications, 4, 381-384.
[33]
Sattar, A. (2023) Computing Connection-Based Zagreb Indices of Molecular Structures. Applications of Mathematical Sciences, 2, 71-87.
[34]
Javaid, M. and Sattar, A. (2022) Novel Connection Based Zagreb Indices of Dendrimer Nanostars. Journal of Combinatorial Mathematics and Combinatorial Computing, 3, 23-32.