Does symmetry of branching affect the properties of dendrimers?
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Statistical properties of second- to sixth- generation dendrimers with symmetric and asymmetric branching were investigated via Langevin dynamics in dilute solutions with the use of a coarse-grained model. The cases of charged and neutral terminal groups are discussed. Steric interactions were controlled by repulsive forces, a circumstance that corresponded to an athermal solvent. Electrostatic interactions were taken into account via the Ewald method. The size and shape of macromolecules; the density profiles for monomer units and, separately, for terminal groups; and the effective charge of a dendrimer as a function of the generation number were determined. It is shown that the equilibrium characteristics of dendrimers with symmetric and asymmetric branching are similar if the average lengths of their spacers coincide. Branching asymmetry appeared itself only in increased “turning back” of short spacers relative to their longer neighbors’ arising from the same branching point.
KeywordsPolymer Science Series Monomer Unit Effective Charge PAMAM Dendrimer Density Distribution Function
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- 1.Dendrimers in Biomedical Applications, Ed. by B. Klainert, L. Peng, and V. Cena (Royal Society of Chemistry, New York, 2013).Google Scholar
- 2.I. M. Neelov, S. G. Falkovich, D. A. Markelov, E. Paci, A. A. Darinskii, and H. Tenhu, in Dendrimers in Biomedical Applications, Ed. by B. Klainert and S. Prici (Royal Society of Chemistry, New York, 2013), p. 99.Google Scholar
- 5.I. V. Mikhailov and A. S. Pavlov, Vestn. Tversk. Gos. Univ., Ser. Khim., No. 13, 155 (2012).Google Scholar
- 6.A. S. Pavlov, I. V. Mikhailov, and A. A. Darinskii, in Proceedings of XIX All-Russia Conference “Structure and Dynamics of Molecular Systems”, Moscow-Ioshkar-Ola-Ufa (Yal’chik, Kazan, 2012), Vol. 2, p. 43.Google Scholar
- 7.S. V. Lyulin, A. V. Lyulin, and A. A. Darinskii, Polym. Sci., Ser. A 46, 189 (2004).Google Scholar
- 8.S. V. Lyulin, A. V. Lyulin, and A. A. Darinskii, Polym. Sci., Ser. A 46, 196 (2004).Google Scholar
- 12.I. T. Todorov and W. Smith, DL POLY, (Warrington: STFC Daresbury Laboratory Daresbury, 2011).Google Scholar