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Analytical Model to Deduce the Conformational and Dynamical Behavior in Dendrimers: A Review.

Shelly BhardwajAmit Kumar
Published in: Polymers (2024)
This review utilizes an optimized Rouse-Zimm discrete hydrodynamic model and the preaveraged Oseen tensor, which accurately consider hydrodynamic interactions to study model dendrimers. We report the analytical theories that have been previously developed for the creation of generalized analytical models for dendrimers. These generalized theories were used to assess the conformational and dynamical behavior of the dendrimers. By including stiffness in the bonds, the neglect of excluded volume interactions may be somewhat offset. This is true at least in the case of short spacers. While the topological limitations on the directions and orientations of the individual bond vectors in dendrimers implement semiflexibility, the intensity of these contacts was determined by the potential geometric orientations of the bonds, and later on the excluded volume interactions in dendrimers, which were described in terms of the effective co-volume between nearest non-bonded monomers and modeled using the delta function pseudopotential. With the aid of the models developed, the authors condensed various conformational and dynamic properties of dendrimers that depend on their degree of semiflexibility and the strength of the excluded volume. These analyses came to the conclusion that the flexible dendrimer in one limit and the earlier described freely rotating model of dendrimers in the other constitute a highly generalized way of capturing a wide range of conformations in the developed mathematical model in dendrimers.
Keyphrases
  • molecular dynamics
  • single molecule
  • risk assessment