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Cooperative threading of asymmetric rings onto a linear chain
Author(s) -
Horský Jirí
Publication year - 2000
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/1521-3919(20001201)9:9<759::aid-mats759>3.0.co;2-9
Subject(s) - threading (protein sequence) , asymmetry , chain (unit) , head (geology) , statistical physics , materials science , physics , protein structure , quantum mechanics , nuclear magnetic resonance , geomorphology , geology
Abstract The hopping model of pseudopolyrotaxane formation by threading of rings onto a linear chain was modified to allow for cooperative interactions between adjacent rings and their asymmetry. In equilibrium, pseudopolyrotaxane formation may be treated as binding to a one‐dimensional array of fully accessible sites. If the time evolution of threading is sought the transport through connected sites has to be considered, and the problem can be solved numerically using stochastic simulation. The application of the model to threading of cyclodextrins onto polymeric chains shows that completely regular head‐to‐head/tail‐to‐tail arrangement cannot be expected.