Molecular dynamics simulation of pyrene solubilized in a sodium dodecyl sulfate micelle.

@article{Yan2012MolecularDS,
  title={Molecular dynamics simulation of pyrene solubilized in a sodium dodecyl sulfate micelle.},
  author={Hui Yan and Peng Cui and Cheng-bu Liu and Shi-Ling Yuan},
  journal={Langmuir : the ACS journal of surfaces and colloids},
  year={2012},
  volume={28 11},
  pages={4931-8}
}
In the present work, the structural and dynamical aspects of the solubilization process of pyrene within a sodium dodecyl sulfate micelle were studied using molecular dynamics simulations. Our results showed that free pyrene as the fluorescence probe can be spontaneously solubilized into the micelle and prefers to be located in the hydrophobic core region. As the local concentration of pyrene increased, two molecular probes could enter into the core hydrophobic region and the excited dimer of… CONTINUE READING
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