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Doklady Physical Chemistry

, Volume 470, Issue 1, pp 129–132 | Cite as

Mesoscopic simulation of the synthesis of enzyme-like catalysts

  • P. O. Baburkin
  • P. V. KomarovEmail author
  • A. I. Barabanova
  • P. G. Khalatur
  • A. R. Khokhlov
Physical Chemistry

Abstract

A model based on the mesoscale simulation technique was developed for predicting the conditions for artificial enzyme formation from N-vinylcaprolactam (VCL) and N-vinylimidazole (NVI) by radical copolymerization of pre-synthesized poly-VCL blocks of different molecular weight with VCL and NVI comonomers. This synthetic procedure gives model copolymer chains. Upon a change in the solvent nature, these chains are able to form compact two-layer globular nanostructures with core–shell type morphology if the fraction of the first poly-VCL block is 25–38% of the total copolymer and the fraction of NVI monomers in the reaction mixture (in the concentration range considered) is maximum.

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Copyright information

© Pleiades Publishing, Ltd. 2016

Authors and Affiliations

  • P. O. Baburkin
    • 1
  • P. V. Komarov
    • 1
    • 2
    Email author
  • A. I. Barabanova
    • 2
  • P. G. Khalatur
    • 1
    • 2
  • A. R. Khokhlov
    • 2
    • 3
  1. 1.Tver State UniversityTverRussia
  2. 2.Nesmeyanov Institute of Organoelement CompoundsRussian Academy of SciencesMoscowRussia
  3. 3.Moscow State UniversityMoscowRussia

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