Study of the distribution of somonomers in virtually synthesized block-pvkl-pvkl-pvi-copolymers
P.O. Baburkin1, A.V. Lebedev2, P.V. Komarov1,3
1Tver State University
2Tver branch of the Russian academy of national economy and state service under the President of the Russian Federation
3A.N. Nesmeyanov Institute of Organoelement Compounds of RAS
DOI: 10.26456/pcascnn/2017.9.057
Abstract: In this publication the results are presented of an analysis of statistical properties of the distribution of monomer units in copolymer chains synthesized in silico based on vinylcaprolactam and vinylimidazole. Such polymer chains demonstrate one of the basic properties of protein molecules, and exactly, they are able under conditions of a «bad» solvent (for vinylcaprolactam blocks) to take a dense globular structure with a hydrophobic core surrounded by a hydrophilic «corona». Despite the external similarity of the morphology of globules with protein-like copolymers, the distribution of comonomers attached to the first hydrophobic block has a random character.
Keywords: Coarse-grained computer simulation, amphiphilic copolymers, protein-like polymers, enzyme.
Bibliography link:
Baburkin, P.O. Study of the distribution of somonomers in virtually synthesized block-pvkl-pvkl-pvi-copolymers / P.O. Baburkin, A.V. Lebedev, P.V. Komarov // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials: Interuniversity collection of proceedings / Ed. by V.M. Samsonov, N.Yu. Sdobnyakov. – Tver: TSU, 2017. – I. 9. – P. 57-63.
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