Compactization of rigid-chain amphiphilic macromolecules with local helical structure |
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Authors: | M K Glagolev V V Vasilevskaya A R Khokhlov |
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Institution: | 1.Faculty of Physics,Moscow State University,Moscow,Russia;2.Nesmeyanov Institute of Organoelement Compounds,Russian Academy of Sciences,Moscow,Russia |
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Abstract: | Conformational characteristics of amphiphilic macromolecules with secondary local helical structuring are studied by the method
of molecular dynamics for different properties of a helix (bending angles between neighboring vectors of the bond and internal
rotation angle) and different rigidities of its fixation. Extended helices with high distances between helical turns and dense
helices in which neighboring turns directly adjoin each other are studied. As the quality of a solvent deteriorates, extended
helices experience a well-pronounced coil-globule transition, whose amplitude increases with an increase in chain rigidity,
while the dimensions of dense helices gradually change. In a poor solvent, extended helices formed “collagen-like” structures,
flexible chains of dense helices produce hairpin structures, and rigid macromolecules of dense helices form rodlike globules
with an almost ideal local helical order. Independently of helix parameters, a deterioration in solvent quality leads to stabilization
of the local secondary structure. |
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