HA (hydrophobic/amphiphilic) copolymer model: Coil-globule transition versus aggregation
Publication type: Journal Article
Publication date: 2004-06-18
scimago Q1
wos Q1
SJR: 1.352
CiteScore: 9.0
Impact factor: 5.2
ISSN: 00249297, 15205835
Materials Chemistry
Organic Chemistry
Inorganic Chemistry
Polymers and Plastics
Abstract
For simulating hydrophobic−amphiphilic (HA) copolymers, we have developed a “side-chain” HA model in which hydrophilic (P) interaction sites are attached to hydrophobic (H) main chain, thereby forming amphiphilic (A) monomer units, each with dualistic (hydrophobic/hydrophilic) properties. Using this coarse-grained model, we performed molecular dynamics simulations of the hydrophobically driven self-assembly in a selective solvent, for both single-chain and multichain systems. The focus is on the regime in which H and P interaction sites are strongly segregated. Single-chain simulations are performed for copolymers with the same HA composition but with different distribution of H and A monomer units along the hydrophobic backbone, including regular copolymers comprising H and A units in alternating sequence, (HA)x, regular multiblock copolymers (HLAL)x composed of H and A blocks of equal lengths L = 3, and quasi-random proteinlike copolymers having quenched primary structure. In a solvent selectively poor ...
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75
Total citations:
75
Citations from 2024:
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(4%)
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Vasilevskaya V. V. et al. HA (hydrophobic/amphiphilic) copolymer model: Coil-globule transition versus aggregation // Macromolecules. 2004. Vol. 37. No. 14. pp. 5444-5460.
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Vasilevskaya V. V., Klochkov A. A., Lazutin A. A., Khalatur P. G., Khokhlov A. R. HA (hydrophobic/amphiphilic) copolymer model: Coil-globule transition versus aggregation // Macromolecules. 2004. Vol. 37. No. 14. pp. 5444-5460.
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RIS
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TY - JOUR
DO - 10.1021/ma0359741
UR - https://doi.org/10.1021/ma0359741
TI - HA (hydrophobic/amphiphilic) copolymer model: Coil-globule transition versus aggregation
T2 - Macromolecules
AU - Vasilevskaya, V. V.
AU - Klochkov, Alexei A
AU - Lazutin, A. A.
AU - Khalatur, Pavel G
AU - Khokhlov, Alexei R.
PY - 2004
DA - 2004/06/18
PB - American Chemical Society (ACS)
SP - 5444-5460
IS - 14
VL - 37
SN - 0024-9297
SN - 1520-5835
ER -
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BibTex (up to 50 authors)
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@article{2004_Vasilevskaya,
author = {V. V. Vasilevskaya and Alexei A Klochkov and A. A. Lazutin and Pavel G Khalatur and Alexei R. Khokhlov},
title = {HA (hydrophobic/amphiphilic) copolymer model: Coil-globule transition versus aggregation},
journal = {Macromolecules},
year = {2004},
volume = {37},
publisher = {American Chemical Society (ACS)},
month = {jun},
url = {https://doi.org/10.1021/ma0359741},
number = {14},
pages = {5444--5460},
doi = {10.1021/ma0359741}
}
Cite this
MLA
Copy
Vasilevskaya, V. V., et al. “HA (hydrophobic/amphiphilic) copolymer model: Coil-globule transition versus aggregation.” Macromolecules, vol. 37, no. 14, Jun. 2004, pp. 5444-5460. https://doi.org/10.1021/ma0359741.