The DOI matches its Crossref record; 41 of the 41 references it cites were found in a registry or an index.
Poly(oxyethylene)−Water Interactions: A Molecular Dynamics Study
Abstract
Molecular dynamics simulations of a poly(oxyethylene) (POE) chain with 15 ethylene oxide (EO) units have been performed in an aqueous solution for 2 ns at 300 K and for 1 ns at 373 K, a cloud point for POE. The conformation and the hydration structure of POE and the structure and the dynamics of water molecules in the vicinity of POE were examined. The conformation of POE was transformed from a collapsed chain in the gas phase to a helix in water which was maintained for 2 ns. After a simulated annealing at 1000 K, POE still showed a preference for a helix. An extended network of POE−water and water−water hydrogen bonds was found throughout inside the helix, stabilizing the helix backbone. The same helical conformation was maintained even at 373 K. The pair distribution functions for water oxygen atoms near POE indicated significantly enhanced water structures in the hydrophilic region of POE, and to a lesser extent in the hydrophobic region, at both 300 and 373 K. Considerably reduced translational movements of water molecules near POE were also observed at both temperatures. All the results obtained from the simulation are in good agreement with experiments. We discuss the solubility and the phase behavior of POE in water, based on the observation from the simulations.
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Cites
Equation of State Calculations by Fast Computing Machines
Metropolis, N., Rosenbluth, A. W., Rosenbluth, M. N., Teller, A. H., & Teller, E. (1953) · The Journal of Chemical Physics · doi:10.1063/1.1699114 · Cited by 37,192
CHARMM: A program for macromolecular energy, minimization, and dynamics calculations
Brooks, B. R., Bruccoleri, R. E., Olafson, B. D., States, D. J., Swaminathan, S., & Karplus, M. (1983) · Journal of Computational Chemistry · doi:10.1002/jcc.540040211 · Cited by 14,944
Viscoelastic Properties of Polymers
Jones, W. M. (1981) · Journal of Non-Newtonian Fluid Mechanics · doi:10.1016/0377-0257(81)80036-5 · Cited by 11,092
Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules
Verlet, L. (1967) · Physical Review · doi:10.1103/physrev.159.98 · Cited by 9,534
Interaction Models for Water in Relation to Protein Hydration
Berendsen, H. J. C., Postma, J. P. M., van Gunsteren, W. F., & Hermans, J. (1981) · The Jerusalem Symposia on Quantum Chemistry and Biochemistry · doi:10.1007/978-94-015-7658-1_21 · Cited by 5,654
Algorithms for macromolecular dynamics and constraint dynamics
van Gunsteren, W. F., & Berendsen, H. J. C. (1977) · Molecular Physics · doi:10.1080/00268977700102571 · Cited by 1,732
Improved simulation of liquid water by molecular dynamics
Stillinger, F. H., & Rahman, A. (1974) · The Journal of Chemical Physics · doi:10.1063/1.1681229 · Cited by 1,687
Partition of Cell Particles and Macromolecules
Albertsson, P.-A. (1987) · Acta Biotechnologica Volume 7, Number 2 · doi:10.1515/9783112581520-008 · Cited by 1,535
Poly(Ethylene Glycol) Chemistry: Biotechnical and Biomedical Applications
(1992) · Springer eBooks · doi:10.1007/978-1-4899-0703-5 · Cited by 1,420
Jorgensen, W. L. (1981) · Journal of the American Chemical Society · doi:10.1021/ja00392a016 · Cited by 1,294
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Lutz, J. (2008) · Journal of Polymer Science Part A: Polymer Chemistry · doi:10.1002/pola.22706 · Cited by 1,245
Okada, Y., & Tanaka, F. (2005) · Macromolecules · doi:10.1021/ma0502497 · Cited by 405
Zheng, J., Li, L., Tsao, H.-K., Sheng, Y.-J., Chen, S., & Jiang, S. (2005) · Biophysical Journal · doi:10.1529/biophysj.105.059428 · Cited by 340
Müller, M. T., Yan, X., Lee, S., Perry, S. S., & Spencer, N. D. (2005) · Macromolecules · doi:10.1021/ma047468x · Cited by 86
Breton, M. F., Discala, F., Bacri, L., Foster, D., Pelta, J., & Oukhaled, A. (2013) · The Journal of Physical Chemistry Letters · doi:10.1021/jz400938q · Cited by 63
Metadata
- Authors
- Tasaki, K.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 1996-01-01
- Volume
- 118
- Issue
- 35
- Pages
- 8459-8469
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W1975493623
- Cited by
- 366
- References
- 41
- FWCI
- 5.88
- Type
- journal article
- Language
- en
- Open access
- closed
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