DOI: 10.1073/pnas.052153299. Drying-induced hydrophobic polymer collapse

Drying-induced hydrophobic polymer collapse

10.1073/pnas.052153299

Crossref journal-article

Proceedings of the National Academy of Sciences

Proceedings of the National Academy of Sciences (341)

Abstract

We have used computer simulation to study the collapse of a hydrophobic chain in water. We find that the mechanism of collapse is much like that of a first-order phase transition. The evaporation of water in the vicinity of the polymer provides the driving force for collapse, and the rate limiting step is the nucleation of a sufficiently large vapor bubble. The study is made possible through the application of transition path sampling and a coarse-grained treatment of liquid water. Relevance of our findings to understanding the folding and assembly of proteins is discussed.

Bibliography

ten Wolde, P. R., & Chandler, D. (2002). Drying-induced hydrophobic polymer collapse. Proceedings of the National Academy of Sciences, 99(10), 6539â6543.

Authors 2

Pieter Rein ten Wolde (first)
David Chandler (additional)

References 27 Referenced 258

10.1016/S0065-3233(08)60608-7
C Tanford The Hydrophobic Effect—Formation of Micelles and Biological Membranes (Wiley Interscience, New York, 1973). / The Hydrophobic Effect—Formation of Micelles and Biological Membranes by Tanford C (1973)
A Yu Grosberg, A R Khokhlov Statistical Physics of Macromolecules (AIP, New York, 1994). / Statistical Physics of Macromolecules by Yu Grosberg A (1994)
P-G DeGennes C R Acad Sci Ser II 313, 1117–1122 (1991). / C R Acad Sci Ser II by DeGennes P-G (1991)
10.1021/jp984327m
F H Stillinger Adv Chem Phys 31, 1–101 (1975). / Adv Chem Phys by Stillinger F H (1975)
10.1073/pnas.93.17.8951
10.1103/PhysRevE.65.011201
10.1007/BF00651970
10.1103/PhysRevLett.81.4400
D Chandler Introduction to Modern Statistical Mechanics (Oxford Univ. Press, New York, 1987). / Introduction to Modern Statistical Mechanics by Chandler D (1987)
10.1103/PhysRevE.48.2898
10.1021/jp0104029
D Frenkel, B Smit Understanding Molecular Simulation (Academic, 2nd Ed., New York, 2002). / Understanding Molecular Simulation by Frenkel D (2002)
D P Landau, K Binder A Guide to Monte Carlo Simulations in Statistical Physics (Cambridge Univ. Press, Cambridge, U.K., 2000). / A Guide to Monte Carlo Simulations in Statistical Physics by Landau D P (2000)
10.1063/1.436049
Bolhuis P. Chandler D. Dellago C. & Geissler P. L. (2001) Annu. Rev. Phys. Chem. in press.
10.1063/1.435308
10.1063/1.438701
10.1021/j100277a019
10.1063/1.475393
10.1073/pnas.79.13.4035
10.1021/jp013289v
10.1073/pnas.022387699
10.1038/319199a0
10.1073/pnas.95.11.6103
10.1063/1.469505

Dates

Type	When
Created	23 years, 1 month ago (July 26, 2002, 10:46 a.m.)
Deposited	3 years, 4 months ago (April 12, 2022, 3:17 p.m.)
Indexed	1 month ago (Aug. 2, 2025, 12:35 a.m.)
Issued	23 years, 4 months ago (April 30, 2002)
Published	23 years, 4 months ago (April 30, 2002)
Published Online	23 years, 4 months ago (April 30, 2002)
Published Print	23 years, 3 months ago (May 14, 2002)

Funders 0

None

BibTeX

@article{ten_Wolde_2002, title={Drying-induced hydrophobic polymer collapse}, volume={99}, ISSN={1091-6490}, url={http://dx.doi.org/10.1073/pnas.052153299}, DOI={10.1073/pnas.052153299}, number={10}, journal={Proceedings of the National Academy of Sciences}, publisher={Proceedings of the National Academy of Sciences}, author={ten Wolde, Pieter Rein and Chandler, David}, year={2002}, month=apr, pages={6539–6543} }

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