| Aggregation of non-polar solutes in water at different pressures and temperatures: The role of hydrophobic interaction. | |
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MedLine Citation:
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PMID: 23039616 Owner: NLM Status: Publisher |
Abstract/OtherAbstract:
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Due to the importance of the hydrophobic interaction in protein folding, we decided to study the effect of pressure and temperature on the phase transitions of non-polar solutes in water, and thereby their solubility, using molecular dynamics simulations. The main results are: (1) within a certain range, temperature induces the aggregation of Lennard-Jones particles in water; and (2) pressure induces disaggregation of the formed clusters. From the simulated data, a non-monotonic coexistence curve for the binary system was obtained, from which a critical point of T(c) = 383 ± 9 K and p(c) = 937 ± 11 bar was determined. The results are in accordance with previous experimental evidence involving transitions of hydrocarbons in water mixtures, and protein unfolding. |
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Authors:
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C Gastón Ferrara; Osvaldo Chara; J Raúl Grigera |
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Publication Detail:
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Type: JOURNAL ARTICLE |
Journal Detail:
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Title: The Journal of chemical physics Volume: 137 ISSN: 1089-7690 ISO Abbreviation: J Chem Phys Publication Date: 2012 Oct |
Date Detail:
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Created Date: 2012-10-8 Completed Date: - Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0375360 Medline TA: J Chem Phys Country: - |
Other Details:
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Languages: ENG Pagination: 135104 Citation Subset: - |
Affiliation:
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Instituto de Física de Líquidos y Sistemas Biológicos (IFLYSIB) CONICET-UNLP, 59-789, B1900 La Plata, Argentina. |
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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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