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231225s2017 xx |||||o 00| ||eng c |
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|a 10.1021/acs.langmuir.7b02249
|2 doi
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|a pubmed25n0915.xml
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|a (DE-627)NLM274631938
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|a (NLM)28789526
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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|a Zhao, Binwu
|e verfasserin
|4 aut
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|a Predicting the Fluid-Phase Behavior of Aqueous Solutions of ELP (VPGVG) Sequences Using SAFT-VR
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|c 2017
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|a Text
|b txt
|2 rdacontent
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|a ƒaComputermedien
|b c
|2 rdamedia
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|a ƒa Online-Ressource
|b cr
|2 rdacarrier
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|a Date Completed 31.07.2018
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|a Date Revised 31.07.2018
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|a published: Print-Electronic
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|a Citation Status PubMed-not-MEDLINE
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|a The statistical associating fluid theory for potentials of variable range (SAFT-VR) is used to predict the fluid phase behavior of elastin-like polypeptide (ELP) sequences in aqueous solution with special focus on the loci of lower critical solution temperatures (LCSTs). A SAFT-VR model for these solutions is developed following a coarse-graining approach combining information from atomistic simulations and from previous SAFT models for previously reported relevant systems. Constant-pressure temperature-composition phase diagrams are determined for solutions of (VPGVG)n sequences + water with n = 1 to 300. The SAFT-VR equation of state lends itself to the straightforward calculation of phase boundaries so that complete fluid-phase equilibria can be calculated efficiently. A broad range of thermodynamic conditions of temperature and pressure are considered, and regions of vapor-liquid and liquid-liquid coexistence, including LCSTs, are found. The calculated phase boundaries at low concentrations match those measured experimentally. The temperature-composition phase diagrams of the aqueous ELP solutions at low pressure (0.1 MPa) are similar to those of types V and VI phase behavior in the classification of Scott and van Konynenburg. An analysis of the high-pressure phase behavior confirms, however, that a closed-loop liquid-liquid immiscibility region, separate from the gas-liquid envelope, is present for aqueous solutions of (VPGVG)30; such a phase diagram is typical of type VI phase behavior. ELPs with shorter lengths exhibit both liquid-liquid and gas-liquid regions, both of which become less extensive as the chain length of the ELP is decreased. The strength of the hydrogen-bonding interaction is also found to affect the phase diagram of the (VPGVG)30 system in that the liquid-liquid and gas-liquid regions expand as the hydrogen-bonding strength is decreased and shrink as it is increased. The LCSTs of the mixtures are seen to decrease as the ELP chain length is increased
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|a Journal Article
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|a Research Support, U.S. Gov't, Non-P.H.S.
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|a Research Support, Non-U.S. Gov't
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| 700 |
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|a Lindeboom, Tom
|e verfasserin
|4 aut
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1 |
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|a Benner, Steven
|e verfasserin
|4 aut
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| 700 |
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|a Jackson, George
|e verfasserin
|4 aut
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| 700 |
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|a Galindo, Amparo
|e verfasserin
|4 aut
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| 700 |
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|a Hall, Carol K
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Langmuir : the ACS journal of surfaces and colloids
|d 1985
|g 33(2017), 42 vom: 24. Okt., Seite 11733-11745
|w (DE-627)NLM098181009
|x 1520-5827
|7 nnns
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| 773 |
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|g volume:33
|g year:2017
|g number:42
|g day:24
|g month:10
|g pages:11733-11745
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|u http://dx.doi.org/10.1021/acs.langmuir.7b02249
|3 Volltext
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