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Using coarse-grained molecular dynamics to rationalize biomolecule solubilization mechanisms in ionic liquid-based colloidal systems

Bastos, H, Bento, R, Schaeffer, N, Coutinho, JAP and Perez-Sanchez, G 2020, Using coarse-grained molecular dynamics to rationalize biomolecule solubilization mechanisms in ionic liquid-based colloidal systems, Physical Chemistry Chemical Physics, vol. 22, no. 42, pp. 24771-24783, doi: 10.1039/d0cp04942e.

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Title Using coarse-grained molecular dynamics to rationalize biomolecule solubilization mechanisms in ionic liquid-based colloidal systems
Author(s) Bastos, H
Bento, R
Schaeffer, N
Coutinho, JAP
Perez-Sanchez, G
Journal name Physical Chemistry Chemical Physics
Volume number 22
Issue number 42
Start page 24771
End page 24783
Total pages 13
Publisher Royal Society of Chemistry (RSC)
Place of publication Cambridge, Eng.
Publication date 2020-11-14
ISSN 1463-9076
1463-9084
Keyword(s) AGGREGATION BEHAVIOR
Chemistry
Chemistry, Physical
FORCE-FIELD
GALLIC ACID
IBUPROFEN
MILD-STEEL
MONTE-CARLO
PHASE-BEHAVIOR
Physical Sciences
Physics
Physics, Atomic, Molecular & Chemical
Science & Technology
SIMULATION
SURFACTANT
WATER
Summary

Understanding the spectrum of solubilization mechanisms as a key to improve the extraction of poorly soluble compounds.

Language eng
DOI 10.1039/d0cp04942e
Field of Research 02 Physical Sciences
03 Chemical Sciences
09 Engineering
HERDC Research category C1.1 Refereed article in a scholarly journal
Persistent URL http://hdl.handle.net/10536/DRO/DU:30165389

Document type: Journal Article
Collections: Institute for Frontier Materials
GTP Research
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Created: Mon, 28 Mar 2022, 08:27:45 EST

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