2024
DOI: 10.1021/acs.biomac.4c00447
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Structure and Dynamics of Water in Polysaccharide (Alginate) Solutions and Gels Explained by the Core–Shell Model

Avery A. Agles,
Ian C. Bourg

Abstract: In both biological and engineered systems, polysaccharides offer a means of establishing structural stiffness without altering the availability of water. Notable examples include the extracellular matrix of prokaryotes and eukaryotes, artificial skin grafts, drug delivery materials, and gels for water harvesting. Proper design and modeling of these systems require detailed understanding of the behavior of water confined in pores narrower than about 1 nm. We use molecular dynamics simulations to investigate the… Show more

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