Structure and dynamics of the hyaluronan oligosaccharides and their solvation shell in water: organic mixed solvents
Jazyk angličtina Země Anglie, Velká Británie Médium print-electronic
Typ dokumentu časopisecké články
PubMed
36641172
DOI
10.1016/j.carbpol.2022.120506
PII: S0144-8617(22)01411-4
Knihovny.cz E-zdroje
- Klíčová slova
- 1,4-Dioxane, Hyaluronan, Mixed solvent, Molecular dynamics, Solvent separation, Tert-butanol,
- MeSH
- kyselina hyaluronová * MeSH
- oligosacharidy MeSH
- rozpouštědla chemie MeSH
- terc-butanol MeSH
- voda * chemie MeSH
- zvířata MeSH
- Check Tag
- zvířata MeSH
- Publikační typ
- časopisecké články MeSH
- Názvy látek
- kyselina hyaluronová * MeSH
- oligosacharidy MeSH
- rozpouštědla MeSH
- terc-butanol MeSH
- voda * MeSH
Hyaluronan (HA) is a natural polysaccharide occurring ubiquitously in the connective tissues of vertebrates widely used in the cosmetic and pharmaceutic industries. In numerous applications HA oligosaccharides are being chemically modified using reactions incompatible with aqueous solutions, often carried out in water:organic mixed solvents. We carry out molecular-dynamics (MD) simulations of HA oligosaccharides in water:1,4-dioxane and water:tert-butanol mixtures of different compositions. HA molecule causes a separation of the solvent components in its surroundings, especially in tert-butanol containing solutions, constituting thus a solvation shell enriched by water. Furthermore, interactions with ions are stronger than in pure water and depend on the solvent composition. Consequently, the dynamics of the HA chain varies with the solvent composition and causes observable conformational changes of the HA oligosaccharide. Composition of mixed solvents thus enables us to modify the interaction of HA with other molecules as well as its reactivity.
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