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Structure and dynamics of the hyaluronan oligosaccharides and their solvation shell in water: organic mixed solvents

The result's identifiers

  • Result code in IS VaVaI

    <a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F23%3A00566677" target="_blank" >RIV/61389013:_____/23:00566677 - isvavai.cz</a>

  • Alternative codes found

    RIV/00216208:11310/23:10466169 RIV/70883521:28110/23:63564798

  • Result on the web

    <a href="https://www.sciencedirect.com/science/article/pii/S0144861722014114?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S0144861722014114?via%3Dihub</a>

  • DOI - Digital Object Identifier

    <a href="http://dx.doi.org/10.1016/j.carbpol.2022.120506" target="_blank" >10.1016/j.carbpol.2022.120506</a>

Alternative languages

  • Result language

    angličtina

  • Original language name

    Structure and dynamics of the hyaluronan oligosaccharides and their solvation shell in water: organic mixed solvents

  • Original language description

    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.

  • Czech name

  • Czech description

Classification

  • Type

    J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database

  • CEP classification

  • OECD FORD branch

    10404 - Polymer science

Result continuities

  • Project

  • Continuities

    I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Others

  • Publication year

    2023

  • Confidentiality

    S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Data specific for result type

  • Name of the periodical

    Carbohydrate Polymers

  • ISSN

    0144-8617

  • e-ISSN

    1879-1344

  • Volume of the periodical

    304

  • Issue of the periodical within the volume

    15 March

  • Country of publishing house

    GB - UNITED KINGDOM

  • Number of pages

    11

  • Pages from-to

    120506

  • UT code for WoS article

    000924950800001

  • EID of the result in the Scopus database

    2-s2.0-85145655344