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

Kód výsledku v 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>

Nalezeny alternativní kódy

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

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10404 - Polymer science

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

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

Název periodika

Carbohydrate Polymers

ISSN

0144-8617

e-ISSN

1879-1344

Svazek periodika

304

Číslo periodika v rámci svazku

15 March

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

11

Strana od-do

120506

Kód UT WoS článku

000924950800001

EID výsledku v databázi Scopus

2-s2.0-85145655344