Relationships between Molecular Structure of Carbohydrates and Their Dynamic Hydration Shells Revealed by Terahertz Time-Domain Spectroscopy

Despite more than a century of research on the hydration of biomolecules, the hydration of carbohydrates is insufficiently studied. An approach to studying dynamic hydration shells of carbohydrates in aqueous solutions based on terahertz time-domain spectroscopy assay is developed in the current wor...

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Autor principal:	Nikita V. Penkov
Formato:	article
Lenguaje:	EN
Publicado:	MDPI AG 2021
Materias:	THz-TDS hydration shells carbohydrate hydration water structure dielectric properties polysaccharides Biology (General) QH301-705.5 Chemistry QD1-999
Acceso en línea:	https://doaj.org/article/96c1bb2430ff45c7b79fa886a17c6e3a
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spelling	oai:doaj.org-article:96c1bb2430ff45c7b79fa886a17c6e3a2021-11-11T17:23:28ZRelationships between Molecular Structure of Carbohydrates and Their Dynamic Hydration Shells Revealed by Terahertz Time-Domain Spectroscopy10.3390/ijms2221119691422-00671661-6596https://doaj.org/article/96c1bb2430ff45c7b79fa886a17c6e3a2021-11-01T00:00:00Zhttps://www.mdpi.com/1422-0067/22/21/11969https://doaj.org/toc/1661-6596https://doaj.org/toc/1422-0067Despite more than a century of research on the hydration of biomolecules, the hydration of carbohydrates is insufficiently studied. An approach to studying dynamic hydration shells of carbohydrates in aqueous solutions based on terahertz time-domain spectroscopy assay is developed in the current work. Monosaccharides (glucose, galactose, galacturonic acid) and polysaccharides (dextran, amylopectin, polygalacturonic acid) solutions were studied. The contribution of the dissolved carbohydrates was subtracted from the measured dielectric permittivities of aqueous solutions based on the corresponding effective medium models. The obtained dielectric permittivities of the water phase were used to calculate the parameters describing intermolecular relaxation and oscillatory processes in water. It is established that all of the analyzed carbohydrates lead to the increase of the binding degree of water. Hydration shells of monosaccharides are characterized by elevated numbers of hydrogen bonds and their mean energies compared to undisturbed water, as well as by elevated numbers and the lifetime of free water molecules. The axial orientation of the OH(4) group of sugar facilitates a wider distribution of hydrogen bond energies in hydration shells compared to equatorial orientation. The presence of the carboxylic group affects water structure significantly. The hydration of polysaccharides is less apparent than that of monosaccharides, and it depends on the type of glycosidic bonds.Nikita V. PenkovMDPI AGarticleTHz-TDShydration shellscarbohydrate hydrationwater structuredielectric propertiespolysaccharidesBiology (General)QH301-705.5ChemistryQD1-999ENInternational Journal of Molecular Sciences, Vol 22, Iss 11969, p 11969 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	THz-TDS hydration shells carbohydrate hydration water structure dielectric properties polysaccharides Biology (General) QH301-705.5 Chemistry QD1-999
spellingShingle	THz-TDS hydration shells carbohydrate hydration water structure dielectric properties polysaccharides Biology (General) QH301-705.5 Chemistry QD1-999 Nikita V. Penkov Relationships between Molecular Structure of Carbohydrates and Their Dynamic Hydration Shells Revealed by Terahertz Time-Domain Spectroscopy
description	Despite more than a century of research on the hydration of biomolecules, the hydration of carbohydrates is insufficiently studied. An approach to studying dynamic hydration shells of carbohydrates in aqueous solutions based on terahertz time-domain spectroscopy assay is developed in the current work. Monosaccharides (glucose, galactose, galacturonic acid) and polysaccharides (dextran, amylopectin, polygalacturonic acid) solutions were studied. The contribution of the dissolved carbohydrates was subtracted from the measured dielectric permittivities of aqueous solutions based on the corresponding effective medium models. The obtained dielectric permittivities of the water phase were used to calculate the parameters describing intermolecular relaxation and oscillatory processes in water. It is established that all of the analyzed carbohydrates lead to the increase of the binding degree of water. Hydration shells of monosaccharides are characterized by elevated numbers of hydrogen bonds and their mean energies compared to undisturbed water, as well as by elevated numbers and the lifetime of free water molecules. The axial orientation of the OH(4) group of sugar facilitates a wider distribution of hydrogen bond energies in hydration shells compared to equatorial orientation. The presence of the carboxylic group affects water structure significantly. The hydration of polysaccharides is less apparent than that of monosaccharides, and it depends on the type of glycosidic bonds.
format	article
author	Nikita V. Penkov
author_facet	Nikita V. Penkov
author_sort	Nikita V. Penkov
title	Relationships between Molecular Structure of Carbohydrates and Their Dynamic Hydration Shells Revealed by Terahertz Time-Domain Spectroscopy
title_short	Relationships between Molecular Structure of Carbohydrates and Their Dynamic Hydration Shells Revealed by Terahertz Time-Domain Spectroscopy
title_full	Relationships between Molecular Structure of Carbohydrates and Their Dynamic Hydration Shells Revealed by Terahertz Time-Domain Spectroscopy
title_fullStr	Relationships between Molecular Structure of Carbohydrates and Their Dynamic Hydration Shells Revealed by Terahertz Time-Domain Spectroscopy
title_full_unstemmed	Relationships between Molecular Structure of Carbohydrates and Their Dynamic Hydration Shells Revealed by Terahertz Time-Domain Spectroscopy
title_sort	relationships between molecular structure of carbohydrates and their dynamic hydration shells revealed by terahertz time-domain spectroscopy
publisher	MDPI AG
publishDate	2021
url	https://doaj.org/article/96c1bb2430ff45c7b79fa886a17c6e3a
work_keys_str_mv	AT nikitavpenkov relationshipsbetweenmolecularstructureofcarbohydratesandtheirdynamichydrationshellsrevealedbyterahertztimedomainspectroscopy
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Relationships between Molecular Structure of Carbohydrates and Their Dynamic Hydration Shells Revealed by Terahertz Time-Domain Spectroscopy

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