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A Theoretical Study on Trehalose + Water Mixtures for Dry Preservation Purposes

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Department of Electrical and Electronic Engineering, University of Cagliari, 09123 Cagliari, Italy
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Department of Mechanical, Chemical and Materials Engineering, University of Cagliari, 09123 Cagliari, Italy
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Department of Chemistry, University of Burgos, 09001 Burgos, Spain
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Author to whom correspondence should be addressed.
Molecules 2020, 25(6), 1435; https://doi.org/10.3390/molecules25061435 (registering DOI)
Received: 5 February 2020 / Revised: 17 March 2020 / Accepted: 19 March 2020 / Published: 21 March 2020
(This article belongs to the Section Molecular Liquids)
The properties of trehalose + water mixtures are studied as a function of mixture composition and temperature using molecular dynamics simulations. As trehalose disaccharide has been proposed for dry preservation purposes, the objective of this work is to analyse the nanoscopic properties of the considered mixtures, in terms of aggregation, clustering, interactions energies, and local dynamics, and their relationships with hydrogen bonding. The reported results allow a detailed characterization of hydrogen bonding and its evolution with mixture composition and thus inferring the effects of trehalose on water structuring providing results to justify the mechanisms of trehalose acting as preservation agent. View Full-Text
Keywords: trehalose; water solutions; dry preservation; hydrogen bonding molecular dynamics trehalose; water solutions; dry preservation; hydrogen bonding molecular dynamics
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MDPI and ACS Style

Kumar, A.; Cincotti, A.; Aparicio, S. A Theoretical Study on Trehalose + Water Mixtures for Dry Preservation Purposes. Molecules 2020, 25, 1435.

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