RT info:eu-repo/semantics/article
T1 A Theoretical Study on Trehalose + Water Mixtures for Dry Preservation Purposes
A1 Kumar, Amit
A1 Cincotti, Alberto
A1 Aparicio Martínez, Santiago
K1 Trehalose
K1 Waste solutions
K1 Dry preservation
K1 Hydrogen bonding molecular dynamics
K1 Química física
K1 Chemistry, Physical and theoretical
AB 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.
PB MDPI
SN 1420-3049
YR 2020
FD 2020-03-21
LK http://hdl.handle.net/10259/9484
UL http://hdl.handle.net/10259/9484
LA eng
NO This work was funded by the European Union’s Horizon 2020 under the Marie Skłodowska-Curie “Research and Innovation Staff Exchange (RISE)” (DRYNET; Grant No. 734434). We acknowledge SCAYLE (Supercomputación Castilla y León, Spain) for providing supercomputing facilities. The statements made herein are solely the responsibility of the authors.
DS Repositorio Institucional de la Universidad de Burgos
RD 23-nov-2024