2026-06-03T02:39:03Zhttps://riubu.ubu.es/oai/request

oai:riubu.ubu.es:10259/94842024-07-26T00:05:26Zcom_10259_4323com_10259_5086com_10259_2604col_10259_4330

Kumar, Amit 4711a624-8a56-462e-b408-6e6e36c6539d 600 Cincotti, Alberto a2e741fb-b446-4314-a3fa-34a644449b70 600 Aparicio Martínez, Santiago 30 600 0000-0001-9996-2426 2024-07-25T11:11:56Z 2024-07-25T11:11:56Z 2020-03-21 1420-3049 http://hdl.handle.net/10259/9484 10.3390/molecules25061435 1420-3049 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. 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. application/pdf eng MDPI Molecules. 2020, V. 25, n. 6, 1435 https://doi.org/10.3390/molecules25061435 Atribución 4.0 Internacional http://creativecommons.org/licenses/by/4.0/ info:eu-repo/semantics/openAccess Trehalose Waste solutions Dry preservation Hydrogen bonding molecular dynamics Química física Chemistry, Physical and theoretical A Theoretical Study on Trehalose + Water Mixtures for Dry Preservation Purposes info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Molecules 25 6 THUMBNAIL Kumar-Molecules_2020.pdf.jpg Kumar-Molecules_2020.pdf.jpg IM Thumbnail image/jpeg 3334 https://riubu.ubu.es/bitstream/10259/9484/4/Kumar-Molecules_2020.pdf.jpg 7cd9c8796eaf673b5f17244c348f5a7c MD5 4 LICENSE license.txt license.txt text/plain; charset=utf-8 998 https://riubu.ubu.es/bitstream/10259/9484/3/license.txt aa90105e1c90a1b4fe810649aa967b7d MD5 3 CC-LICENSE license_rdf license_rdf application/rdf+xml; charset=utf-8 908 https://riubu.ubu.es/bitstream/10259/9484/2/license_rdf 0175ea4a2d4caec4bbcc37e300941108 MD5 2 ORIGINAL Kumar-Molecules_2020.pdf Kumar-Molecules_2020.pdf application/pdf 8589115 https://riubu.ubu.es/bitstream/10259/9484/1/Kumar-Molecules_2020.pdf ec1d1815b1d5e7df51a081071d2459c1 MD5 1 10259/9484 oai:riubu.ubu.es:10259/9484 2024-07-26 02:05:26.076 Repositorio Institucional de la Universidad de Burgos bubrep@ubu.es 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