A Theoretical Study on Trehalose + Water Mixtures for Dry Preservation Purposes.
dry preservation
hydrogen bonding molecular dynamics
trehalose
water solutions
Journal
Molecules (Basel, Switzerland)
ISSN: 1420-3049
Titre abrégé: Molecules
Pays: Switzerland
ID NLM: 100964009
Informations de publication
Date de publication:
21 Mar 2020
21 Mar 2020
Historique:
received:
05
02
2020
revised:
17
03
2020
accepted:
19
03
2020
entrez:
5
4
2020
pubmed:
5
4
2020
medline:
15
1
2021
Statut:
epublish
Résumé
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.
Identifiants
pubmed: 32245231
pii: molecules25061435
doi: 10.3390/molecules25061435
pmc: PMC7145318
pii:
doi:
Substances chimiques
Solutions
0
Water
059QF0KO0R
Trehalose
B8WCK70T7I
Types de publication
Journal Article
Langues
eng
Sous-ensembles de citation
IM
Subventions
Organisme : Horizon 2020 Framework Programme
ID : DRYNET; Grant No. 734434
Organisme : SCAYLE (Supercomputación Castilla y León, Spain)
ID : UBU-DQ
Références
Phys Rev B Condens Matter. 1988 Jan 15;37(2):785-789
pubmed: 9944570
PLoS One. 2018 Jan 5;13(1):e0190713
pubmed: 29304068
J Phys Chem B. 1998 Apr 30;102(18):3586-616
pubmed: 24889800
J Chem Phys. 2010 Apr 21;132(15):154104
pubmed: 20423165
PLoS One. 2015 Jun 26;10(6):e0130323
pubmed: 26115179
J Chem Theory Comput. 2020 Feb 11;16(2):1249-1262
pubmed: 31917927
Faraday Discuss. 2018 Jan 1;206:219-245
pubmed: 28933482
Phys Rev A Gen Phys. 1988 Sep 15;38(6):3098-3100
pubmed: 9900728
J Comput Chem. 2011 Aug;32(11):2359-68
pubmed: 21541964
ACS Appl Mater Interfaces. 2015 Mar 4;7(8):5017-28
pubmed: 25679454
J Phys Chem A. 2018 Aug 16;122(32):6633-6642
pubmed: 29996044
Phys Chem Chem Phys. 2014 Jun 21;16(23):11555-65
pubmed: 24803351
Biol Reprod. 2005 Oct;73(4):627-33
pubmed: 15930320
Trends Biotechnol. 2002 Oct;20(10):420-5
pubmed: 12220904
J Chem Inf Model. 2011 Aug 22;51(8):2007-23
pubmed: 21761915
Molecules. 2008 Aug 21;13(8):1773-816
pubmed: 18794785
J Pharm Sci. 2011 Jun;100(6):2020-53
pubmed: 21337544
J Chem Phys. 2006 Jan 14;124(2):024503
pubmed: 16422607
J Chem Theory Comput. 2013 Aug 13;9(8):3263-6
pubmed: 26584086
J Comput Chem. 2009 Oct;30(13):2157-64
pubmed: 19229944
Biomed Rep. 2017 Mar;6(3):314-318
pubmed: 28451392
Sci Rep. 2016 Jul 08;6:28795
pubmed: 27387435
Colloids Surf B Biointerfaces. 2005 Feb 10;40(2):107-13
pubmed: 15642461
J Am Chem Soc. 2010 May 12;132(18):6498-506
pubmed: 20394428
Biophys J. 1996 Oct;71(4):2087-93
pubmed: 8889183