ArticleJournal of chemical theory and computation2020
Properties of Aqueous Trehalose Mixtures: Glass Transition and Hydrogen Bonding.
Article in Journal of chemical theory and computation, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 23 papers.
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Who cites it
23 citing papers in PubMed, 69 citations in OpenAlex.
- Trehalose: a multifunctional sugar and its metabolites are biotechnological targets for crop salinity tolerance under saline conditions.Plant molecular biology · 2026Review
- Stability Under Different Stress Treatments of a Virus-like Particle Vaccine Based on a Recombinant Hepatitis E Vaccine.Pharmaceuticals (Basel, Switzerland) · 2026Article
- Drying parameters and aging modulate protective properties of vitrified trehalose.bioRxiv : the preprint server for biology · 2026Article
- Evaluation of Different Cryoprotectant Combinations in Vitrification and Slow Freezing for Ovarian Tissue Preservation in Domestic Cats.Reproduction in domestic animals = Zuchthygiene · 2025Article
- Antibody Aggregation: A Problem Within the Biopharmaceutical Industry and Its Role in AL Amyloidosis Disease.The protein journal · 2025Review
- Dual-Mechanism Gastroretentive Tablets with Encapsulated Gentian Root Extract.Pharmaceutics · 2025Article
- Sucrose versus Trehalose: Observations from Comparative Study Using Molecular Dynamics Simulations.ACS omega · 2024Article
- Protecting Proteins from Desiccation Stress Using Molecular Glasses and Gels.Chemical reviews · 2024Review
- A review on the functional roles of trehalose during cryopreservation of small ruminant semen.Frontiers in veterinary science · 2024Review
- Water content, transition temperature and fragility influence protection and anhydrobiotic capacity.BBA advances · 2024Article
- Lyoprotectant Constituents Suited for Lyophilization and Reconstitution of Stem-Cell-Derived Extracellular Vesicles.Biomaterials research · 2024Article
- Not Always Sticky: Specificity of Protein Stabilization by Sugars Is Conferred by Protein-Water Hydrogen Bonds.Journal of the American Chemical Society · 2023Article
- Upgrade ofJournal of applied crystallography · 2023Article
- Study of Oncolytic Virus Preservation and Formulation.Pharmaceuticals (Basel, Switzerland) · 2023Review
- Scalable cryopreservation of infectious Cryptosporidium hominis oocysts by vitrification.PLoS pathogens · 2023Article
- The breaking of fungal spore dormancy: A coordinated transition.PLoS biology · 2023Article
- Insect cross-tolerance to freezing and drought stress: role of metabolic rearrangement.Proceedings. Biological sciences · 2022Article
- Structural Analysis of Molecular Materials Using the Pair Distribution Function.Chemical reviews · 2022Review
- Clinical translation of hyperpolarizedMagnetic resonance in medicine · 2022Article
- Metabolomics analysis of buck semen cryopreserved with trehalose.Frontiers in genetics · 2022Article
Corrections and comments
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Authors and funding
3 authors at 2 institutions in 2 countries.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Trehalose is a naturally occurring disaccharide known to remarkably stabilize biomacromolecules in the biologically active state. The stabilizing effect is typically observed over a large concentration range and affects many macromolecules including proteins, lipids, and DNA. Of special interest is the transition from aqueous solution to the dense and highly concentrated glassy state of trehalose that has been implicated in bioadaptation of different organisms toward desiccation stress. Although several mechanisms have been suggested to link the structure of the low water content glass with its action as an exceptional stabilizer, studies are ongoing to resolve which are most pertinent. Specifically, the role that hydrogen bonding plays in the formation of the glass is not well resolved. Here we model aqueous trehalose mixtures over a wide concentration range, using molecular dynamics simulations with two available force fields. Both force fields indicate glass transition temperatures and osmotic pressures that are close to experimental values, particularly at high trehalose contents. We develop and employ a methodology that allows us to analyze the thermodynamics of hydrogen bonds in simulations at different water contents and temperatures. Remarkably, this analysis is able to link the liquid to glass transition with changes in hydrogen bond characteristics. Most notably, the onset of the glassy state can be quantitatively related to the transition from weakly to strongly correlated hydrogen bonds. Our findings should help resolve the properties of the glass and the mechanisms of its formation in the presence of added macromolecules.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.