Dataset Information

Why Are Saccharides Dehydrated in the Presence of Electrolytes? Insights from Molecular Modeling and Thermodynamic Measurements.

ABSTRACT: The mechanisms governing the interactions of neutral polar solutes with ions in aqueous solutions are still poorly understood, despite the importance of this phenomenon in many fields (chemistry, physicochemistry, biology, food industries). In order to go further through the understanding of the molecular mechanisms governing the ions' specific effects, this paper presents a generic method dealing with the characterization and understanding of interactions between saccharides and ions in aqueous systems. For that, an original approach combining a computational technique and experimental measurements (thermodynamic properties) is proposed to explain and rationalize the relationship between the solute hydration and the physical chemistry of the ions in solution (cation/anion, charge, size, and hydration). These relationships make it possible to evaluate the hydration state of a saccharide, a polar neutral molecule, according to the ionic composition, from the knowledge of the ions' hydration properties. This work proposes new insight into molecular mechanisms governing the polar neutral solute/ion interactions and a new understanding of the hydration phenomenon in electrolytic solutions.

SUBMITTER: Teychene J

PROVIDER: S-EPMC6276038 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

Why Are Saccharides Dehydrated in the Presence of Electrolytes? Insights from Molecular Modeling and Thermodynamic Measurements.

Teychené Johanne J Balmann Hélène Roux-de HR Maron Laurent L Galier Sylvain S

ACS central science 20181031 11

The mechanisms governing the interactions of neutral polar solutes with ions in aqueous solutions are still poorly understood, despite the importance of this phenomenon in many fields (chemistry, physicochemistry, biology, food industries). In order to go further through the understanding of the molecular mechanisms governing the ions' specific effects, this paper presents a generic method dealing with the characterization and understanding of interactions between saccharides and ions in aqueous ...[more]

PMID: 30555905

Similar Datasets

Project description:Solubilizing membrane proteins for functional, structural and thermodynamic studies is usually achieved with the help of detergents, which, however, tend to destabilize them. Several classes of non-detergent surfactants have been designed as milder substitutes for detergents, most prominently amphipathic polymers called 'amphipols' and fluorinated surfactants. Here we test the potential usefulness of these compounds for thermodynamic studies by examining their effect on conformational transitions of the diphtheria toxin T-domain. The advantage of the T-domain as a model system is that it exists as a soluble globular protein at neutral pH yet is converted into a membrane-competent form by acidification and inserts into the lipid bilayer as part of its physiological action. We have examined the effects of various surfactants on two conformational transitions of the T-domain, thermal unfolding and pH-induced transition to a membrane-competent form. All tested detergent and non-detergent surfactants lowered the cooperativity of the thermal unfolding of the T-domain. The dependence of enthalpy of unfolding on surfactant concentration was found to be least for fluorinated surfactants, thus making them useful candidates for thermodynamic studies. Circular dichroism measurements demonstrate that non-ionic homopolymeric amphipols (NAhPols), unlike any other surfactants, can actively cause a conformational change of the T-domain. NAhPol-induced structural rearrangements are different from those observed during thermal denaturation and are suggested to be related to the formation of the membrane-competent form of the T-domain. Measurements of leakage of vesicle content indicate that interaction with NAhPols not only does not prevent the T-domain from inserting into the bilayer, but it can make bilayer permeabilization even more efficient, whereas the pH-dependence of membrane permeabilization becomes more cooperative. This article is part of a Special Issue entitled: Protein Folding in Membranes.

Dataset Information

Why Are Saccharides Dehydrated in the Presence of Electrolytes? Insights from Molecular Modeling and Thermodynamic Measurements.

Publications

Why Are Saccharides Dehydrated in the Presence of Electrolytes? Insights from Molecular Modeling and Thermodynamic Measurements.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets