The solvation shell is essential for the folding and function of proteins, but how it contributes to protein misfolding and aggregation has still to be elucidated. We show that the mobility of solvation shell H O molecules influences the aggregation rate of the amyloid protein α-synuclein (αSyn), a protein associated with Parkinson's disease. When the mobility of H O within the solvation shell is reduced by the presence of NaCl, αSyn aggregation rate increases. Conversely, in the presence CsI the mobility of the solvation shell is increased and αSyn aggregation is reduced. Changing the solvent from H O to D O leads to increased aggregation rates, indicating a solvent driven effect. We show the increased aggregation rate is not directly due to a change in the structural conformations of αSyn, it is also influenced by a reduction in both the H O mobility and αSyn mobility. We propose that reduced mobility of αSyn contributes to increased aggregation by promoting intermolecular interactions.
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http://dx.doi.org/10.1002/anie.202212063 | DOI Listing |
J Phys Chem A
January 2025
Ufa Institute of Chemistry, Ufa Federal Research Centre of the Russian Academy of Sciences, Laboratory of Physicochemical Methods of Analysis, 69 Prospekt Oktyabrya, Ufa 450054, Russian Federation.
The first-stage acid-base equilibrium of 5,5,6-trihydroxy-6-methyldihydropyrimidine-2,4(1,3)-dione was studied for the first time in aqueous solutions. Its constant (pK = 9.23 ± 0.
View Article and Find Full Text PDFAcc Chem Res
January 2025
Center for Molecular Spectroscopy and Dynamics, Institute for Basic Science, Seoul 02841, Korea.
ConspectusWater-in-salt electrolytes (WiSEs) are promising electrolytes for next-generation lithium-ion batteries (LIBs), offering critical advantages like nonflammability and improved safety. These electrolytes have extremely high salt concentrations and exhibit unique solvation structures and transport mechanisms dominated by the formation of ion networks and aggregates. These ion networks are central to the performance of WiSEs, govern the transport properties and stability of the electrolyte, deviating from conventional dilute aqueous or organic electrolytes.
View Article and Find Full Text PDFNucleic Acids Res
December 2024
Université de Strasbourg, Architecture et Réactivité de l'ARN, Institut de Biologie Moléculaire et Cellulaire du CNRS, 2 Allée Konrad Roentgen, 67084 Strasbourg, France.
The importance of Mg2+ ions for RNA structure and function cannot be overstated. Several attempts were made to establish a comprehensive Mg2+ binding site classification. However, such descriptions were hampered by poorly modelled ion binding sites as observed in a recent cryo-EM 1.
View Article and Find Full Text PDFRSC Adv
January 2025
Department of Chemical and Biomolecular Engineering, Case Western Reserve University Cleveland OH USA
Water-in-salt electrolytes provide an expanded electrochemical potential window, thus enabling a wide range of battery chemistries based on readily available salts and water. This study introduces a binary salt approach for achieving high K concentration with a tunable solvation sphere composed of acetate (Ac) and trifluoromethane sulfonate (OTf) anions, and water. Combining the hydrophilic low-cost potassium acetate with hydrophobic potassium trifluoromethane sulfonate salts, 36 molal liquid electrolyte, K(Ac)(OTf)·1.
View Article and Find Full Text PDFACS Omega
December 2024
Instituto de Ciencias Físicas, Universidad Nacional Autónoma de México, Cuernavaca, Morelos 62210, México.
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