Susmita Sarkar, Anku Guha, Tharangattu N. Narayanan, Jagannath Mondal
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Natural selection has driven the convergence toward a selected set of osmolytes, endowing them with the necessary efficiency to manage stress arising from salt diversity. This study combines atomistic simulations and experiments to investigate how two osmolytes, glycine and betaine, individually modulate the Hofmeister ion ordering of alkali metal salts (LiCl, KCl, and CsCl) near a charged silica interface. Both osmolytes are found to prevent salt-induced aggregation of the charged entities, yet their mode and degree of relative modulation depend on their intricate interplay with specific salt cations. Betaine’s ion-mediated surface interaction maintains Hofmeister ion ordering, whereas glycine alters the relative Hofmeister order of the cation by salt-specific ion desorption from the surface. Experimental validation through surface-enhanced Raman spectroscopy supports these findings, elucidating osmolyte-mediated alterations in interfacial water structures. These observations based on an inorganic interface are reciprocated in amyloid beta 40 dimerization dynamics, highlighting osmolytes’ efficacy in mitigating salt-induced aggregation. A molecular analysis suggests that the differential modes of interaction, as found here for glycine and betaine, are prevalent across classes of zwitterionic osmolytes.
期刊介绍:
An essential criterion for acceptance of research articles in the journal is that they provide new physical insight. Please refer to the New Physical Insights virtual issue on what constitutes new physical insight. Manuscripts that are essentially reporting data or applications of data are, in general, not suitable for publication in JPC B.