Laurent, H orcid.org/0000-0002-8925-4773, Baker, DL orcid.org/0000-0002-5145-3320, Soper, AK orcid.org/0000-0002-7903-8356 et al. (2 more authors) (2020) Solute Specific Perturbations to Water Structure and Dynamics in Tertiary Aqueous Solution. The Journal of Physical Chemistry B, 124 (48). pp. 10983-10993. ISSN 1520-6106
Abstract
Liquid water is known as the “universal” solvent, capable of dissolving a wide variety of different solutes. While much is now understood about the impact of solutes on the water structure in binary solutions, it is much more challenging to deconvolute the potentially competing effects of more complex solutions. Here, we present a correlative NMR and neutron diffraction study to examine the solute induced perturbation of water structure and dynamics in a tertiary solution containing the naturally occurring osmolyte trimethylamine N-oxide (TMAO) and magnesium perchlorate (Mg(ClO4)2). We show that while TMAO and Mg(ClO4)2 perturb the water structure in an opposing manner, the two solutes slow water dynamics in an additive manner. We quantify the relative ability of each solute to perturb water by introducing a weighting parameter and show that TMAO is 1.54 times more effective at perturbing water structure and dynamics than Mg(ClO4)2. The combination of NMR, neutron diffraction, and computational modelling offers unprecedented access to the structure and dynamics of more complex aqueous solutions, permitting the deconvolution of solute specific perturbation of water. Such insight provides a new route to understand this universal solvent in the context of important and relevant aqueous environments.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2020 American Chemical Society. This is an author produced version of an article published in The Journal of Physical Chemistry B. Uploaded in accordance with the publisher's self-archiving policy. |
Dates: |
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Institution: | The University of Leeds |
Academic Units: | The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Physics and Astronomy (Leeds) > Molecular & Nanoscale Physics The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Physics and Astronomy (Leeds) > Soft Matter Physics (Leeds) |
Depositing User: | Symplectic Publications |
Date Deposited: | 07 Jan 2021 14:23 |
Last Modified: | 08 Jan 2025 12:46 |
Status: | Published |
Publisher: | American Chemical Society |
Identification Number: | 10.1021/acs.jpcb.0c07780 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:169498 |