Quantitative Interpretation of Protein Diffusion Coefficients in Mixed Protiated-Deuteriated Aqueous Solvents


Diffusion-ordered nuclear magnetic resonance (NMR) spectroscopy is widely used for the analysis of mixtures, dispersing the signals of different species in a two-dimensional spectrum according to their diffusion coefficients. However, interpretation of these diffusion coefficients is typically purely qualitative, for example, to deduce which species are bigger or smaller. In studies of proteins in solution, important questions concern the molecular weight of the proteins, the presence or absence of aggregation, and the degree of folding. The Stokes–Einstein Gierer–Wirtz estimation (SEGWE) method has been previously developed to simplify the complex relationship between diffusion coefficient and molecular mass, allowing the prediction of a species’ diffusion coefficient in a pure solvent based on its molecular weight. Here, we show that SEGWE can be extended to successfully predict both peptide and protein diffusion coefficients in mixed protiated–deuteriated water samples and, hence, distinguish effectively between globular and disordered proteins.

Publication DOI: https://doi.org/10.1021/acs.jpcb.2c03554
Divisions: College of Engineering & Physical Sciences > Aston Institute of Materials Research (AIMR)
College of Engineering & Physical Sciences > School of Infrastructure and Sustainable Engineering > Chemical Engineering & Applied Chemistry
College of Engineering & Physical Sciences
College of Engineering & Physical Sciences > Energy and Bioproducts Research Institute (EBRI)
Additional Information: © 2022 The Authors. CC BY 4.0
Uncontrolled Keywords: Diffusion,Magnetic Resonance Spectroscopy/methods,Proteins,Solvents/chemistry,Water/chemistry
Publication ISSN: 1520-5207
Full Text Link:
Related URLs: https://pubs.ac ... cs.jpcb.2c03554 (Publisher URL)
http://www.scop ... tnerID=8YFLogxK (Scopus URL)
PURE Output Type: Article
Published Date: 2022-08-11
Published Online Date: 2022-08-02
Accepted Date: 2022-07-20
Authors: Tang, Bridget
Chong, Katie (ORCID Profile 0000-0002-3800-8302)
Massefski, Walter
Evans, Robert (ORCID Profile 0000-0003-1471-201X)



Version: Published Version

License: Creative Commons Attribution

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