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Ice recrystallization inhibition by amino acids : the curious case of alpha- and beta-alanine
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Warren, Matthew T., Galpin, Iain, Bachtiger, Fabienne, Gibson, Matthew I. and Sosso, Gabriele C. (2022) Ice recrystallization inhibition by amino acids : the curious case of alpha- and beta-alanine. Journal of Physical Chemistry Letters, 13 (9). pp. 2237-2244. doi:10.1021/acs.jpclett.1c04080 ISSN 1948-7185.
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WRAP-ice-recrystallization-inhibition-amino-acids-Sosso-2022.pdf - Accepted Version - Requires a PDF viewer. Download (4Mb) | Preview |
Official URL: https://doi.org/10.1021/acs.jpclett.1c04080
Abstract
Extremophiles produce macromolecules which inhibit ice recrystallization, but there is increasing interest in discovering and developing small molecules that can modulate ice growth. Realizing their potential requires an understanding of how these molecules function at the atomistic level. Here, we report the discovery that the amino acid l-α-alanine demonstrates ice recrystallization inhibition (IRI) activity, functioning at 100 mM (∼10 mg/mL). We combined experimental assays with molecular simulations to investigate this IRI agent, drawing comparison to β-alanine, an isomer of l-α-alanine which displays no IRI activity. We found that the difference in the IRI activity of these molecules does not originate from their ice binding affinity, but from their capacity to (not) become overgrown, dictated by the degree of structural (in)compatibility within the growing ice lattice. These findings shed new light on the microscopic mechanisms of small molecule cryoprotectants, particularly in terms of their molecular structure and overgrowth by ice.
Item Type: | Journal Article | ||||||||||||||||||
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Subjects: | Q Science > QC Physics Q Science > QD Chemistry |
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Divisions: | Faculty of Science, Engineering and Medicine > Science > Chemistry Faculty of Science, Engineering and Medicine > Science > Chemistry > Computational and Theoretical Chemistry Centre |
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Library of Congress Subject Headings (LCSH): | Recrystallization (Metallurgy), Ice , Amino acids -- Analysis, Alanine -- Synthesis -- Inhibitors | ||||||||||||||||||
Journal or Publication Title: | Journal of Physical Chemistry Letters | ||||||||||||||||||
Publisher: | American Chemical Society | ||||||||||||||||||
ISSN: | 1948-7185 | ||||||||||||||||||
Official Date: | 10 March 2022 | ||||||||||||||||||
Dates: |
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Volume: | 13 | ||||||||||||||||||
Number: | 9 | ||||||||||||||||||
Page Range: | pp. 2237-2244 | ||||||||||||||||||
DOI: | 10.1021/acs.jpclett.1c04080 | ||||||||||||||||||
Status: | Peer Reviewed | ||||||||||||||||||
Publication Status: | Published | ||||||||||||||||||
Reuse Statement (publisher, data, author rights): | This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal of Physical Chemistry Letters, copyright © 2022 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/full/10.1021/acs.jpclett.1c04080 | ||||||||||||||||||
Access rights to Published version: | Restricted or Subscription Access | ||||||||||||||||||
Date of first compliant deposit: | 15 March 2022 | ||||||||||||||||||
Date of first compliant Open Access: | 3 March 2023 | ||||||||||||||||||
RIOXX Funder/Project Grant: |
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