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The atomistic details of the ice recrystallisation inhibition activity of PVA
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Bachtiger, Fabienne, Congdon, Thomas R., Stubbs, Christopher D., Gibson, Matthew I. and Sosso, Gabriele C. (2021) The atomistic details of the ice recrystallisation inhibition activity of PVA. Nature Communications, 12 (1). 1323. doi:10.1038/s41467-021-21717-z ISSN 2041-1723.
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Official URL: http://dx.doi.org/10.1038/s41467-021-21717-z
Abstract
Understanding the ice recrystallisation inhibition (IRI) activity of antifreeze biomimetics is crucial to the development of the next generation of cryoprotectants. In this work, we bring together molecular dynamics simulations and quantitative experimental measurements to unravel the microscopic origins of the IRI activity of poly(vinyl)alcohol (PVA)—the most potent of biomimetic IRI agents. Contrary to the emerging consensus, we find that PVA does not require a “lattice matching” to ice in order to display IRI activity: instead, it is the effective volume of PVA and its contact area with the ice surface which dictates its IRI strength. We also find that entropic contributions may play a role in the ice-PVA interaction and we demonstrate that small block co-polymers (up to now thought to be IRI-inactive) might display significant IRI potential. This work clarifies the atomistic details of the IRI activity of PVA and provides novel guidelines for the rational design of cryoprotectants.
Item Type: | Journal Article | ||||||||||||||||||
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Subjects: | Q Science > QC Physics Q Science > QD Chemistry Q Science > QP Physiology T Technology > TP Chemical technology |
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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): | Crystallization, Ice crystals -- Growth, Antifreeze proteins, Biomimetics, Polyvinyl alcohol | ||||||||||||||||||
Journal or Publication Title: | Nature Communications | ||||||||||||||||||
Publisher: | Nature Publishing Group | ||||||||||||||||||
ISSN: | 2041-1723 | ||||||||||||||||||
Official Date: | 26 February 2021 | ||||||||||||||||||
Dates: |
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Volume: | 12 | ||||||||||||||||||
Number: | 1 | ||||||||||||||||||
Article Number: | 1323 | ||||||||||||||||||
DOI: | 10.1038/s41467-021-21717-z | ||||||||||||||||||
Status: | Peer Reviewed | ||||||||||||||||||
Publication Status: | Published | ||||||||||||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||||||||||||
Date of first compliant deposit: | 14 May 2021 | ||||||||||||||||||
Date of first compliant Open Access: | 14 May 2021 | ||||||||||||||||||
RIOXX Funder/Project Grant: |
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