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Elucidating the influence of polymorph-dependent interfacial solvent structuring at chitin surfaces

Version 2 2024-06-05, 06:45
Version 1 2016-08-30, 09:30
journal contribution
posted on 2024-06-05, 06:45 authored by AH Brown, Tiffany WalshTiffany Walsh
Interfacial solvent structuring is thought to be influential in mediating the adsorption of biomolecules at aqueous materials interfaces. However, despite the enormous potential for exploitation of aqueous chitin interfaces in industrial, medical and drug-delivery applications, little is known at the molecular-level about such interfacial solvent structuring for chitin. Here we use molecular simulation to predict the structure of the [100] and [010] interfaces of α-chitin and β-chitin dihydrate in contact with liquid water and saline solution. We find the α-chitin [100] interface supports lateral high-density regions in the first water layer at the interface, which are also present, but not as pronounced, for β-chitin. The lateral structuring of interfacial ions at the saline/chitin interface is also more pronounced for α-chitin compared with β-chitin. Our findings provide a foundation for the systematic design of biomolecules with selective binding affinity for different chitin polymorphs.

History

Journal

Carbohydrate polymers

Volume

151

Pagination

916-925

Location

Amsterdam, The Netherlands

ISSN

0144-8617

eISSN

1879-1344

Language

eng

Publication classification

C Journal article, C1 Refereed article in a scholarly journal

Copyright notice

2016, Elsevier

Publisher

Elsevier