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

Brown, Aaron H. and Walsh, Tiffany R. 2016, Elucidating the influence of polymorph-dependent interfacial solvent structuring at chitin surfaces, Carbohydrate polymers, vol. 151, pp. 916-925, doi: 10.1016/j.carbpol.2016.05.116.

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Title Elucidating the influence of polymorph-dependent interfacial solvent structuring at chitin surfaces
Author(s) Brown, Aaron H.
Walsh, Tiffany R.ORCID iD for Walsh, Tiffany R. orcid.org/0000-0002-0233-9484
Journal name Carbohydrate polymers
Volume number 151
Start page 916
End page 925
Total pages 10
Publisher Elsevier
Place of publication Amsterdam, The Netherlands
Publication date 2016-10-20
ISSN 0144-8617
1879-1344
Keyword(s) chitin
molecular simulations
salt solutions
interfaces
Summary 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.
Language eng
DOI 10.1016/j.carbpol.2016.05.116
Field of Research 030603 Colloid and Surface Chemistry
030704 Statistical Mechanics in Chemistry
090301 Biomaterials
091209 Polymers and Plastics
0305 Organic Chemistry
0908 Food Sciences
0303 Macromolecular And Materials Chemistry
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1 Refereed article in a scholarly journal
ERA Research output type C Journal article
Copyright notice ©2016, Elsevier
Persistent URL http://hdl.handle.net/10536/DRO/DU:30085745

Document type: Journal Article
Collection: Institute for Frontier Materials
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