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. Attached Files Name Description MIMEType Size Downloads Title Elucidating the influence of polymorph-dependent interfacial solvent structuring at chitin surfaces Author(s) Brown, Aaron H. 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 Collections: Institute for Frontier Materials GTP Research Related Links Link Description Connect to published version Go to link with your DU access privileges     Unless expressly stated otherwise, the copyright for items in DRO is owned by the author, with all rights reserved. Versions Version Filter Type Tue, 30 Aug 2016, 09:30:26 EST Wed, 31 Aug 2016, 05:00:36 EST Wed, 31 Aug 2016, 06:14:28 EST Tue, 18 Oct 2016, 08:58:46 EST Tue, 18 Oct 2016, 09:01:59 EST Tue, 18 Oct 2016, 09:03:12 EST Filtered Full Citation counts:   Cited 2 times in TR Web of Science Cited 3 times in Scopus Search Google Scholar Access Statistics: 225 Abstract Views, 2 File Downloads  -  Detailed Statistics Created: Tue, 30 Aug 2016, 09:30:26 EST

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