Structural Polymorphism of Chitin and Chitosan in Fungal Cell Walls From Solid-State NMR and Principal Component Analysis

Fernando, Liyanage D.; Dickwella Widanage, Malitha C.; Penfield, Jackson; Lipton, Andrew S.; Washton, Nancy M.; Latgé, Jean-Paul; Wang, Ping; Zhang, Liqun; Wang, Tuo

doi:10.3389/fmolb.2021.727053

Title: Structural Polymorphism of Chitin and Chitosan in Fungal Cell Walls From Solid-State NMR and Principal Component Analysis

Journal Article · 25 August 2021 · Frontiers in Molecular Biosciences

DOI: https://doi.org/10.3389/fmolb.2021.727053 · OSTI ID:1827281

Fernando, Liyanage D. ^[1]; Dickwella Widanage, Malitha C. ^[1]; Penfield, Jackson ^[2];

^[3];

^[3]; Latgé, Jean-Paul ^[4]; Wang, Ping ^[5]; Zhang, Liqun ^[2]; Wang, Tuo ^[1]

Louisiana State Univ., Baton Rouge, LA (United States)
Tennessee Technological Univ., Cookeville, TN (United States)
Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Inst. Pasteur, Paris (France); Univ. of Crete, Heraklion (Greece)
Louisiana State Univ. Health Sciences Center, New Orleans, LA (United States)

Chitin is a major carbohydrate component of the fungal cell wall and a promising target for novel antifungal agents. However, it is technically challenging to characterize the structure of this polymer in native cell walls. Here, we recorded and compared ¹³C chemical shifts of chitin using isotopically enriched cells of six Aspergillus, Rhizopus, and Candida strains, with data interpretation assisted by principal component analysis (PCA) and linear discriminant analysis (LDA) methods. The structure of chitin is found to be intrinsically heterogeneous, with peak multiplicity detected in each sample and distinct fingerprints observed across fungal species. Fungal chitin exhibits partial similarity to the model structures of α- and γ-allomorphs; therefore, chitin structure is not significantly affected by interactions with other cell wall components. Addition of antifungal drugs and salts did not significantly perturb the chemical shifts, revealing the structural resistance of chitin to external stress. In addition, the structure of the deacetylated form, chitosan, was found to resemble a relaxed two-fold helix conformation. This study provides high-resolution information on the structure of chitin and chitosan in their cellular contexts. The method is applicable to the analysis of other complex carbohydrates and polymer composites.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1827281

Report Number(s):: PNNL-SA--163339

Journal Information:: Frontiers in Molecular Biosciences, Journal Name: Frontiers in Molecular Biosciences Vol. 8; ISSN 2296-889X

Publisher:: Frontiers Media S.A.Copyright Statement

Country of Publication:: United States

Language:: English

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59 BASIC BIOLOGICAL SCIENCES
Aspergillus
Candida
cell wall
chitin
chitosan
fungi
linear discriminant analysis
principal component analysis
solid-state NMR

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