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- W2730552265 endingPage "947" @default.
- W2730552265 startingPage "941" @default.
- W2730552265 abstract "Acetyl groups are backbone outreaches that enhance inter-fibril connection in chitin and chitosan fibril bundle. Removal of acetyl groups affects flexibility of chitosan fibril bundle, thereby affecting mechanical strength of chitosan-based products. Understandings of relationship between degree of acetylation and flexibility of chitin fibril bundle conduce to optimization of synthetic chitin materials. Here, the relationship is examined by performing molecular dynamics simulations. Coiling of chitin and chitosan fibril bundle with different degree of acetylation is observed and flexibility of fibrils is measured. Number and alignment of acetyl groups are found to be important factors determining the flexibility of chitin and chitosan fibril bundle. Structural instability can be caused by incompatible alignment of acetyl groups. Our findings on synthetic chitin-based materials indicate that adding a small amount of acetyl groups to chitosan can significantly enhance the integrity of fibril bundle." @default.
- W2730552265 created "2017-07-14" @default.
- W2730552265 creator A5080749766 @default.
- W2730552265 creator A5083125839 @default.
- W2730552265 date "2017-10-01" @default.
- W2730552265 modified "2023-09-23" @default.
- W2730552265 title "Flexibility of backbone fibrils in α-chitin crystals with different degree of acetylation" @default.
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- W2730552265 doi "https://doi.org/10.1016/j.carbpol.2017.06.099" @default.
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