Figure 3 (IMAGE)
Caption
Comparison between water-oxygen density maps and experimentally obtained vertical ∆f maps. (A–C) Vertical 2D-xz ∆f maps taken along the chitin chain direction. (D–F) Simulated vertical 2D water-oxygen density maps along the chain direction at different lateral positions on the (1-20) crystalline plane of the β-chitin NC. The red, blue, and green arrows indicate the identical hydration features between the simulation and experiment. (G–I) Water-oxygen density snapshots (40) with overlaid chitin molecular structures. (J–L) Hydrogen-bonding networks formed between water molecules and the underlying chitin substrate.
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© 2025 American Chemical Society
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