Molecular Origins of Emulsification by Polysaccharide Nanofibers: Effects of Crystal Surfaces and Chemical Structure.
- 1Department of Biomaterial Sciences, Graduate School of Agricultural and Life Sciences, The University of Tokyo, Tokyo113-8657, Japan.
- 2Department of Fibre and Polymer Technology, Wallenberg Wood Science Center, KTH Royal Institute of Technology, Teknikringen 56, 100 44Stockholm, Sweden.
Abstract
Cellulose nanofibers (CNFs) and chitin nanofibers (ChNFs) are biocompatible and biodegradable Pickering emulsifiers with excellent emulsifying capacity. However, the molecular origins of their emulsifying capacity remain unclear. Here, we combined emulsification experiments with molecular dynamics (MD) simulations to elucidate how the surface chemical structure governs the emulsifying capacity. Emulsification experiments showed that ChNFs consistently outperform CNFs across all oils tested. MD simulations revealed that partial conversion of hydroxymethyl groups to carboxylate groups through the TEMPO-oxidation significantly increased the hydrophilicity of the cellulose surfaces and decreased the three-phase contact angle formed among the water, oil, and cellulose surface, reducing the emulsifying capacity. In contrast, the conversion of acetamide groups to protonated amino groups through deacetylation of chitin increased hydrophilicity without causing complete wetting, maintaining the three-phase contact angle and emulsifying capacity. These results guide the rational design of polysaccharide-stabilized Pickering emulsions and deepen the fundamental understanding of cellulose and chitin surfaces.
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BibTeX
@article{tomita2026molecular,
title = {{Molecular Origins of Emulsification by Polysaccharide Nanofibers: Effects of Crystal Surfaces and Chemical Structure.}},
author = {Yuka Tomita and Tsuguyuki Saito and Jakob Wohlert and Shuji Fujisawa},
journal = {Nano letters},
year = {2026},
month = oct,
doi = {10.1021/acs.nanolett.6c02570},
url = {https://europepmc.org/article/MED/42917390},
note = {CC BY-NC-ND},
}
RIS
TY - JOUR
TI - Molecular Origins of Emulsification by Polysaccharide Nanofibers: Effects of Crystal Surfaces and Chemical Structure.
AU - Yuka Tomita
AU - Tsuguyuki Saito
AU - Jakob Wohlert
AU - Shuji Fujisawa
PY - 2026
DA - 2026/10/01
JO - Nano letters
DO - 10.1021/acs.nanolett.6c02570
UR - https://europepmc.org/article/MED/42917390
AB - Cellulose nanofibers (CNFs) and chitin nanofibers (ChNFs) are biocompatible and biodegradable Pickering emulsifiers with excellent emulsifying capacity. However, the molecular origins of their emulsifying capacity remain unclear. Here, we combined emulsification experiments with molecular dynamics (MD) simulations to elucidate how the surface chemical structure governs the emulsifying capacity. Emulsification experiments showed that ChNFs consistently outperform CNFs across all oils tested. MD simulations revealed that partial conversion of hydroxymethyl groups to carboxylate groups through the TEMPO-oxidation significantly increased the hydrophilicity of the cellulose surfaces and decreased the three-phase contact angle formed among the water, oil, and cellulose surface, reducing the emulsifying capacity. In contrast, the conversion of acetamide groups to protonated amino groups through deacetylation of chitin increased hydrophilicity without causing complete wetting, maintaining the three-phase contact angle and emulsifying capacity. These results guide the rational design of polysaccharide-stabilized Pickering emulsions and deepen the fundamental understanding of cellulose and chitin surfaces.
SN - 1530-6984
SN - 1530-6992
ER -