AI Article Synopsis
- The study focuses on how cellulose and lignin interact at the molecular and nanometer levels, which is crucial for improving biomass use.
- Researchers used atomic force microscopy with special tips coated in lignin to measure how these two materials adhere to each other in water.
- By analyzing over 7,000 force-curves with machine learning and conducting molecular simulations, the researchers uncovered new insights into the specific ways cellulose and lignin interact at the nanoscale.
Article Abstract
Elucidating cellulose-lignin interactions at the molecular and nanometric scales is an important research topic with impacts on several pathways of biomass valorization. Here, the interaction forces between a cellulosic substrate and lignin are investigated. Atomic force microscopy with lignin-coated tips is employed to probe the site-specific adhesion to a cellulose film in liquid water. Over seven thousand force-curves are analyzed by a machine-learning approach to cluster the experimental data into types of cellulose-tip interactions. The molecular mechanisms for distinct types of cellulose-lignin interactions are revealed by molecular dynamics simulations of lignin globules interacting with different cellulose Iβ crystal facets. This unique combination of experimental force-curves, data-driven analysis, and molecular simulations opens a new approach of investigation and updates the understanding of cellulose-lignin interactions at the nanoscale.
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| http://dx.doi.org/10.1039/d2nr05541d | DOI Listing |
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