Ever since the discovery of the hydrogen bond in the early 20<sup>th</sup> century it has played a central role for our understanding of the structure and properties of biological materials. Cellulose and hemicelluloses are no exceptions. Owing to the large number of polar groups in these polymers, hydrogen bonding has been hypothesized to contribute to a wide range of properties, including molecular structure, mechanical stiffness and strength, adsorption, aggregation, and water uptake. Such assumptions are seemingly supported the observation that hydrogen bonds in cellulosic systems are indeed ubiquitous, as demonstrated by both experimental and computational methods. However, when it comes to their actual effect evidence is less distinct, and quantitative data of their relative contribution compared to other factors are scarce. In this context, molecular simulation has an advantage over experiments as they offer atomistic resolution combined with possibilities to manipulate single bonds.<br/><br/>Here, we show that the role hydrogen bonds play has a tendency to be exaggerated. Based on results primarily from molecular dynamics simulations from both our own research and other groups, the emerging picture is that hydrogen bonding should be viewed as just one interaction among others. Sometimes it is less important, sometimes more, but never is it the only thing that matters. Simple as it is, this conclusion is important since a too one-sided view on fundamental interactions in cellulose-based materials (biological as well as synthetic) may limit future development in this field.

Hydrogen bonding in cellulose

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