Cellulose and the role of hydrogen bonds: not in charge of everything

Bergenstråhle-Wohlert, Malin; Benselfelt, Tobias; Wågberg, Lars; Furó, István; Berglund, Lars A.; Wohlert, Jakob

doi:10.1007/s10570-021-04325-4

Cited by 273 publications

(169 citation statements)

References 167 publications

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“…Cellulose is synthesized in diverse fibrillar forms across the wide range of cellulose-synthesizing organisms, including bacteria, algae, tunicates, and plants ( Tsekos, 1999 ; Wohlert et al, 2021 ). In land plants CMFs are synthesized by large cellulose synthase complexes (CSCs) embedded in the plasma membrane (reviewed by Allen et al, 2021 ).…”

Section: Update On Cell Wall Componentsmentioning

confidence: 99%

“…CMFs in plants are long (rough estimates of 1–10 μm are common) and thin (∼3 nm) and comprised many parallel glucan chains tightly packed into crystalline order ( Nishiyama, 2009 ). Extensive hydrogen bonds between the chains stabilize the structure, but a larger contribution may come from London dispersion forces between the parallel chains ( Nishiyama, 2018 ; Wohlert et al, 2021 ). Thus the remarkable stability and physical properties of the CMF arise from noncovalent interactions between glucan chains.…”

Section: Update On Cell Wall Componentsmentioning

confidence: 99%

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Building an extensible cell wall

Cosgrove

2022

Plant Physiology

140

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This article recounts, from my perspective of four decades in this field, evolving paradigms of primary cell wall structure and the mechanism of surface enlargement of growing cell walls. Updates of the structures, physical interactions, and roles of cellulose, xyloglucan, and pectins are presented. This leads to an example of how a conceptual depiction of wall structure can be translated into an explicit quantitative model based on molecular dynamics methods. Comparison of the model’s mechanical behavior with experimental results provides insights into the molecular basis of complex mechanical behaviors of primary cell wall and uncovers the dominant role of cellulose–cellulose interactions in forming a strong yet extensible network.

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Section: Update On Cell Wall Componentsmentioning

confidence: 99%

Section: Update On Cell Wall Componentsmentioning

confidence: 99%

Building an extensible cell wall

Cosgrove

2022

Plant Physiology

140

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“…Often, such electrostatic effects are conceptualized as hydrogen bonds. 7 Indeed, by using the standard criteria of hydrogen bonds (cutoff of donor–acceptor distance less than 0.35 nm and HD···A bond angle less than 30°) we find an additional 188 hydrogen bonds with internal microfibril–microfibril interfaces hydrated ( Table 2 ). In our model and in this context, the cellulose microfibrils within the fibril aggregates are antiparallel, and this structural mismatch will limit the extent of cellulose–cellulose hydrogen bonds at the microfibril–microfibril interface.…”

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confidence: 92%

“… 1 − 6 In the plant cell wall, the microfibrils often form larger aggregated structures: fibril aggregates (FA, also called microfibrillar bundles). 1 , 3 , 5 , 7 The aggregate structure is certainly present not only in primary and secondary 8 cell walls but also in man-made, chemically processed wood fibers. 9 These aggregates become tightly bound after drying and resist both swelling and high levels of mechanical shear, and their formation is possibly predetermined by geometrical constraints directly upon biosynthesis.…”

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confidence: 99%

Water as an Intrinsic Structural Element in Cellulose Fibril Aggregates

Chen

Wohlert²,

Berglund³

2022

J. Phys. Chem. Lett.

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While strong water association with cellulose in plant cell walls and man-made materials is well-established, its molecular scale aspects are not fully understood. The thermodynamic consequences of having water molecules located at the microfibril–microfibril interfaces in cellulose fibril aggregates are therefore analyzed by molecular dynamics simulations. We find that a thin layer of water molecules at those interfaces can be in a state of thermal equilibrium with water surrounding the fibril aggregates because such an arrangement lowers the free energy of the total system. The main reason is enthalpic: water at the microfibril–microfibril interfaces enables the cellulose surface hydroxyls to experience a more favorable electrostatic environment. This enthalpic gain overcomes the entropic penalty from strong immobilization of water molecules. Hence, those particular water molecules stabilize the cellulose fibril aggregates, akin to the role of water in some proteins. Structural and functional hypotheses related to this finding are presented.

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“…Despite the common use of cellulose-based materials, such as paper, packaging products, hygiene materials, and high value-added nonwoven materials, it is surprisingly still not known which forces are holding cellulose materials together. Vague arguments about the dominating influence of hydrogen bonding have been filling the literature, and a recent review 31 has summarized the current knowledge about the importance of different types of molecular interactions. The lack of well-defined cellulose model materials has been, and still is, an important factor behind the lack of clear model experiments where the influence of different interactions can be clarified.…”

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confidence: 99%

Understanding the Drying Behavior of Regenerated Cellulose Gel Beads: The Effects of Concentration and Nonsolvents

Kruteva

Dulle

et al. 2022

ACS Nano

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The drying behavior of regenerated cellulose gel beads swollen with different nonsolvents ( e.g ., water, ethanol, water/ethanol mixtures) is studied in situ on the macroscopic scale with an optical microscope as well as on nanoscale using small-angle/wide-angle X-ray scattering (SAXS/WAXS) techniques. Depending on the cellulose concentration, the structural evolution of beads during drying follows one of three distinct regimes. First, when the cellulose concentration is lower than 0.5 wt %, the drying process comprises three steps and, regardless of the water/ethanol mixture composition, a sharp structural transition corresponding to the formation of a cellulose II crystalline structure is observed. Second, when the cellulose concentration is higher than 5.0 wt %, a two-step drying process is observed and no structural transition occurs for any of the beads studied. Third, when the cellulose concentration is between 0.5 and 5.0 wt %, the drying process is dependent on the nonsolvent composition. A three-step drying process takes place for beads swollen with water/ethanol mixtures with a water content higher than 20%, while a two-step drying process is observed when the water content is lower than 20%. To describe the drying behavior governed by the cellulose concentration and nonsolvent composition, a simplified phase diagram is proposed.

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Cellulose and the role of hydrogen bonds: not in charge of everything

Cited by 273 publications

References 167 publications

Building an extensible cell wall

Building an extensible cell wall

Water as an Intrinsic Structural Element in Cellulose Fibril Aggregates

Understanding the Drying Behavior of Regenerated Cellulose Gel Beads: The Effects of Concentration and Nonsolvents

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