β-1,3-Glucan synthesis, novel supramolecular self-assembly, characterization and application

Pylkkänen, Robert; Mohammadi, Pezhman; Liljeström, Ville; Płaziński, Wojciech; Beaune, Grégory; Timonen, Jaakko V. I.; Penttilä, Merja

doi:10.1039/d2nr02731c

Cited by 7 publications

(5 citation statements)

References 58 publications

(80 reference statements)

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“…The helix length (per 1 helix turn) predicted by CG simulation is equal to ca. 1.95 nm, which is in between the predictions of the GROMOS 56A6 CARBO_R united-atom force field, that is, 1.79 nm for a single helix in solution and the value of 2.02 nm for helices packed in parallel in the supramolecular sheet …”

Section: Properties Of the Studied Systemssupporting

confidence: 52%

Extending the Martini 3 Coarse-Grained Force Field to Carbohydrates

Lutsyk

Wolski

Płaziński

2022

J. Chem. Theory Comput.

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Carbohydrates play an essential role in a large number of chemical and biochemical processes. High structural diversity and conformational heterogeneity make it problematic to link their measurable properties to molecular features. Molecular dynamics simulations carried out at the level of classical force fields are routinely applied to study the complex processes occurring in carbohydrate-containing systems, while the usefulness of such simulations relies on the accuracy of the underlying theoretical model. In this article, we present the coarse-grained force field dedicated to glucopyranose-based carbohydrates and compatible with the recent version of the Martini force field (v. 3.0). The parameterization was based on optimizing bonded and nonbonded parameters with a reference to the all-atom simulation results and the experimental data. Application of the newly developed coarse-grained carbohydrate model to oligosaccharides curdlan and cellulose displays spontaneous formation of aggregates of experimentally identified features. In contact with other biomolecules, the model is capable of recovering the protective effect of glucose monosaccharides on a lipid bilayer and correctly identifying the binding pockets in carbohydrate-binding proteins. The features of the newly proposed model make it an excellent candidate for further extensions, aimed at modeling more complex, functionalized, and biologically relevant carbohydrates.

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Section: Properties Of the Studied Systemssupporting

confidence: 52%

Extending the Martini 3 Coarse-Grained Force Field to Carbohydrates

Lutsyk

Wolski

Płaziński

2022

J. Chem. Theory Comput.

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“…Recently, it was demonstrated that these hexagonal sheets grow spirally into stacked structures, resulting in highly ordered supramolecular crystalline complexes when β-1,3-glucan synthesis occurs at 50 °C. In contrast, these structures were nonordered when synthesized at temperatures of 37 °C and below, although this did not prevent triple-helix formation and crystallization . It appears that nucleation is more favorable than crystal growth at lower temperatures, resulting in a less ordered crystallization.…”

Section: Resultsmentioning

confidence: 89%

“…However, both βOGPs known from the literature are incapable of synthesizing large amounts of insoluble β-1,3-glucans above DP 20. Interestingly, At βOGP produces a product profile that is comparable to that of βGPs, with only small amounts of products <DP 20 while accumulating insoluble β-1,3-glucans between DP 25 and 35, and small amounts detectable up to DP 40. However, in contrast with βGPs from family GH161, At βOGP shows very high efficiency toward glucose as a priming substrate, in line with what one could expect of family GH149 enzymes (βOGPs).…”

Section: Resultsmentioning

confidence: 96%

“…Similarly, β-1,3-oligoglucan phosphorylase (βOGP; family GH149) can also use glucose as acceptor, but the chain-length specificity appears to be more relaxed, synthesizing soluble oligosaccharides up to a degree of polymerization (DP) of 12 . Finally, β-1,3-glucan phosphorylases (βGP; family GH161) are capable of producing even larger products (DP 34–70) but show no or very little activity on glucose as acceptor, requiring laminaribiose as priming substrate instead. − …”

Section: Introductionmentioning

confidence: 99%

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Converting Bulk Sugars into Functional Fibers: Discovery and Application of a Thermostable β-1,3-Oligoglucan Phosphorylase

De Doncker,

Vleminckx,

Franceus

et al. 2024

J. Agric. Food Chem.

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Despite their broad application potential, the widespread use of β-1,3-glucans has been hampered by the high cost and heterogeneity associated with current production methods. To address this challenge, scalable and economically viable processes are needed for the production of β-1,3-glucans with tailorable molecular mass distributions. Glycoside phosphorylases have shown to be promising catalysts for the bottom-up synthesis of β-1,3-(oligo)glucans since they combine strict regioselectivity with a cheap donor substrate (i.e., α-glucose 1-phosphate). However, the need for an expensive priming substrate (e.g., laminaribiose) and the tendency to produce shorter oligosaccharides still form major bottlenecks. Here, we report the discovery and application of a thermostable β-1,3-oligoglucan phosphorylase originating from Anaerolinea thermophila (AtβOGP). This enzyme combines a superior catalytic efficiency toward glucose as a priming substrate, high thermostability, and the ability to synthesize high molecular mass β-1,3-glucans up to DP 75. Coupling of AtβOGP with a thermostable variant of Bifidobacterium adolescentis sucrose phosphorylase enabled the efficient production of tailorable β-1,3-(oligo)glucans from sucrose, with a near-complete conversion of >99 mol %. This cost-efficient process for the conversion of renewable bulk sugar into β-1,3-(oligo)glucans should facilitate the widespread application of these versatile functional fibers across various industries.

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“…Furthermore, growing the material using simple ingredients is an alternative solution to overcome the cost, time, mass production, and sustainability of how we make and consume materials in the future. The work should also attract the attention of polysaccharide engineers working on rationally designed carbohydrate-based materials produced through the use of synthetic biology and biotechnological processes ( 53 ). Last, the result should be appealing to biomaterial scientists and researchers from the biomedical industry, for example, in developing the next generation of 3D scaffolds for tissue engineering and orthopedic implants ( 21 , 54 ).…”

Section: Discussionmentioning

confidence: 99%

The complex structure of Fomes fomentarius represents an architectural design for high-performance ultralightweight materials

et al. 2023

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High strength, hardness, and fracture toughness are mechanical properties that are not commonly associated with the fleshy body of a fungus. Here, we show with detailed structural, chemical, and mechanical characterization that Fomes fomentarius is an exception, and its architectural design is a source of inspiration for an emerging class of ultralightweight high-performance materials. Our findings reveal that F . fomentarius is a functionally graded material with three distinct layers that undergo multiscale hierarchical self-assembly. Mycelium is the primary component in all layers. However, in each layer, mycelium exhibits a very distinct microstructure with unique preferential orientation, aspect ratio, density, and branch length. We also show that an extracellular matrix acts as a reinforcing adhesive that differs in each layer in terms of quantity, polymeric content, and interconnectivity. These findings demonstrate how the synergistic interplay of the aforementioned features results in distinct mechanical properties for each layer.

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β-1,3-Glucan synthesis, novel supramolecular self-assembly, characterization and application

Abstract: A novel self-assembly mechanism for hexagonal β-1,3-glucan microparticles with defined lamellar nanostructure. Phosphorylase catalyzed enzymatic synthesis can be successfully carried out at temperatures ranging from 25 to 80 °C.

Cited by 7 publications

References 58 publications

Extending the Martini 3 Coarse-Grained Force Field to Carbohydrates

Extending the Martini 3 Coarse-Grained Force Field to Carbohydrates

Converting Bulk Sugars into Functional Fibers: Discovery and Application of a Thermostable β-1,3-Oligoglucan Phosphorylase

The complex structure of Fomes fomentarius represents an architectural design for high-performance ultralightweight materials

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