Viscoelastic properties of wheat gluten in a molecular dynamics study.
Wheat (Triticum spp.) gluten consists mainly of intrinsincally disordered storage proteins (glutenins and gliadins) that can form megadalton-sized networks. These networks are responsible for the unique viscoelastic properties of wheat dough and affect the quality of bread. These properties have not...
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Public Library of Science (PLoS)
2021-03-01
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| Series: | PLoS Computational Biology |
| Online Access: | https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1008840&type=printable |
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| author | Łukasz Mioduszewski Marek Cieplak |
| author_facet | Łukasz Mioduszewski Marek Cieplak |
| author_sort | Łukasz Mioduszewski |
| collection | DOAJ |
| description | Wheat (Triticum spp.) gluten consists mainly of intrinsincally disordered storage proteins (glutenins and gliadins) that can form megadalton-sized networks. These networks are responsible for the unique viscoelastic properties of wheat dough and affect the quality of bread. These properties have not yet been studied by molecular level simulations. Here, we use a newly developed α-C-based coarse-grained model to study ∼ 4000-residue systems. The corresponding time-dependent properties are studied through shear and axial deformations. We measure the response force to the deformation, the number of entanglements and cavities, the mobility of residues, the number of the inter-chain bonds, etc. Glutenins are shown to influence the mechanics of gluten much more than gliadins. Our simulations are consistent with the existing ideas about gluten elasticity and emphasize the role of entanglements and hydrogen bonding. We also demonstrate that the storage proteins in maize and rice lead to weaker elasticity which points to the unique properties of wheat gluten. |
| format | Article |
| id | doaj-art-00bcb4f536ae4e5e877a194c0991fe09 |
| institution | OA Journals |
| issn | 1553-734X 1553-7358 |
| language | English |
| publishDate | 2021-03-01 |
| publisher | Public Library of Science (PLoS) |
| record_format | Article |
| series | PLoS Computational Biology |
| spelling | doaj-art-00bcb4f536ae4e5e877a194c0991fe092025-08-20T02:18:00ZengPublic Library of Science (PLoS)PLoS Computational Biology1553-734X1553-73582021-03-01173e100884010.1371/journal.pcbi.1008840Viscoelastic properties of wheat gluten in a molecular dynamics study.Łukasz MioduszewskiMarek CieplakWheat (Triticum spp.) gluten consists mainly of intrinsincally disordered storage proteins (glutenins and gliadins) that can form megadalton-sized networks. These networks are responsible for the unique viscoelastic properties of wheat dough and affect the quality of bread. These properties have not yet been studied by molecular level simulations. Here, we use a newly developed α-C-based coarse-grained model to study ∼ 4000-residue systems. The corresponding time-dependent properties are studied through shear and axial deformations. We measure the response force to the deformation, the number of entanglements and cavities, the mobility of residues, the number of the inter-chain bonds, etc. Glutenins are shown to influence the mechanics of gluten much more than gliadins. Our simulations are consistent with the existing ideas about gluten elasticity and emphasize the role of entanglements and hydrogen bonding. We also demonstrate that the storage proteins in maize and rice lead to weaker elasticity which points to the unique properties of wheat gluten.https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1008840&type=printable |
| spellingShingle | Łukasz Mioduszewski Marek Cieplak Viscoelastic properties of wheat gluten in a molecular dynamics study. PLoS Computational Biology |
| title | Viscoelastic properties of wheat gluten in a molecular dynamics study. |
| title_full | Viscoelastic properties of wheat gluten in a molecular dynamics study. |
| title_fullStr | Viscoelastic properties of wheat gluten in a molecular dynamics study. |
| title_full_unstemmed | Viscoelastic properties of wheat gluten in a molecular dynamics study. |
| title_short | Viscoelastic properties of wheat gluten in a molecular dynamics study. |
| title_sort | viscoelastic properties of wheat gluten in a molecular dynamics study |
| url | https://journals.plos.org/ploscompbiol/article/file?id=10.1371/journal.pcbi.1008840&type=printable |
| work_keys_str_mv | AT łukaszmioduszewski viscoelasticpropertiesofwheatgluteninamoleculardynamicsstudy AT marekcieplak viscoelasticpropertiesofwheatgluteninamoleculardynamicsstudy |