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Photo Marie Skepö

Marie Skepö

Professor

Photo Marie Skepö

Clustering and cross-linking of the wheat storage protein α-gliadin : A combined experimental and theoretical approach

Author

  • Joel Markgren
  • Faiza Rasheed
  • Mikael S. Hedenqvist
  • Marie Skepö
  • Eva Johansson

Summary, in English

Our aim was to understand mechanisms for clustering and cross-linking of gliadins, a wheat seed storage protein type, monomeric in native state, but incorporated in network while processed. The mechanisms were studied utilizing spectroscopy and high-performance liquid chromatography on a gliadin-rich fraction, in vitro produced α-gliadins, and synthetic gliadin peptides, and by coarse-grained modelling, Monte Carlo simulations and prediction algorithms. In solution, gliadins with α-helix structures (dip at 205 nm in CD) were primarily present as monomeric molecules and clusters of gliadins (peaks at 650- and 700-s on SE-HPLC). At drying, large polymers (Rg 90.3 nm by DLS) were formed and β-sheets increased (14% by FTIR). Trained algorithms predicted aggregation areas at amino acids 115–140, 150–179, and 250–268, and induction of liquid-liquid phase separation at P- and Poly-Q-sequences (Score = 1). Simulations showed that gliadins formed polymers by tail-to-tail or a hydrophobic core (Kratky plots and Ree = 35 and 60 for C- and N-terminal). Thus, the N-terminal formed clusters while the C-terminal formed aggregates by disulphide and lanthionine bonds, with favoured hydrophobic clustering of similar/exact peptide sections (synthetic peptide mixtures on SE-HPLC). Mechanisms of clustering and cross-linking of the gliadins presented here, contribute ability to tailor processing results, using these proteins.

Department/s

  • LTH Profile Area: Nanoscience and Semiconductor Technology
  • LINXS - Institute of advanced Neutron and X-ray Science
  • Computational Chemistry
  • eSSENCE: The e-Science Collaboration

Publishing year

2022

Language

English

Pages

592-615

Publication/Series

International Journal of Biological Macromolecules

Volume

211

Document type

Journal article

Publisher

Elsevier

Topic

  • Chemical Sciences

Keywords

  • Disulphide bonds
  • Monte Carlo simulations
  • Polymers
  • Synthetic peptides

Status

Published

ISBN/ISSN/Other

  • ISSN: 0141-8130