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

Markgren, Joel and Rasheed, Faiza and Hedenqvist, Mikael S. and Skepo, Marie and Johansson, Eva (2022). Clustering and cross-linking of the wheat storage protein ?-gliadin: A combined experimental and theoretical approach. International Journal of Biological Macromolecules. 211 , 592-615
[Research article]

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Abstract

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 alpha-gliadins, and synthetic gliadin peptides, and by coarse-grained modelling, Monte Carlo simulations and prediction algorithms. In solution, gliadins with alpha-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 13-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.

Authors/Creators:Markgren, Joel and Rasheed, Faiza and Hedenqvist, Mikael S. and Skepo, Marie and Johansson, Eva
Title:Clustering and cross-linking of the wheat storage protein ?-gliadin: A combined experimental and theoretical approach
Series Name/Journal:International Journal of Biological Macromolecules
Year of publishing :2022
Volume:211
Page range:592-615
Number of Pages:24
Publisher:ELSEVIER
ISSN:0141-8130
Language:English
Publication Type:Research article
Article category:Scientific peer reviewed
Version:Published version
Copyright:Creative Commons: Attribution 4.0
Full Text Status:Public
Subjects:(A) Swedish standard research categories 2011 > 1 Natural sciences > 104 Chemical Sciences > Polymer Chemistry
(A) Swedish standard research categories 2011 > 1 Natural sciences > 106 Biological Sciences (Medical to be 3 and Agricultural to be 4) > Biochemistry and Molecular Biology
Keywords:Disulphide bonds, Monte Carlo simulations, Polymers, Synthetic peptides
URN:NBN:urn:nbn:se:slu:epsilon-p-118276
Permanent URL:
http://urn.kb.se/resolve?urn=urn:nbn:se:slu:epsilon-p-118276
Additional ID:
Type of IDID
DOI10.1016/j.ijbiomac.2022.05.032
Web of Science (WoS)000806363000007
ID Code:28674
Faculty:LTV - Fakulteten för landskapsarkitektur, trädgårds- och växtproduktionsvetenskap
Department:(LTJ, LTV) > Department of Plant Breeding (from 130101)
Deposited By: SLUpub Connector
Deposited On:30 Aug 2022 14:21
Metadata Last Modified:30 Aug 2022 14:31

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