Revealing the Compact Structure of Lactic Acid Bacterial Heteroexopolysaccharides by SAXS and DLS
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Revealing the Compact Structure of Lactic Acid Bacterial Heteroexopolysaccharides by SAXS and DLS. / Khan, Sanaullah; Birch, Johnny; Harris, Pernille; Van Calsteren, Marie Rose; Ipsen, Richard; Peters, Günther H J; Svensson, Birte; Almdal, Kristoffer.
In: Biomacromolecules, Vol. 18, No. 3, 2017, p. 747-756.Research output: Contribution to journal › Journal article › Research › peer-review
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TY - JOUR
T1 - Revealing the Compact Structure of Lactic Acid Bacterial Heteroexopolysaccharides by SAXS and DLS
AU - Khan, Sanaullah
AU - Birch, Johnny
AU - Harris, Pernille
AU - Van Calsteren, Marie Rose
AU - Ipsen, Richard
AU - Peters, Günther H J
AU - Svensson, Birte
AU - Almdal, Kristoffer
PY - 2017
Y1 - 2017
N2 - Molecular structures of exopolysaccharides are required to understand their functions and the relationships between the structure and physical and rheological properties. Small-angle X-ray scattering and dynamic light scattering were used in conjunction with molecular modeling to characterize solution structures of three lactic acid bacterial heteroexopolysaccharides (HePS-1, HePS-2, and HePS-3). Values of radius of gyration RG, cross-sectional radius of gyration RXS, approximate length L, and hydrodynamic diameter were not directly proportional to the molar mass and indicated the HePSs adopted a compact coil-like rather than an extended conformation. Constrained molecular modeling of 15000 randomized HePS-1 conformers resulted in five best-fit structures with R factor of 3.9-4.6% revealing random coil-like structure. φ and ψ angle analysis of glycosidic linkages in HePS-1 structures suggests Galf residues significantly influence the conformation. Ab initio scattering modeling of HePS-2 and HePS-3 gave excellent curve fittings with χ2 of 0.43 and 0.34 for best-fit models, respectively, compatible with coil-like conformation. The findings disclose solution behavior of HePS relevant for their interactions with biomacromolecules, for example, milk proteins.
AB - Molecular structures of exopolysaccharides are required to understand their functions and the relationships between the structure and physical and rheological properties. Small-angle X-ray scattering and dynamic light scattering were used in conjunction with molecular modeling to characterize solution structures of three lactic acid bacterial heteroexopolysaccharides (HePS-1, HePS-2, and HePS-3). Values of radius of gyration RG, cross-sectional radius of gyration RXS, approximate length L, and hydrodynamic diameter were not directly proportional to the molar mass and indicated the HePSs adopted a compact coil-like rather than an extended conformation. Constrained molecular modeling of 15000 randomized HePS-1 conformers resulted in five best-fit structures with R factor of 3.9-4.6% revealing random coil-like structure. φ and ψ angle analysis of glycosidic linkages in HePS-1 structures suggests Galf residues significantly influence the conformation. Ab initio scattering modeling of HePS-2 and HePS-3 gave excellent curve fittings with χ2 of 0.43 and 0.34 for best-fit models, respectively, compatible with coil-like conformation. The findings disclose solution behavior of HePS relevant for their interactions with biomacromolecules, for example, milk proteins.
U2 - 10.1021/acs.biomac.6b01597
DO - 10.1021/acs.biomac.6b01597
M3 - Journal article
C2 - 28042938
AN - SCOPUS:85015158330
VL - 18
SP - 747
EP - 756
JO - Biomacromolecules
JF - Biomacromolecules
SN - 1525-7797
IS - 3
ER -
ID: 176654369