7 Citations (Scopus)

Abstract

The interplay of degree of methylesterification (DM), pH, temperature, and concentration on the macromolecular interactions of pectin in solution has been explored. Small-angle X-ray scattering complemented by atomic force microscopy and molecular dynamics was employed to probe chain dimensions and solution structure. Two length scales have been observed with the first level of structure characterising chain clusters with sizes ranging between 100-200 nm. The second level of structure arises from single biopolymer chains with a radius of gyration between ∼6 and 42 nm. The development of a range of macromolecular dimensions in vitro and in silico shows that the chain flexibility increases with DM and at acidic pH, whereas hydrogen bonding is the responsible thermodynamic driving force for cluster formation. High methyl pectins create structures of lower fractal dimension with less efficient packing. This work unveils pectin conformations covering most of its industrially and biologically relevant environments, enabling rational design of advanced biomaterials based on pectin.

LanguageEnglish
Pages7286-7294
Number of pages9
JournalJournal of Physical Chemistry B
Volume122
Issue number29
Early online date2 Jul 2018
DOIs
Publication statusPublished - 26 Jul 2018

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Conformations
Biopolymers
Fractal dimension
X ray scattering
Biomaterials
Pectins
Molecular dynamics
Atomic force microscopy
Hydrogen bonds
Biocompatible Materials
Thermodynamics
biopolymers
gyration
fractals
flexibility
coverings
atomic force microscopy
molecular dynamics
Temperature
thermodynamics

Cite this

Alba, Jekaterina ; Bingham, Richard ; Gunning, Patrick ; Wilde, Peter ; Kontogiorgos, Vasileios. / Pectin Conformation in Solution. In: Journal of Physical Chemistry B. 2018 ; Vol. 122, No. 29. pp. 7286-7294.
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Pectin Conformation in Solution. / Alba, Jekaterina; Bingham, Richard; Gunning, Patrick; Wilde, Peter; Kontogiorgos, Vasileios.

In: Journal of Physical Chemistry B, Vol. 122, No. 29, 26.07.2018, p. 7286-7294.

Research output: Contribution to journalArticle

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T1 - Pectin Conformation in Solution

AU - Alba, Jekaterina

AU - Bingham, Richard

AU - Gunning, Patrick

AU - Wilde, Peter

AU - Kontogiorgos, Vasileios

PY - 2018/7/26

Y1 - 2018/7/26

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AB - The interplay of degree of methylesterification (DM), pH, temperature, and concentration on the macromolecular interactions of pectin in solution has been explored. Small-angle X-ray scattering complemented by atomic force microscopy and molecular dynamics was employed to probe chain dimensions and solution structure. Two length scales have been observed with the first level of structure characterising chain clusters with sizes ranging between 100-200 nm. The second level of structure arises from single biopolymer chains with a radius of gyration between ∼6 and 42 nm. The development of a range of macromolecular dimensions in vitro and in silico shows that the chain flexibility increases with DM and at acidic pH, whereas hydrogen bonding is the responsible thermodynamic driving force for cluster formation. High methyl pectins create structures of lower fractal dimension with less efficient packing. This work unveils pectin conformations covering most of its industrially and biologically relevant environments, enabling rational design of advanced biomaterials based on pectin.

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