Evidence for an egg-box-like structure in iron(<scp>ii</scp>)–polygalacturonate hydrogels: a combined EXAFS and molecular dynamics simulation study
Aline Maire du Poset, Andrea Zitolo, Fabrice Cousin, Ali Assifaoui, Adrien Lerbret
Abstract
is monodentately coordinated to two carboxylate and two hydroxyl oxygens from a pair of polyGalA chains as well as to two water oxygens in an octahedral coordination geometry compatible with the "egg-box model".
Topics & Concepts
Molecular dynamicsExtended X-ray absorption fine structureChemistryDynamics (music)Self-healing hydrogelsCrystallographyChemical engineeringMaterials sciencePhysicsPolymer chemistryComputational chemistryAbsorption spectroscopyEngineeringOpticsAcousticsFood composition and propertiesMicrobial Metabolites in Food BiotechnologyProteins in Food Systems