Structure of alginate gels: Interaction of diuronate units with divalent cations from density functional calculations

Biomacromolecules

Volumn 13, Issue 6, 2012, Pages 1899-1907

  Agulhon, Pierre ^a   Markova, Velina ^a   Robitzer, Mike ^a   Quignard, Françoise ^a   Mineva, Tzonka ^a  

^a UNIVERSITÉ DE MONTPELLIER   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ALGINATE GEL; ALKALINE EARTH CATIONS; BINDING STRENGTH; BOND DISTANCE; CATION INTERACTIONS; CHEMICAL INTERACTIONS; COORDINATION SHELLS; DENSITY FUNCTIONAL THEORIES (DFT); DISACCHARIDE UNITS; DIVALENT CATION; GOOD CORRELATIONS; INTERACTION ENERGIES; IONIC BONDS; IONIC COMPLEX; ORBITAL COMPOSITION; QUANTUM CHEMICAL; UNIDENTATE; WATER MOLECULE;

ALGINATE; ALKALINE EARTH METALS; BINDING ENERGY; COAGULATION; COBALT COMPOUNDS; COORDINATION REACTIONS; DENSITY FUNCTIONAL THEORY; GELATION; MANGANESE; MANGANESE COMPOUNDS; MOLECULAR ORBITALS; MOLECULES; POSITIVE IONS; TRANSITION METALS;

COMPLEXATION;

ALGINIC ACID; CALCIUM; CATION; COBALT; COPPER; DISACCHARIDE; MAGNESIUM; STRONTIUM; WATER; ZINC;

ARTICLE; BINDING AFFINITY; CHELATION; CHEMICAL BOND; CHEMICAL INTERACTION; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; PRIORITY JOURNAL;

ALGINATES; CARBOHYDRATE CONFORMATION; CATIONS; GELS; GLUCURONIC ACID; HEXURONIC ACIDS; MOLECULAR SEQUENCE DATA; MOLECULAR STRUCTURE; QUANTUM THEORY; URONIC ACIDS;

EID: 84862143778     PISSN: 15257797     EISSN: 15264602     Source Type: Journal    
DOI: 10.1021/bm300420z     Document Type: Article

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