Evaluation of the binding ability of a macrobicyclic receptor for anions by potentiometry and molecular dynamics simulations in solution

Tetrahedron

Volumn 66, Issue 45, 2010, Pages 8714-8721

  Carvalho, Sílvia ^a,b   Delgado, Rita ^a,c   Félix, Vítor ^b  

^a INSTITUTO DE TECNOLOGIA QUÍMICA E BIOLÓGICA   (Portugal)

^b UNIVERSITY OF AVEIRO   (Portugal)

^c INSTITUTO SUPERIOR TÉCNICO   (Portugal)

Author keywords

Anionic recognition; Binding constants; Cryptand; Molecular dynamics simulation; Supramolecular chemistry

Indexed keywords

ANION; AROMATIC COMPOUND; CARBOXYLIC ACID DERIVATIVE; HERBICIDE; ISOPHTHALIC ACID; PHENOL DERIVATIVE; PHTHALIC ACID; PICLORAM; POTASSIUM CHLORIDE; SOLVENT; TEREPHTHALIC ACID; TRICARBOXYLIC ACID; WATER;

ARTICLE; BINDING AFFINITY; ENCAPSULATION; ENERGY; HYDROGEN BOND; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR RECOGNITION; PH; POTENTIOMETRY; PRIORITY JOURNAL; SIMULATION; STATIC ELECTRICITY; SYNTHESIS;

EID: 77957978169     PISSN: 00404020     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.tet.2010.09.006     Document Type: Article

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