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RESEARCH PRODUCT
Spectrophotometric determinations of binding constants between cyclodextrins and aromatic nitrogen substrates at various pH values
Paolo Lo MeoSerena RielaRenato NotoFrancesca D'annaMichelangelo Gruttadauriasubject
chemistry.chemical_classificationMolecular interactionsChemistryHydrogen bondOrganic Chemistrychemistry.chemical_elementSettore CHIM/06 - Chimica OrganicaBiochemistryNitrogenMolecular mechanicscyclodextrins inclusion molecular mechanicssymbols.namesakeComputational chemistryGroup (periodic table)Drug DiscoveryNitrosymbolsOrganic chemistryNon-covalent interactionsvan der Waals forcedescription
The inclusion capacity of native β-cyclodextrin (1) and mono-(6-amino-6-deoxy)-β-cyclodextrin (2) versus aromatic compounds having a nitro or an amino group or both has been investigated at three different pH values. Molecular interactions in inclusion complexes have also been investigated by means of molecular mechanics (MM2/QD) models. Electrostatic and van der Waals interactions and the formation of a hydrogen bond between the donor amino group and the oxygen atom of the secondary hydroxyl group seem to be the more important contributions in determining complex stability. The inclusion capacity of two different cyclodextrins versus aromatic compounds has been investigated at three different pH values. Molecular interactions in inclusion complexes have also been investigated by molecular mechanics models.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2001-07-01 | Tetrahedron |