Search results for "anion receptors"

showing 3 items of 3 documents

Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution

2017

A novel eight-membered macrocycle of the hemicucurbit[n]uril family, chiral (all-R)-cyclohexanohemicucurbit[8]uril (cycHC[8]) binds anions in a purely protic solvent with remarkable selectivity. The cycHC[8] portals open and close to fully encapsulate anions in a 1 : 1 ratio, resembling a molecular Pac-Man™. Comprehensive gas, solution and solid phase studies prove that the binding is governed by the size, shape and charge distribution of the bound anion. Gas phase studies show an order of SbF6− ≈ PF6− > ReO4− > ClO4− > SCN− > BF4− > HSO4− > CF3SO3− for anion complexation strength. An extensive crystallographic study reveals the preferred orientations of the anions within the octahedral cav…

macrocyclesanion receptorsvalikoivuushemicucurbituril
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Chiral hemicucurbit[8]uril as an anion receptor: selectivity to size, shape and charge distribution

2017

A novel eight-membered macrocycle of the hemicucurbit[n]uril family, chiral (all-R)-cyclohexanohemicucurbit[8]uril (cycHC[8]) binds anions in a purely protic solvent with remarkable selectivity. The cycHC[8] portals open and close to fully encapsulate anions in a 1 : 1 ratio, resembling a molecular Pac-Man™. Comprehensive gas, solution and solid phase studies prove that the binding is governed by the size, shape and charge distribution of the bound anion. Gas phase studies show an order of SbF6− ≈ PF6− > ReO4− > ClO4− > SCN− > BF4− > HSO4− > CF3SO3− for anion complexation strength. An extensive crystallographic study reveals the preferred orientations of the anions within the octahedral cav…

anion receptors010405 organic chemistryStereochemistryselectivityCharge densityIsothermal titration calorimetryGeneral Chemistryhemicucurbituril010402 general chemistry01 natural sciences0104 chemical sciencesIonSolventCrystallographychemistry.chemical_compoundmacrocyclesOctahedronchemistryPhase (matter)Selectivityta116Protic solventChemical Science
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Anion Recognition by a Bioactive Diureidodecalin Anionophore: Solid-State, Solution, and Computational Studies

2018

Recent work has identified a bis-(p-nitrophenyl)ureidodecalin anion carrier as a promising candidate for biomedical applications, showing good activity for chloride transport in cells yet almost no cytotoxicity. To underpin further development of this and related compounds, a detailed structural and binding investigation is reported. Crystal structures of the transporter as five solvates confirm the diaxial positioning of urea groups while revealing a degree of conformational flexibility. Structures of complexes with Cl−, Br−, NO3 −, SO4 2− and AcO−, supported by computational studies, show how the binding site can adapt to accommodate these anions. 1H NMR binding studies revealed exception…

Anionsinorganic chemicalsMagnetic Resonance SpectroscopyAnion ReceptorsMolecular Conformationreceptorsanion recognitionCrystal structureCrystallography X-Ray010402 general chemistry01 natural sciencesChlorideCatalysisNitrophenolsComputers MolecularPhysico-chimie généraleChloridesChimie des colloïdesTheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITYmedicineUreaChimieMoleculehost–guest interactionsBinding siteta116Binding SitesFull Paper010405 organic chemistryChemistryHydrogen bondOrganic ChemistryChimie des surfaces et des interfacesGeneral ChemistryFull PapersAffinities0104 chemical sciences3. Good healthChimie organiqueCrystallographyhydrogen bondssolid-state structuresProton NMRSelectivityanionsmedicine.drugChemistry - A European Journal
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