title: Anion binding by bambus[6]uril probed in the gas phase and in solution.
abstract: Electrospray ionization mass spectrometry (ESI-MS) is used to probe the binding of small anions to the macrocycle of bambus[6]uril. For the halide ions, the experimental patterns suggest F(-) < Cl(-) < Br(-) < I(-), which is consistent with the order of anion binding found in the condensed phase. Parallel equilibrium studies in the condensed phase establish the association constants of halide anions and bambus[6]uril in mixed solvents. A detailed analysis of the mass spectrometric data is used to shed light on the correlations between the binding constants in the condensed phase and the ion abundances observed using ESI-MS. From the analysis it becomes apparent that ESI-MS can indeed represent the situation in solution to some extent, but the sampling in the gas-phase experiment is not 1:1 compared to that in solution.
authors: Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, Prague, Czech Republic.
authors: Agnes
authors: A
authors: Révész
authors: Detlef
authors: D
authors: Schröder
authors: Jan
authors: J
authors: Svec
authors: Michaela
authors: M
authors: Wimmerová
authors: Vladimir
authors: V
authors: Sindelar
mesh_terms: D000838:Anions / Q000737:chemistry; D001665:Binding Sites; D005740:Gases / Q000737:chemistry; D007093:Imidazoles / Q000737:chemistry*; D047028:Macrocyclic Compounds / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure; D012996:Solutions; D021241:Spectrometry, Mass, Electrospray Ionization
chemical_list: D000838:Anions; D005740:Gases; D007093:Imidazoles; D047028:Macrocyclic Compounds; D012996:Solutions; C569684:bambus(6)uril