title: Gas-phase fragmentation of host-guest complexes between β-cyclodextrin and small molecules.
abstract: Noncovalent interactions are ubiquitous in molecular interaction and supramolecular self-assembly. As a model system, host-guest complexes between β-cyclodextrin (β-CD) and small molecules have been extensively studied and widely used in a variety of application fields including drug transportation and fluorescence enhancement. However, details on how guest molecules interact with the β-CD hosts to demonstrate the observed effects still remain to be further studied. In this work, we report the study of gas-phase fragmentation of host-guest complexes formed between β-CD and small guest molecules by using collision induced dissociation (CID). The CID mass spectra of the complexes changed dramatically as the collision energy was increased. Fragmentation patterns of β-CD complexed with different small molecules were analyzed and the differences in the presence/absence of fragment ions from the β-CD were attributed to varied proton affinity of the small molecules. Furthermore, the CE(50) values fitted from the fragmentation curves were used in the qualitative evaluation of interactions in noncovalent host-guest systems.
authors.affiliation: Department of Chemistry, Tsinghua University, Beijing 100084, China.
authors.forename: Xiaoxiao
authors.initials: X
authors.lastname: Ma
authors.forename: Zhenwei
authors.initials: Z
authors.lastname: Wei
authors.forename: Xingchuang
authors.initials: X
authors.lastname: Xiong
authors.forename: You
authors.initials: Y
authors.lastname: Jiang
authors.forename: Junwei
authors.initials: J
authors.lastname: He
authors.forename: Sichun
authors.initials: S
authors.lastname: Zhang
authors.forename: Xiang
authors.initials: X
authors.lastname: Fang
authors.forename: Xinrong
authors.initials: X
authors.lastname: Zhang
mesh_terms: D005740:Gases / Q000737:chemistry*; D013058:Mass Spectrometry / Q000379:methods*; D054852:Small Molecule Libraries / Q000737:chemistry*; D047392:beta-Cyclodextrins / Q000737:chemistry*
chemical_list: D005740:Gases; D054852:Small Molecule Libraries; D047392:beta-Cyclodextrins