Investigation of Ion–Molecular Complexes of beta–Cyclodextrin with Proteins and Metals in Gas Phase

Gas-Phase Fragmentation of Cyclic Oligosaccharides in Tandem Mass Spectrometry

“…There are several papers devoted to the selective fragmentation of protonated and cationized (metallated) molecules of cyclodextrins (cations) [32,33,34,35,36,37] and deprotonated molecules (anions) [38]. CID MS 2 spectra of associates of CDs with following cations were studied: Li + [32,34], Na + [33,36], Mg 2+ , Ca 2+ , Cd 2+ , Co 2+ , Cu 2+ , Pb 2+ [33], Th 4+ , Ce 3+ [35], NH 4 + [37]. For all cations, singly or multiply charged, the consecutive losses of 162 Da (Glc p unit) or, in less extent, for multiply charged ions, losses of 264 Da (C 10 H 16 O 8 ) were observed.…”

“…For all cations, singly or multiply charged, the consecutive losses of 162 Da (Glc p unit) or, in less extent, for multiply charged ions, losses of 264 Da (C 10 H 16 O 8 ) were observed. The former neutral loss occurs definitely due to glycosidic bond(s) cleavage, whereas the latter one apparently involves interresidue cleavage (i.e., the rupture of the C-C bonds in the carbohydrate unit) [33,35]. For cyclofructans CF6 and CF7, formation of [CF – H + Cat] + ions (Cat = Fe 2+ , Co 2+ , Ni 2+ , Cu 2+ , and Zn 2+ ) was observed when using aqueous methanol, acetone and acetonitrile solutions for ESI MS; their CID resulted in sequential loss of Fru f units (peak difference in 162 Da, the most abundant series), ions of the second (less abundant) series were on 18 Da (H 2 O) heavier [39].…”

Inclusion Complex Formation of β-Cyclodextrin with the Nonsteroidal Anti-inflammatory Drug Flufenamic Acid: Computational Study

“…[14][15][16][17] Among these macrocycles, β-CD exhibiting the lowest aqueous solubility is the most commonly used as a cheapest molecular host because its cavity diameter can bind efficiently various molecules such as hormones, [18,19] metals [20] and vitamins. [21,22] In the last decades, experimental techniques including Proton Nuclear Magnetic Resonance spectroscopy ( 1 H NMR) used in combination with computational investigations, have been dedicated to the study of inclusion complexes of CDs.…”