Leveraging glycomics data in glycoprotein 3D structure validation with Privateer

• Haroldas Bagdonas,
• Daniel Ungar and
• Jon Agirre

Beilstein J. Org. Chem. 2020, 16, 2523–2533, doi:10.3762/bjoc.16.204

• linkage and sequence information [44]. Moreover, recent advances in ion mobility mass spectrometry can now also be used for a complete glycan analysis [45]. The analysis and interpretation of mass spectrometry spectra produced by glycans is a challenge. Most significantly, in MS outputs, glycans appear in

Anion-driven encapsulation of cationic guests inside pyridine[4]arene dimers

• Anniina Kiesilä,
• Jani O. Moilanen,
• Anneli Kruve,
• Christoph A. Schalley,
• Perdita Barran and
• Elina Kalenius

Beilstein J. Org. Chem. 2019, 15, 2486–2492, doi:10.3762/bjoc.15.241

• in pyridine[4]arene is an anion-driven process. Keywords: cation binding; DFT calculations; ion mobility mass spectrometry; macrocycles; pyridinearenes; resorcinarenes; Introduction Resorcinarenes and their derivatives are known for the molecular recognition properties of their self-assembled

• capsules were originally assumed to encapsulate anionic guests inside their cavity due to the π-acidic character of the aromatic walls [7][8]. Mattey et al. detected 1:1 complex formation with PF6− and BF4− by mass spectrometry, however, without ion mobility mass spectrometry, the location of the anion

• been previously detected by ESI-MS [7]. Very recently, with the help of ion mobility mass spectrometry (IM-MS), we showed that pyridine[4]arenes favor encapsulation of neutral molecules over anionic species and anions are in fact complexed in an exo-position (exclusion complexation) between the lower

Mechanistic studies of an L-proline-catalyzed pyridazine formation involving a Diels–Alder reaction with inverse electron demand

• Anne Schnell,
• J. Alexander Willms,
• S. Nozinovic and
• Marianne Engeser

Beilstein J. Org. Chem. 2019, 15, 30–43, doi:10.3762/bjoc.15.3

• components [5][6]. As a drawback of MS, isomers typically are hard to analyze as they have the same mass and thus lead to the same signal. However, they can be distinguished in fortunate cases by more sophisticated approaches like tandem mass spectrometry [3], ion mobility mass spectrometry [21], or coupling