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Creators/Authors contains: "Guan, Shanshan"

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  1. Cucurbit[7]uril complexes aggregate into well-defined trimers in dimethyl sulfoxide in the presence of a selection of cations, as long as the host cavity is filled with a guest that leaves one carbonylated portal available for cation binding. 
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  2. Peptidoglycans are diverse co- and post-translational modifications of key importance in myriad biological processes. Mass spectrometry is employed to infer their biomolecular sequences and stereochemisties, but little is known about the critical gas-phase dissociation processes involved. Here, using tandem mass spectrometry (MS/MS and MS n ), isotopic labelling and high-level simulations, we identify and characterize a facile isomerization reaction that produces furanose N-acetylated ions. This reaction occurs for both O- and N-linked peptidoglycans irrespective of glycosidic linkage stereochemistry (α/β). Dissociation of the glycosidic and other bonds thus occur from the furanose isomer critically altering the reaction feasibility and product ion structures. 
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