Effects of calcium complexation on heparin-like disaccharides. A combined theoretical, tandem mass spectrometry and ultraviolet experiment - Archive ouverte HAL Access content directly
Journal Articles Rapid Communications in Mass Spectrometry Year : 2015

Effects of calcium complexation on heparin-like disaccharides. A combined theoretical, tandem mass spectrometry and ultraviolet experiment

Abstract

Rationale : In order to shed light on the influence of the Ca2+ metal cation on the structure of heparin-like (Hp) disaccharides, we have explored the gas-phase structures of both [Hp, −2H]2− and [Ca(Hp), −3H]− ions by coupling experimental and theoretical methods.Methods : The goal of this work was to (i) provide new evidence of the metal influence on the Hp structure, which can have important biological consequences, and (ii) to study the usefulness of metal complexation for the analytical distinction of Hp isomers. Collision-induced dissociation (CID) and ultraviolet photodissociation (UVPD) fragments, as well as optical spectra recorded in the gas phase for both [Hp, −2H]2− and [Ca(Hp), −3H]− complexes were compared for I-H, II-S and III-S isomers of Hp.Results : In the case of CID fragmentation, a change in the fragmentation pattern was observed upon calcium complexation, with respect to deprotonated Hp.Conclusions : Remarkably, when optical spectra are compared in the UV range, the metal effect on the carboxylic group absorption can be detected by an unambiguous blue-shift (~20 nm).
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Dates and versions

hal-01221299 , version 1 (08-10-2018)

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Daniel Ortiz, Quentin Enjalbert, Luke Macaleese, Philippe Dugourd, Jean-Yves Salpin. Effects of calcium complexation on heparin-like disaccharides. A combined theoretical, tandem mass spectrometry and ultraviolet experiment. Rapid Communications in Mass Spectrometry, 2015, 29 (12), pp.1135-1144. ⟨10.1002/rcm.7204⟩. ⟨hal-01221299⟩
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