A Combined Infrared Ion Spectroscopy and Computational
Chemistry Study of Hydroxyproline Isomers
Posted on 2020-05-21 - 16:25
Hydroxyproline
is a common variation of proline, with diverse biological
roles. The hydroxylation of proline gives rise to several (natural
and/or synthetic) isomeric forms, including both positional isomers
and stereoisomers. While mass spectrometry is widely touted as a very
selective analytical technique, the identification of closely related
isomers often poses a challenge. In these cases, allied technologies
become helpful in providing full characterization. Here, infrared
multiple photon dissociation (IRMPD) spectroscopy is used to differentiate
between three isomers, namely cis-3-hydroxyproline, cis-4-hydroxyproline, and trans-4-hydroxyproline.
In contrast to the protonated species which show only minor variations
in their IRMPD spectra, lithiated species were found to display significant
spectral differences, making their differentiation more straightforward.
The conformational origin of these spectral differences was investigated
by complementary quantum-chemical calculations.
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Acharya, Baku; Kaushalya, W. K. D. N.; Martens, Jonathan; Berden, Giel; Oomens, Jos; Patrick, Amanda L. (2020). A Combined Infrared Ion Spectroscopy and Computational
Chemistry Study of Hydroxyproline Isomers. ACS Publications. Collection. https://doi.org/10.1021/jasms.0c00061