Binding energies of water to doubly hydrated cationized glutamine and structural analogues in the gas phase

The modes of metal ion and water binding in doubly hydrated complexes of lithiated and sodiated glutamine (Gln) are probed using blackbody infrared radiative dissociation (BIRD) experiments and density functional theory (DFT) calculations. The results show that the doubly hydrated complexes containing sodium are more stable than those containing lithium.