¹⁷O solid state NMR as a valuable tool for deciphering reaction mechanisms in mechanochemistry: the case study on the ¹⁷O-enrichment of hydrated Ca-pyrophosphate biominerals

Abstract

The possibility of enriching in 17O the water molecules within hydrated biominerals belonging to the Ca-pyrophosphate family was investigated, using liquid assisted grinding (LAG) in the presence of 17O-labelled water....

Temperature-induced mobility in Octacalcium Phosphate impacts crystal symmetry: water dynamics studied by NMR crystallography

“…H experiments,50 the synthesis of 2 H-enriched OCP was not attempted as part of this contribution, as an overlap between 24 2 H sites was expected, thereby requiring extensive complementary studies to ensure accurate interpretation.All in all, the present work highlights the limitations in studying hydrated phases solely at ambient temperature and using static models, and the importance of low-temperature NMR and molecular dynamics simulations in such cases 53. It also opens the possibility of studying the mechanism of transformation of OCP into HAp in even more detail, given the improved resolution afforded by low temperatures and new knowledge about the structure of OCP.…”