Temperature-induced mobility in octacalcium phosphate impacts crystal symmetry: water dynamics studied by NMR crystallography

• Published in: Faraday discussions Vol. 255; pp. 451 - 482
• Main Authors: Nelson, Adam, Papawassiliou, Wassilios, Paul, Subhradip, Hediger, Sabine, Hung, Ivan, Gan, Zhehong, Venkatesh, Amrit, Franks, W. Trent Trent, Smith, Mark E, Gajan, David, De Paëpe, Gaël, Bonhomme, Christian, Laurencin, Danielle, Gervais, Christel
• Format: Journal Article
• Language: English
• Published: England Royal Society of Chemistry 08.01.2025
• Subjects: Ambient temperature; Biocompatibility; Calcium isotopes; Calcium phosphates; Chemical Sciences; Crystallography; Material chemistry; Materials substitution; Molecular dynamics; NMR; Nuclear magnetic resonance; Room temperature; Symmetry; Water chemistry; NMR; DNP

Octacalcium phosphate (OCP, Ca 8 (PO 4 ) 4 (HPO 4 ) 2 ·5H 2 O) is a notable calcium phosphate due to its biocompatibility, making it a widely studied material for bone substitution. It is known to be a precursor of bone mineral, but its role in biomineralisation remains unclear. While the structure...