Mechanical Properties of a Calcium Dietary Supplement, Calcium Fumarate Trihydrate

DOI: 10.1021/acs.inorgchem.5b01466
PMID: 26588472

Authors: Shijing Sun (University of Cambridge) , Sebastian Henke (University of Cambridge) , Michael T. Wharmby (Diamond Light Source) , Hamish H. M. Yeung (NIMS) , Wei Li (University of Cambridge) , Anthony K. Cheetham (University of Cambridge)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Inorganic Chemistry , VOL 54 (23) , PAGES 11186 - 11192

State: Published (Approved)
Published: November 2015
Diamond Proposal Number(s): 8580

Abstract: The mechanical properties of calcium fumarate trihydrate, a 1D coordination polymer considered for use as a calcium source for food and beverage enrichment, have been determined via nanoindentation and high-pressure X-ray diffraction with single crystals. The nanoindentation studies reveal that the elastic modulus (16.7–33.4 GPa, depending on crystallographic orientation), hardness (1.05–1.36 GPa), yield stress (0.70–0.90 GPa), and creep behavior (0.8–5.8 nm/s) can be rationalized in view of the anisotropic crystal structure; factors include the directionality of the inorganic Ca–O–Ca chain and hydrogen bonding, as well as the orientation of the fumarate ligands. High-pressure single-crystal X-ray diffraction studies show a bulk modulus of ∼20 GPa, which is indicative of elastic recovery intermediate between small molecule drug crystals and inorganic pharmaceutical ingredients. The combined use of nanoindentation and high-pressure X-ray diffraction techniques provides a complementary experimental approach for probing the critical mechanical properties related to tableting of these dietary supplements.

Subject Areas: Chemistry


Instruments: I19-Small Molecule Single Crystal Diffraction