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The Monetite Structure Probed by Advanced Solid-State NMR Experimentation at Fast Magic-Angle Spinning.

Artikel i vetenskaplig tidskrift
Författare Yang Yu
Baltzar Stevensson
Michael Pujari-Palmer
Hua Guo
Håkan Engqvist
Mattias Edén
Publicerad i International journal of molecular sciences
Volym 20
Nummer/häfte 24
ISSN 1422-0067
Publiceringsår 2019
Publicerad vid
Språk en
Länkar dx.doi.org/10.3390/ijms20246356
www.ncbi.nlm.nih.gov/entrez/query.f...
Ämneskategorier Biomaterialvetenskap

Sammanfattning

We present a solid-state nuclear magnetic resonance (NMR) spectroscopy study of the local 31 P and 1 H environments in monetite [CaHPO 4 ; dicalcium phosphate anhydrous (DCPA)], as well as their relative spatial proximities. Each of the three 1 H NMR peaks was unambiguously assigned to its respective crystallographically unique H site of monetite, while their pairwise spatial proximities were probed by homonuclear 1 H- 1 H double quantum-single quantum NMR experimentation under fast magic-angle spinning (MAS) of 66 kHz. We also examined the relative 1 H- 31 P proximities among the inequivalent {P1, P2} and {H1, H2, H3} sites in monetite; the corresponding shortest internuclear 1 H- 31 P distances accorded well with those of a previous neutron diffraction study. The NMR results from the monetite phase were also contrasted with those observed from the monetite component present in a pyrophosphate-bearing calcium phosphate cement, demonstrating that while the latter represents a disordered form of monetite, it shares all essential local features of the monetite structure.

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