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dc.contributor.authorLi, Yang
dc.contributor.authorReid, David
dc.contributor.authorDuer, Melinda
dc.contributor.authorChan, Jerry CC
dc.date.accessioned2018-10-03T04:46:19Z
dc.date.available2018-10-03T04:46:19Z
dc.date.issued2018-11
dc.identifier.issn0926-2040
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/283124
dc.description.abstractOctacalcium phosphate (OCP; Ca8(HPO4)2(PO4)4. 5H2O) is a plausible precursor phase of biological hydroxyapatite, which composites with a number of biologically relevant organic metabolites. Widely used material science physicochemical structure determination techniques successfully characterize the mineral component of these composites but leave details of the structure, and interactions with mineral, of the organic component almost completely obscure. The metabolic linear di-acids succinate (SUC) and adipate (ADI) differentially expand the hydrated (100) layer of OCP. 13C13C correlation (proton driven spin diffusion, PDSD) experiments on OCP composited with (U-13C4)-SUC, and (U13C6)-ADI, show that the two di-acids per unit cell adopt non-centrosymmetric but mutually identical structures. 13C{31P}, rotational echo double resonance (REDOR) shows that one end of each linear di-acid is displaced further from the surface of the apatitic OCP layer relative to the other end. Overall the results indicate two di-acids per unit cell disposed perpendicularly across the OCP hydrated layer with one carboxylate of each di-acid substituting a hydrated surface OCP phosphate group. This study re-affirms the unique advantages of ssNMR in elucidating structural details of organic-inorganic biocomposites, and thereby mechanisms underlying the roles of small metabolites in influencing biomineralization mechanisms and outcomes.
dc.description.sponsorshipNone
dc.format.mediumPrint-Electronic
dc.languageeng
dc.publisherElsevier BV
dc.rightsAttribution 4.0 International
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.subjectCalcium Phosphates
dc.subjectSuccinic Acid
dc.subjectMagnetic Resonance Spectroscopy
dc.subjectAdipates
dc.titleSolid state NMR - An indispensable tool in organic-inorganic biocomposite characterization; refining the structure of octacalcium phosphate composites with the linear metabolic di-acids succinate and adipate.
dc.typeArticle
prism.endingPage5
prism.publicationDate2018
prism.publicationNameSolid State Nucl Magn Reson
prism.startingPage1
prism.volume95
dc.identifier.doi10.17863/CAM.30485
dcterms.dateAccepted2018-08-21
rioxxterms.versionofrecord10.1016/j.ssnmr.2018.08.004
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserved
rioxxterms.licenseref.startdate2018-11
dc.contributor.orcidReid, David [0000-0003-2464-5295]
dc.contributor.orcidDuer, Melinda [0000-0001-6594-8917]
dc.identifier.eissn1527-3326
dc.publisher.urlhttp://www.elsevier.com/locate/ssnmr
rioxxterms.typeJournal Article/Review
pubs.funder-project-idMedical Research Council (MR/M01066X/1)
cam.issuedOnline2018-08-28


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Attribution 4.0 International
Except where otherwise noted, this item's licence is described as Attribution 4.0 International