Show simple item record

dc.contributor.authorKahil, Keren
dc.contributor.authorRaiteri, Paolo
dc.contributor.authorGale, Julian
dc.contributor.authorRez, Peter
dc.date.accessioned2022-07-20T06:59:07Z
dc.date.available2022-07-20T06:59:07Z
dc.date.issued2022
dc.identifier.citationKahil, K. and Raiteri, P. and Gale, J.D. and Rez, P. 2022. Calculations of the Evolution of the Ca L23 Fine Structure in Amorphous Calcium Carbonate. Journal of Physical Chemistry B. 126 (27): pp. 5103-5109.
dc.identifier.urihttp://hdl.handle.net/20.500.11937/88976
dc.identifier.doi10.1021/acs.jpcb.2c03440
dc.description.abstract

Amorphous calcium carbonate (ACC) has been found in many different organisms. Biogenic ACC is frequently a precursor in the formation of calcite and aragonite. The process of structural transformation is therefore of great interest in the study of crystallization pathways in biomineralization. Changes in the prepeak/main peak (L2'/L2) intensity ratio of the Ca L23-edge X-ray absorption spectroscopy (XAS) of Ca-rich particles in skeleton-building cells of sea urchin larva revealed that ACC precipitates through a continuum of states rather than through abrupt phase transitions involving two distinct phases as formerly believed. Using an atomic multiplet code, we show that only a tetragonal or "umbrella-like" distortion of the Ca coordination polyhedron can give rise to the observed continuum of states. We also show on the basis of the structures obtained from previous molecular dynamics simulations of hydrated nanoparticles that the Ca L23-edge is not sensitive to atomic arrangements in the early stages of the transformation process.

dc.languageeng
dc.relation.sponsoredbyhttp://purl.org/au-research/grants/arc/FL180100087
dc.titleCalculations of the Evolution of the Ca L23 Fine Structure in Amorphous Calcium Carbonate.
dc.typeJournal Article
dcterms.source.volume126
dcterms.source.number27
dcterms.source.startPage5103
dcterms.source.endPage5109
dcterms.source.issn1520-6106
dcterms.source.titleJournal of Physical Chemistry B
dc.date.updated2022-07-20T06:59:07Z
curtin.note

This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry B, copyright © American Chemical Society, after peer review and technical editing by the publisher. To access the final edited and published work see https://doi.org/10.1021/acs.jpcb.2c03440.

curtin.departmentSchool of Molecular and Life Sciences (MLS)
curtin.accessStatusOpen access
curtin.facultyFaculty of Science and Engineering
curtin.contributor.orcidRaiteri, Paolo [0000-0003-0692-0505]
curtin.contributor.orcidGale, Julian [0000-0001-9587-9457]
curtin.contributor.researcheridRaiteri, Paolo [E-1465-2011]
dcterms.source.eissn1520-5207
curtin.contributor.scopusauthoridRaiteri, Paolo [6602613407]
curtin.contributor.scopusauthoridGale, Julian [7101993408]


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record