Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH
Mechanistic pathways relevant to mineralization are not well-understood fundamentally, let alone in the context of their biological and geological environments. Through quantitative analysis of ion association at near-neutral pH, we identify the involvement of HCO3− ions in CaCO3 nucleation. Incorpo...
| Main Authors: | , , , , , , , , , |
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| Format: | Journal Article |
| Language: | English |
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WILEY-V C H VERLAG GMBH
2021
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| Online Access: | http://purl.org/au-research/grants/arc/FL180100087 http://hdl.handle.net/20.500.11937/84768 |
| _version_ | 1848764682086645760 |
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| author | Huang, Y.C. Rao, A. Huang, S.J. Chang, C.Y. Drechsler, M. Knaus, J. Chan, J.C.C. Raiteri, Paolo Gale, Julian Gebauer, Denis |
| author_facet | Huang, Y.C. Rao, A. Huang, S.J. Chang, C.Y. Drechsler, M. Knaus, J. Chan, J.C.C. Raiteri, Paolo Gale, Julian Gebauer, Denis |
| author_sort | Huang, Y.C. |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | Mechanistic pathways relevant to mineralization are not well-understood fundamentally, let alone in the context of their biological and geological environments. Through quantitative analysis of ion association at near-neutral pH, we identify the involvement of HCO3− ions in CaCO3 nucleation. Incorporation of HCO3− ions into the structure of amorphous intermediates is corroborated by solid-state nuclear magnetic resonance spectroscopy, complemented by quantum mechanical calculations and molecular dynamics simulations. We identify the roles of HCO3− ions as being through (i) competition for ion association during the formation of ion pairs and ion clusters prior to nucleation and (ii) incorporation as a significant structural component of amorphous mineral particles. The roles of HCO3− ions as active soluble species and structural constituents in CaCO3 formation are of fundamental importance and provide a basis for a better understanding of physiological and geological mineralization. |
| first_indexed | 2025-11-14T11:23:14Z |
| format | Journal Article |
| id | curtin-20.500.11937-84768 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T11:23:14Z |
| publishDate | 2021 |
| publisher | WILEY-V C H VERLAG GMBH |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-847682021-08-12T05:27:45Z Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH Huang, Y.C. Rao, A. Huang, S.J. Chang, C.Y. Drechsler, M. Knaus, J. Chan, J.C.C. Raiteri, Paolo Gale, Julian Gebauer, Denis Science & Technology Physical Sciences Chemistry, Multidisciplinary Chemistry amorphous materials bicarbonate calcium carbonate mineral nucleation NMR spectroscopy MAGNESIUM CARBONATE NUCLEATION CLUSTERS PHASE Mechanistic pathways relevant to mineralization are not well-understood fundamentally, let alone in the context of their biological and geological environments. Through quantitative analysis of ion association at near-neutral pH, we identify the involvement of HCO3− ions in CaCO3 nucleation. Incorporation of HCO3− ions into the structure of amorphous intermediates is corroborated by solid-state nuclear magnetic resonance spectroscopy, complemented by quantum mechanical calculations and molecular dynamics simulations. We identify the roles of HCO3− ions as being through (i) competition for ion association during the formation of ion pairs and ion clusters prior to nucleation and (ii) incorporation as a significant structural component of amorphous mineral particles. The roles of HCO3− ions as active soluble species and structural constituents in CaCO3 formation are of fundamental importance and provide a basis for a better understanding of physiological and geological mineralization. 2021 Journal Article http://hdl.handle.net/20.500.11937/84768 10.1002/anie.202104002 English http://purl.org/au-research/grants/arc/FL180100087 http://purl.org/au-research/grants/arc/FT130100463 http://creativecommons.org/licenses/by-nc/4.0/ WILEY-V C H VERLAG GMBH fulltext |
| spellingShingle | Science & Technology Physical Sciences Chemistry, Multidisciplinary Chemistry amorphous materials bicarbonate calcium carbonate mineral nucleation NMR spectroscopy MAGNESIUM CARBONATE NUCLEATION CLUSTERS PHASE Huang, Y.C. Rao, A. Huang, S.J. Chang, C.Y. Drechsler, M. Knaus, J. Chan, J.C.C. Raiteri, Paolo Gale, Julian Gebauer, Denis Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH |
| title | Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH |
| title_full | Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH |
| title_fullStr | Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH |
| title_full_unstemmed | Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH |
| title_short | Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH |
| title_sort | uncovering the role of bicarbonate in calcium carbonate formation at near-neutral ph |
| topic | Science & Technology Physical Sciences Chemistry, Multidisciplinary Chemistry amorphous materials bicarbonate calcium carbonate mineral nucleation NMR spectroscopy MAGNESIUM CARBONATE NUCLEATION CLUSTERS PHASE |
| url | http://purl.org/au-research/grants/arc/FL180100087 http://purl.org/au-research/grants/arc/FL180100087 http://hdl.handle.net/20.500.11937/84768 |