Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH
Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH
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Date
2021
Authors
Huang, Shing-Jong
Chang, Chun-Yu
Drechsler, Markus
Chan, Jerry Chun Chung
Raiteri, Paolo
Gale, Julian D
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Angewandte Chemie International Edition ; 60 (2021), 30. - pp. 16707-16713. - Wiley. - ISSN 1433-7851. - eISSN 1521-3773
Abstract
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.
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HUANG, Yu-Chieh, Ashit RAO, Shing-Jong HUANG, Chun-Yu CHANG, Markus DRECHSLER, Jennifer KNAUS, Jerry Chun Chung CHAN, Paolo RAITERI, Julian D GALE, Denis GEBAUER, 2021. Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH. In: Angewandte Chemie International Edition. Wiley. 60(30), pp. 16707-16713. ISSN 1433-7851. eISSN 1521-3773. Available under: doi: 10.1002/anie.202104002BibTex
@article{Huang2021-07-19Uncov-54194, year={2021}, doi={10.1002/anie.202104002}, title={Uncovering the Role of Bicarbonate in Calcium Carbonate Formation at Near-Neutral pH}, number={30}, volume={60}, issn={1433-7851}, journal={Angewandte Chemie International Edition}, pages={16707--16713}, author={Huang, Yu-Chieh and Rao, Ashit and Huang, Shing-Jong and Chang, Chun-Yu and Drechsler, Markus and Knaus, Jennifer and Chan, Jerry Chun Chung and Raiteri, Paolo and Gale, Julian D and Gebauer, Denis} }
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