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Effect of carbon dioxide on self-setting apatite cement formation from tetracalcium phosphate and dicalcium phosphate dihydrate; ATR-IR and chemoinformatics analysis

Otsuka, Yuta and Takeuchi, Masaki and Otsuka, Makoto and Ben-Nissan, Besim and Grossin, David and Tanaka, Hideji Effect of carbon dioxide on self-setting apatite cement formation from tetracalcium phosphate and dicalcium phosphate dihydrate; ATR-IR and chemoinformatics analysis. (2015) Colloid and Polymer Science, 293 (10). 2781-2788. ISSN 0303-402X

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Official URL: http://dx.doi.org/10.1007/s00396-015-3616-6

Abstract

Rapid self-setting apatite cement (SSAC) formation from tetracalcium phosphate (TeCP) and dicalcium phosphate dihydrate (DCPD) has been investigated by an attenuated total reflection Fourier transform infrared (ATR-IR) spectroscopy coupled with a principal component analysis (PCA). After TeCP and DCPD were kneaded with phosphoric acid, the peaks of ATR-IR spectra for the kneaded sample shift significantly in the ranges of 2250–2400 and 850– 1150 cm−1 due to the crystalline transformation into hydroxyapatite (HAp). The PCA results indicate that the loadings of principal components 1 and 2 (PC1 and PC2, respectively) are ascribed to CO2 and phosphate group, respectively, in the transforming cement. The PC1 score initially increases to reach a maximum at around 1000 s and then decreases. In contrast, the PC2 score increases continuously, but its increment became lesser with time. Although the profiles of PC2 score against PC1 score are similar in shape, there are deviations among the profiles obtained through quadruplicate experiments. The scores are, therefore, time differentiated, and the relationship between the differentiated scores is analyzed. The time differentiation approach is found to be useful for understanding complicated chemical reactions. The PCA results suggest that SSAC formation can be divided into three major stages. In the first stage, CO2 concentration in the transforming cement rapidly increases, which triggers HAp crystallization. In the second stage, CO2 concentration still increases, but its increasing rate drastically decreases; HAp crystallization continues with increasing rate. In the last stage, CO2 concentration decreases, and HAp crystallization significantly slows down.

Item Type:Article
Additional Information:Thanks to Springer Verlag editor. The definitive version is available at : http://link.springer.com/journal/396
HAL Id:hal-01490595
Audience (journal):International peer-reviewed journal
Uncontrolled Keywords:
Institution:French research institutions > Centre National de la Recherche Scientifique - CNRS (FRANCE)
Université de Toulouse > Institut National Polytechnique de Toulouse - INPT (FRANCE)
Université de Toulouse > Université Toulouse III - Paul Sabatier - UPS (FRANCE)
Other partners > University of Technology, Sydney - UTS (AUSTRALIA)
Other partners > Musashino University (JAPAN)
Other partners > Tokushima University (JAPAN)
Laboratory name:
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Deposited By: Christophe DROUET
Deposited On:03 Feb 2017 12:34

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