Importance of FTIR spectra deconvolution for the analysis of amorphous calcium phosphates

Agnese Brangule, Karlis Agris Gross

Research output: Contribution to journalConference articlepeer-review

34 Citations (Scopus)


This work will consider Fourier transform infrared spectroscopy-diffuse reflectance infrared reflection (FTIR-DRIFT) for collecting the spectra and deconvolution to identify changes in bonding as a means of more powerful detection. Spectra were recorded from amorphous calcium phosphate synthesized by wet precipitation, and from bone. FTIR-DRIFT was used to study the chemical environments of PO4, CO3 and amide. Deconvolution of spectra separated overlapping bands in the 4PO4, 2CO3, 3CO3 and amide region allowing a more detailed analysis of changes at the atomic level. Amorphous calcium phosphate dried at 80 oC, despite showing an X-ray diffraction amorphous structure, displayed carbonate in positions resembling a carbonated hydroxyapatite. Additional peaks were designated as A1 type, A2 type or B type. Deconvolution allowed the separation of CO3 positions in bone from amide peaks. FTIR-DRIFT spectrometry in combination with deconvolution offers an advanced tool for qualitative and quantitative determination of CO3, PO4 and HPO4 and shows promise to measure the degree of order.

Original languageEnglish
Article number012027
JournalIOP Conference Series: Materials Science and Engineering
Issue number1
Publication statusPublished - 2015
Event12th Russia/CIS/Baltic/Japan Symposium on Ferroelectricity, RCBJSF 2014 and 9th International Conference on Functional Materials and Nanotechnologies - Riga, Latvia
Duration: 29 Sep 20142 Oct 2014
Conference number: 12


  • amorphous calcium phosphate
  • bone
  • spectroscopy
  • deconvolution

Field of Science*

  • 2.5 Materials engineering
  • 1.4 Chemical sciences

Publication Type*

  • 3.2. Articles or chapters in other proceedings other than those included in 3.1., with an ISBN or ISSN code


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