Vibrational spectral fingerprinting for chemical recognition of biominerals

• Published in: Chemphyschem Vol. 21; no. 8; pp. 770 - 778
• Main Authors: Calzolari, Arrigo, Pavan, Barbara, Curtarolo, Stefano, Buongiorno Nardelli, Marco, Fornari, Marco
• Format: Journal Article
• Language: English
• Published: Germany Wiley Subscription Services, Inc 20.04.2020
• Subjects: Apatite; Apatites; Apatites - chemistry; Biocompatible Materials - chemistry; Biomedical materials; biominerals; Carbonation; density functional calculations; Fingerprinting; First principles; Fluorapatite; IR spectroscopy; Models, Molecular; NMR; Nuclear magnetic resonance; Osteoporosis; Spectrum Analysis, Raman; vibrational markers; Vibrational spectra; biominerals; density functional calculations; vibrational markers; Apatites; IR spectroscopy

Pathologies associated with calcified tissue, such as osteoporosis, demand in vivo and/or in situ spectroscopic analysis to assess the role of chemical substitutions in the inorganic component. High energy X‐ray or NMR spectroscopies are impractical or damaging in biomedical conditions. Low energy s...