摘要：Various compositional parameters are derived using intensity ratios and integral area ratios of different spectral peaks and bands in the Raman spectrum of bone. The $$ u $$ 1-, $$ u $$ 2-, $$ u $$ 3-, $$ u $$ 4 PO43−, and $$ u_) $$ CO32− bands represent the inorganic phase while amide I, amide III, Proline, Hydroxyproline, Phenylalanine, δ(CH3), δ(CH2), and $$ u $$ (C–H) represent the organic phase. Here, using high-resolution Raman spectroscopy, it is demonstrated that all PO43− bands of bone either partially overlap with or are positioned close to spectral contributions from the organic component. Assigned to the organic component, a shoulder at 393 cm−1 compromises accurate estimation of $$ u $$ 2 PO43− integral area, i.e., phosphate/apatite content, with implications for apatite-to-collagen and carbonate-to-phosphate ratios. Another feature at 621 cm−1 may be inaccurately interpreted as $$ u $$ 4 PO43− band broadening. In the 1020–1080 cm−1 range, the ~ 1047 cm−1 $$ u $$ 3 PO43− sub-component is obscured by the 1033 cm−1 Phenylalanine peak, while the ~ 1076 cm−1 $$ u $$ 3 PO43− sub-component is masked by the $$ u $$ 1 CO32− band. With $$ u $$ 1 PO43− peak broadening, $$ u $$ 2 PO43− integral area increases exponentially and individual peaks comprising the $$ u $$ 4 PO43− band merge together. Therefore, $$ u $$ 2 PO43− and $$ u $$ 4 PO43− band profiles are sensitive to changes in mineral crystallinity.
其他摘要：Abstract Various compositional parameters are derived using intensity ratios and integral area ratios of different spectral peaks and bands in the Raman spectrum of bone. The $$\nu $$ ν 1 -, $$\nu $$ ν 2 -, $$\nu $$ ν 3 -, $$\nu $$ ν 4 PO 4 3− , and $$\nu_{1} $$ ν 1 CO 3 2− bands represent the inorganic phase while amide I, amide III, Proline, Hydroxyproline, Phenylalanine, δ(CH 3 ), δ(CH 2 ), and $$\nu $$ ν (C–H) represent the organic phase. Here, using high-resolution Raman spectroscopy, it is demonstrated that all PO 4 3− bands of bone either partially overlap with or are positioned close to spectral contributions from the organic component. Assigned to the organic component, a shoulder at 393 cm −1 compromises accurate estimation of $$\nu $$ ν 2 PO 4 3− integral area, i.e., phosphate/apatite content, with implications for apatite-to-collagen and carbonate-to-phosphate ratios. Another feature at 621 cm −1 may be inaccurately interpreted as $$\nu $$ ν 4 PO 4 3− band broadening. In the 1020–1080 cm −1 range, the ~ 1047 cm −1 $$\nu $$ ν 3 PO 4 3− sub-component is obscured by the 1033 cm −1 Phenylalanine peak, while the ~ 1076 cm −1 $$\nu $$ ν 3 PO 4 3− sub-component is masked by the $$\nu $$ ν 1 CO 3 2− band. With $$\nu $$ ν 1 PO 4 3− peak broadening, $$\nu $$ ν 2 PO 4 3− integral area increases exponentially and individual peaks comprising the $$\nu $$ ν 4 PO 4 3− band merge together. Therefore, $$\nu $$ ν 2 PO 4 3− and $$\nu $$ ν 4 PO 4 3− band profiles are sensitive to changes in mineral crystallinity.
