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. Author manuscript; available in PMC: 2022 Dec 6.
Published in final edited form as: Analyst. 2021 Dec 6;146(24):7464–7490. doi: 10.1039/d1an01560e

Table 1.

A list of primary Raman metrics along with their method of determination and characterization that influences how they are interpreted.

Metric Measurement Method Characterization Ref
Mineral-to-matrix ratio ν1PO4/amide I Peak intensity ratio (PI) MMR was significantly higher in interstitial vs. osteonal tissue, except when determined by ν1PO4/Amide I 29
ν1PO4/amide III
ν1PO4/Proline
ν1PO4/CH2-wag
ν1PO4/(Pro + Hyp) Integrated peak area ratio (IA) Each MMR reciprocally correlated with ash fraction, R2 = 0.894 to 0.976a 118
ν1PO4/amide I
ν1PO4/amide III
ν1PO4/Phe
ν1PO4/CH2-wag
ν2PO4/amide III IA ratio MMR directly correlated with the % weight of Ca from qBEI, R2=0.75 105
ν1PO4/Phe PI ratio Direct correlation between RS and FTIR, R2 = 0.8331 119
ν1PO4/amide I PI & IA ratios MMR linearly correlated with vBMD from μCT, r=0.709; Raman-PI ratio linearly correlated with IR-IA ratio 120
ν1PO4/(Pro+Hyp)b
ν1PO4/amide I IA ratio Assessed from the cortical bone of young rats, MMR increases with tissue age 121
ν1PO4/amide I IA ratio Higher MMR but lower ash fraction in cortical bone from diabetic ZDSD rats vs. non-diabetic Sprague-Dawley rats 122
ν1PO4/CH2-wag
ν1PO4/amide I PI ratio Higher MMR in cortical bone from diabetic ZDSD rats vs. non-diabetic Sprague-Dawley rats but no difference in Ct.TMD between groups 123
ν1PO4/Pro
Carbonate substitution ν1CO31PO4 PI ratio RS and FTIR did not correlate 119
ν1CO31PO4 IA ratio Carbonate-phosphate ratio highly positively correlated with carbonate percentage (R2 = 0.965) 55
ν1CO31PO4 IA ratio Carbonate in HA of mouse cortical bone significantly increased by 6.4%, on average, from 4–5-mo. to 19-mo. 124
ν1CO31PO4 PI ratio Carbonate in HA of rat cortical bone significantly increased by 1.75%, on average, from 12-mo. to 24-mo. and was higher within the outer tissue than within the inner tissue of the midshaft 125
Crystallinity FWHM[ν1PO4]−1 Maximum intensityc Crystallinity directly correlated with c-axis of the crystal as determined by X-ray diffraction of human bone, buffalo enamel, boar tusk, and HA, R2 = 0.992 126
FWHM[ν1PO4]−1 ν1PO4 peak = 1 Crystallinity of mouse cortical bone significantly increased by 1.9%, on average, from 4–5-mo. to 19-mo. 124
FWHM[ν1PO4]−1 Peak intensity Crystallinity increased as mouse age increased: 4-wk, 10-wk, and 24-wk; fluoridation reduced crystallinity 127
FWHM[ν1PO4]−1 Peak intensity Direct correlation between RS and FTIR, R2 = 0.8589 119
FWHM[ν1PO4]−1 Maximum intensityd High correlation of ν1PO4 peak position R2 = 0.92 and ν1PO4 FWHM R2 = 0.80 with apatite crystallite size assessed by XRD 17
FWHM[ν1PO4]−1 Peak intensity Crystallinity decreases in femoral cortical bones of the rats with chronic kidney disease (CKD) owing to the increased Mg/Ca ratio in the hydroxyapatite 128
a

y = C/(100-x); range identified by local minima

b

958 cm−1 / [917 + 873 + 851 cm−1]

c

Fitted Gaussian curves to the upper 2/3rds of ν1PO4 peak and determined FWHM of the Gaussian curve at 960 cm−1

d

Fitted one Lorentzian curve to ν1PO4 peak (baselined 920 to 990 cm−1) and determined FWHM and band position