Hydroxyapatite is a major component of teeth and bones and is used commercially in metal sequestration. Near infrared imaging and spectroscopy has found increasing use in characterisation of these materials, particularly in context of dental conditions. The near infrared spectra of these materials are reviewed in terms of band assignments related to water in various states, P-OH and organic material, and in terms of light scattering. The effect of factors such as acid and heat on the NIR spectra of bones and teeth is also described. This review is intended to provide a resource for future researchers using NIR spectroscopy in characterisation of hydroxyapatite containing material.
PtáčekP. Introduction to apatites. Apatites and their synthetic analogues-synthesis, structure, properties and applications. London, UK: IntechOpen, 2016.
2.
HughesJM. Structure and chemistry of the apatites and other calcium orthophosphates by J. C. Elliot (The London Hospital Medical College). Elsevier: Amsterdam. 1994. xii + 389 pp. ISBN 0-444-81582-1. J Am Chem Soc1996; 118: 3072-3072. DOI: 10.1021/ja945007t.
3.
KolmasJMarekDKolodziejskiW. Near-infrared (NIR) spectroscopy of synthetic hydroxyapatites and human dental tissues. Appl Spectrosc2015; 69: 902–912. DOI: 10.1366/14-07720.
4.
SivakumarMKumarTSShanthaK, et al.Development of hydroxyapatite derived from Indian coral. Biomaterials1996; 17: 1709–1714.
5.
PrabakaranKRajeswariS. Spectroscopic investigations on the synthesis of nano-hydroxyapatite from calcined eggshell by hydrothermal method using cationic surfactant as template. Spectrochim Acta Mol Biomol Spectrosc2009; 74: 1127–1134.
6.
PiattelliAScaranoACoriglianoM, et al.Comparison of bone regeneration with the use of mineralized and demineralized freeze-dried bone allografts: a histological and histochemical study in man. Biomaterials1996; 17: 1127–1131.
7.
DorozhkinSV. Nanodimensional and nanocrystalline apatites and other calcium orthophosphates in biomedical engineering, biology and medicine. Materials2009; 2: 1975–2045.
8.
HanJ-KSongH-YSaitoF, et al.Synthesis of high purity nano-sized hydroxyapatite powder by microwave-hydrothermal method. Mater Chem Phys2006; 99: 235–239.
9.
D'ElíaNLMathieuCHoemannCD, et al.Bone-repair properties of biodegradable hydroxyapatite nano-rod superstructures. Nanoscale2015; 7: 18751–18762.
10.
ZhengJWengLQShiMY, et al.Effect of water content on the nanomechanical properties and microtribological behaviour of human tooth enamel. Wear2013; 301: 316–323. DOI: 10.1016/j.wear.2012.12.043.
11.
AilavajhalaRQueridoWRajapakseCS, et al.Near infrared spectroscopic assessment of loosely and tightly bound cortical bone water. Analyst2020; 145: 3713–3724.
12.
DarlingCLHuynhGFriedD. Light scattering properties of natural and artificially demineralized dental enamel at 1310 nm. J Biomed Opt2006; 11: 034023.
13.
ChungSFriedDStaninecM, et al.Multispectral near-IR reflectance and transillumination imaging of teeth. Biomed Opt Express2011; 2: 2804–2814. DOI: 10.1364/BOE.2.002804.
14.
StathopoulouETPsycharisVChryssikosGD, et al.Bone diagenesis: new data from infrared spectroscopy and X-ray diffraction. Palaeogeogr Palaeoclimatol Palaeoecol2008; 266: 168–174.
15.
BiancolilloATomassettiMBucciR, et al.Ancient human bones studied and compared by near infrared spectroscopy, thermogravimetry and chemometrics. J Near Infrared Spectrosc2019; 27: 6–14.
16.
CascantMMRubioSGallelloG, et al.Burned bones forensic investigations employing near infrared spectroscopy. Vib Spectrosc2017; 90: 21–30.
17.
SodataPPeerapattanaJ. Application of near infrared spectroscopy with chemometrics for qualitative and quantitative dental caries assessment. Vib Spectrosc2020; 111: 103170.
18.
PretoriusNEPowerATennantM, et al.The use of vibrational spectroscopy in the geographic characterization of human teeth: a systematic review. Appl Spectrosc Rev2018; 55: 105–127. DOI: 10.1080/05704928.2018.1539006.
19.
HaleGMQuerryMR. Optical constants of water in the 200-nm to 200-microm wavelength region. Appl Opt1973; 12: 555–563.
20.
Angmar-MånssonBTen BoschJ. Optical methods for the detection and quantification of caries. Adv Dent Res1987; 1: 14–20.
21.
IshikawaTWakamuraMKondoS. Surface characterization of calcium hydroxylapatite by Fourier transform infrared spectroscopy. Langmuir1989; 5: 140–144. DOI: 10.1021/la00085a025.
22.
FriedDGlenaREFeatherstoneJD, et al.Nature of light scattering in dental enamel and dentin at visible and near-infrared wavelengths. Appl Opt1995; 34: 1278–1285.
23.
IshikawaT. Adsorption on new and modified inorganic sorbents: studies in surface science and catalysis. Amsterdam, Netherlands: Elsevier, 1996.
24.
JonesRSFriedD. Attenuation of 1310-and 1550-nm laser light through sound dental enamel. In: Lasers in dentistry VIII 2002. Bellingham, WA: International Society for Optics and Photonics, 2002, pp. 187–190.
25.
JonesRHuynhGJonesG, et al.Near-infrared transillumination at 1310-nm for the imaging of early dental decay. Opt Express2003; 11: 2259–2265. DOI: 10.1364/OE.11.002259.
26.
HuynhGDDarlingCLFriedD. Changes in the optical properties of dental enamel at 1310 nm after demineralization. In: Lasers in dentistry X 2004. Bellingham, WA: International Society for Optics and Photonics, 2004, pp. 118–124.
27.
BühlerCMNgaotheppitakPFriedD. Imaging of occlusal dental caries (decay) with near-IR light at 1310-nm. Opt Express2005; 13: 573–582.
28.
DarlingCLFriedD. Optical properties of natural caries lesions in dental enamel at 1310 nm. In: Lasers in dentistry XI 2005. Bellingham, WA: International Society for Optics and Photonics, 2005, pp. 102–110.
29.
BertinettiLDrouetCCombesC, et al.Surface characteristics of nanocrystalline apatites: effect of Mg surface enrichment on morphology, surface hydration species, and cationic environments. Langmuir2009; 25: 5647–5654.
ZakianCMPrettyIAEllwoodR. Near-infrared hyperspectral imaging of teeth for dental caries detection. J Biomed Opt2009; 14: 064047.
32.
WuJFriedD. High contrast near‐infrared polarized reflectance images of demineralization on tooth buccal and occlusal surfaces at λ = 1310‐nm. Laser Surg Med2009; 41: 208–213.
33.
TakeuchiMMartraGColucciaS, et al.Investigations of the photoinduced superhydrophilicity of the TiO2 photocatalyst surface by near-infrared spectroscopy. Environmentally benign photocatalysts. Berlin, Germany: Springer, 2010, pp. 527–542.
34.
BouteillerYTremblayBPerchardJ. The vibrational spectrum of the water dimer: comparison between anharmonic ab initio calculations and neon matrix infrared data between 14,000 and 90 cm−1. Chem Phys2011; 386: 29–40.
35.
UsenikPBürmenMFidlerA, et al.Near-infrared hyperspectral imaging of water evaporation dynamics for early detection of incipient caries. J Dent2014; 42: 1242–1247.
36.
NgCAlmazECSimonJC, et al.Near-infrared imaging of demineralization on the occlusal surfaces of teeth without the interference of stains. J Biomed Opt2019; 24: 1–8.
37.
PasterisJDYoderCHWopenkaB. Molecular water in nominally unhydrated carbonated hydroxylapatite: The key to a better understanding of bone mineral. Am Mineral2014; 99: 16–27.
38.
XuBPoduskaKM. Linking crystal structure with temperature-sensitive vibrational modes in calcium carbonate minerals. Phys Chem Chem Phys2014; 16: 17634–17639.
39.
Luna ZaragozaDRomero-GuzmánETReyes-GutiérrezLR. Surface and physicochemical characterization of phosphates vivianite, Fe2(PO4)3 and hydroxyapatite, Ca5(PO4)3OH. J Mener Mater Charact Eng2009; 8(8): 591–609. DOI: 10.4236/jmmce.2009.88052.
40.
PS Uniuersity. The infrared spectra of minerals. Edited bY VC Farmer. Mineralogical Society Monograph 4, 1974. Min-eralogical Society, 4l Queen’s Gate, London SW7 5HR. x+ 539 pages e16. 00, $38.00. It is something of a curiosity of science that despite several. 1975.
41.
BadreddineMKhaldiMLegrouriA, et al.Chloride-hydrogenophosphate ion exchange into the zinc–aluminium–chloride layered double hydroxide. Mater Chem Phys1998; 52: 235–239.
42.
BadreddineMLegrouriABarrougA, et al.Ion exchange of different phosphate ions into the zinc–aluminium–chloride layered double hydroxide. Mater Lett1999; 38: 391–395.
43.
BadreddineMLegrouriABarrougA, et al.Influence of pH on phosphate intercalation in zinc-aluminum layered double hydroxide. Collect Czech Chem Commun1998; 63: 741–748.
44.
BonteEDeschampsNGoldbergM, et al.Quantification of free water in human dental enamel. J Dent Res1988; 67: 880–882. DOI: 10.1177/00220345880670051701.
45.
BachmannLGomesASZezellDM. Bound energy of water in hard dental tissues. Spectrosc Lett2004; 37: 565–579.
46.
DibdinG. The stability of water in human dental enamel studied by proton nuclear magnetic resonance. Arch Oral Biol1972; 17: 433–437.
47.
LeGerosRZBonelGLegrosR. Types of “H2O” in human enamel and in precipitated apatites. Calcif Tissue Res1978; 26: 111–118.
48.
LittleMFCascianiF. The nature of water in sound human enamel: a preliminary study. Arch Oral Biol1966; 11: 565–571.
49.
KolmasJ. Sharp feature at 6977 cm−1 for hydroxyapatite. 2023.
50.
LeeE-SWadhwaPKimM-K, et al.Organic matrix of enamel and dentin and developmental defects. Human tooth and developmental dental defects: Compositional and genetic implications. London, UK: IntechOpen, 2022, p. 3.
51.
LeBQNurcombeVCoolSM, et al.The components of bone and what they can teach us about regeneration. Materials2017; 11: 14.
52.
LindeA. Dentin matrix proteins: composition and possible functions in calcification. Anat Rec1989; 224: 154–166.
53.
OrsiniGRuggeriAJrMazzoniA, et al.A review of the nature, role, and function of dentin non‐collagenous proteins. Part 1: proteoglycans and glycoproteins. Endod Top2009; 21: 1–18.
54.
RobersonTHeymannHOSwiftEJJr. Sturdevant’s art and science of operative dentistry. Amsterdam, Netherlands: Elsevier Health Sciences, 2006.
55.
Ten CateJ. Chemical interactions between the tooth and oral fluids. Dental caries: the disease and its clinical management. Hoboken, NJ: John Wiley, 2003.
56.
DawesC. What is the critical pH and why does a tooth dissolve in acid?J Can Dent Assoc2003; 69: 722–724.
57.
LarsenM. Enamel/saliva-inorganic chemical reactions. Textbook of Cariology. St. Tarboro, NC: World Cat, 1986.
58.
RoySDasP. Thermodynamics and kinetics study of de-fluoridation in waste water using hydroxyapatite (Hap) as adsorbent: optimization using response surface methodology. Front Nanosci Nanotech2016; 2: 121–128. DOI: 10.15761/FNN.1000120.
59.
Abou NeelEAAljaboAStrangeA, et al.Demineralization--remineralization dynamics in teeth and bone. Int J Nanomed2016; 11: 4743–4763.
60.
CDC. Recommendations for using fluoride to prevent and control dental caries in the United States. In: Services USDoHaH (ed) Atlanta, Georgia: Centers for Disease Control and Prevention, 2001.
61.
YangQJiaCChenQ, et al.A NIR fluorescent probe for the detection of fluoride ions and its application in in vivo bioimaging. J Mater Chem B2017; 5: 2002–2009.
62.
NoceńI. [Comparative analysis of bone mineral composition in human archeological material taken from different regions of Poland]. Ann Acad Med Stetin1999; 45: 25–39.
63.
ZandonaAFLongbottomC. Detection and assessment of dental caries. Cham, Germany: Springer Nature Switzerland AG2019.
Jablonski-MomeniAJablonskiBLippeN. Clinical performance of the near-infrared imaging system VistaCam iX Proxi for detection of approximal enamel lesions. BDJ open2017; 3: 17012–17018.
67.
AngelinoKEdlundDAShahP. Near-infrared imaging for detecting caries and structural deformities in teeth. IEEE J Transl Eng Health Med2017; 5: 2300107.
68.
HayesCJWalshKBGreensillCV. Light-emitting diodes as light sources for spectroscopy: sensitivity to temperature. J Near Infrared Spectrosc2017; 25: 416–422.
AcklandBRaffertyCKingC, et al.A monolithic ge-on-si cmos imager for short wave infrared. In: International image densor workshop, Bergen, Norway, 26–28 June 2009.
SestiniG. Nile delta: a review of depositional environments and geological history. Geological Society, London, Special Publications1989; 41: 99–127.
73.
ShanasNQueridoWDumontA, et al.Clinical application of near infrared fiber optic spectroscopy for noninvasive bone assessment. J Biophot2020; 13: e201960172.
74.
SavitzkyAGolayMJ. Smoothing and differentiation of data by simplified least squares procedures. Anal Chem1964; 36: 1627–1639.
75.
BarnesRDhanoaMSListerSJ. Standard normal variate transformation and de-trending of near-infrared diffuse reflectance spectra. Appl Spectrosc1989; 43: 772–777.
76.
DhanoaMListerSSandersonR, et al.The link between multiplicative scatter correction (MSC) and standard normal variate (SNV) transformations of NIR spectra. J Near Infrared Spectrosc1994; 2: 43–47.
77.
PowerAChapmanJChandraS, et al.Illuminating the flesh of bone identification–an application of near infrared spectroscopy. Vib Spectrosc2018; 98: 64–68.
78.
DonnellyE. Methods for assessing bone quality: a review. Clin Orthop Relat Res2011; 469: 2128–2138.
79.
FonsecaHMoreira-GonçalvesDCoriolanoH-JA, et al.Bone quality: the determinants of bone strength and fragility. Sports Med2014; 44: 37–53.
80.
SymesSADirkmaatDCOusleyS, et al.Recovery and interpretation of burned human remains. In: US Department of Justice (ed) Washington, DC: NCJRS, 2012.
81.
TsenkovaRMunćanJPollnerB, et al.Essentials of aquaphotomics and its chemometrics approaches. Front Chem2018; 6: 363.
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