Abstract
A systematic investigation, based on highly spectrally resolved Raman spectroscopy, was undertaken to research the efficacy of vibrational assessments in locating chemical and crystallographic fingerprints for the characterization of dental caries and the early detection of non-cavitated carious lesions. Raman results published by other authors have indicated possible approaches for this method. However, they conspicuously lacked physical insight at the molecular scale and, thus, the rigor necessary to prove the efficacy of this spectroscopy method. After solving basic physical challenges in a companion paper, we apply them here in the form of newly developed Raman algorithms for practical dental research. Relevant differences in mineral crystallite (average) orientation and texture distribution were revealed for diseased enamel at different stages compared with healthy mineralized enamel. Clear spectroscopy features could be directly translated in terms of a rigorous and quantitative classification of crystallography and chemical characteristics of diseased enamel structures. The Raman procedure enabled us to trace back otherwise invisible characteristics in early caries, in the translucent zone (i.e., the advancing front of the disease) and in the body of lesion of cavitated caries.
Similar content being viewed by others
References
Murdoch-Kinch C, McLean M (2003) Minimally invasive dentistry. J Am Dent Assoc 134:87–95
Bader J, Shugars D, Bonito A (2002) A systematic review of the performance of methods for identifying carious lesions. J Public Health Dent 62:201–213
Schmuck BD, Carey CM (2010) Improved contact X-ray microradiographic method to measure mineral density of hard dental tissues. J Res Natl Inst Stand Technol 115:75–83
Schneiderman A, Elbaum M, Schultz T, Keem S, Greenebaum M, Driller J (1997) Assessment of dental caries with digital imaging fiber-optic transillumination (DIFOTITM): in vitro study. Caries Res 31:103–110
Lussi A, Megert B, Longbottom C, Reich E, Francescut P (2001) Clinical performance of a laser fluorescence device for detection of occlusal caries lesions. Eur J Oral Sci 109:14–19
Ekstrand KR, Ricketts DNJ, Kidd EAM (1997) Reproducibility and accuracy of three methods for assessment of demineralization depth on the occlusal surface: an in vitro examination. Caries Res 31:224–231
Bader J, Shugars D, Bonito A (2001) A systematic review of selected caries prevention and management methods. Comm Dent Oral Epidemiol 29:399–411
Chai H, Lee JJ, Constantino PJ, Lucas PW, Lawn BR (2009) Remarkable resilience of teeth. Proc Natl Acad Sci 106:7289–7293
Martin L (1985) Significance of enamel thickness in hominoid evolution. Nature 314:260–263
Al-Jawad M, Addison O, Khan MA, James A, Hendriksz CJ (2012) Disruption of enamel crystal formation quantified by synchrotron microdiffraction. J Dent 40:1074–1080
Ko AC-T, Choo-Smith L-P, Hewko M, Sowa MG, Dong CCS, Cleghorn B (2006) Detection of early dental caries using polarized Raman spectroscopy. Opt Express 14:203–215
Pezzotti G, Zhu W, Boffelli M, Adachi T, Ichioka H, Yamamoto T, Marunaka Y, Kanamura N (2015) Vibrational algorithms for quantitative crystallographic analyses of hydroxyapatite-based biomaterials:I, Theoretical foundations. Anal Bioanal Chem doi:10.1007/s00216-015-8472-1
MATHEMATICA 70, Wolfram Research, Inc (Champaign, IL, USA)
Krasse B (1988) Biological factors as indicators of future caries. Int Dent J 38:219–225
Zero DT (1995) In situ caries models. Adv Dent Res 9:214–230
Ten Cate JM, Duijsters PP (1982) Alternating demineralisation and remineralisation of artificial enamel lesions. Caries Res 16:201–210
Featherstone JDB (1999) Prevention and reversal of dental caries: role of low level fluoride. Comm Dent Oral Epidemiol 27:31–40
Dawes C (2003) What is the critical pH and why does a tooth dissolve in acid? J Can Dent Assoc 69:722–724
Cury JA, Andaló Tenuta LM (2009) Enamel remineralization: controlling the caries disease or treating early caries lesions? Braz Oral Res 23:23–30
Edgar WM, Higham SM (1995) Role of saliva in caries models. Adv Dent Res 9:235–238
Featherstone JDB (2004) The continuum of dental caries – Evidence for a dynamic disease process. J Dent Res 83:C39–C42
Robinson C, Shore RC, Brookes SJ, Strafford S, Wood SR, Kirkham J (2000) The chemistry of enamel caries. Crit Rev Oral Biol Med 11:481–495
Robinson C, Weatherell IA, Hallsworth AS (1983) Alterations in the composition of permanent human enamel during carious attack. In: Leach SA, Edgar WM (eds) Demineralisation and remineralisation of the teeth. IRL Press, Oxford, UK, p 209
Tsuda H, Arends J (1994) Orientational micro-Raman spectroscopy on hydroxyapatite single crystals and human enamel crystallites. J Dent Res 73:1703–1710
Calderín L, Dunfield D, Stott MJ (2005) Shell-model study of the lattice dynamics of hydroxyapatite. Phys Rev B 72:224304-1-12
Pedone A, Corno M, Civalleri B, Malavasi G, Menziani MC, Segre U, Ugliengo P (2007) An ab initio parameterized interatomic force field for hydroxyapatite. J Mater Chem 17:2061–2068
Rulis P, Ouyang L, Ching WY (2004) Electronic structure and bonding in calcium apatite crystals: Hydroxyapatite, fluorapatite, chlorapatite, and bromapatite. Phys Rev B 70:155104-1-8
Elliott SR (1990) Physics of Amorphous Materials. Longman Scientific & Technical, Harlow, Essex, UK
Kittel C (1986) Introduction to Solid State Physics. Wiley & Sons, New York, US
Corno M, Busco C, Civalleri B, Ugliengo P (2006) Periodic ab initio study of structural and vibrational features of hexagonal hydroxyapatite Ca10(PO4)6(OH)2. Phys Chem Chem Phys 8:2464–2472
Rey C, Shimizu M, Collins B, Glimcher MJ (1990) Resolution-enhanced Fourier transform infrared spectroscopy study of the environment of phosphate ions in the early deposit of a solid phase of calcium-phosphate in bone and enamel, and their evolution with age: I. Investigations in the v 4 PO4 3− domain. Calcif Tissue Int 46:384–394
Shemesh A (1990) Crystallinity and diagenesis of sedimentary apatite. Geochim Cosmochim Acta 54:2433–2438
Weiner Sand S, Bar-Yosef O (1990) States of preservation of bones from prehistoric sites in the Near East: a survey. J Archaeol Sci 17:187–196
Michel V, Ildefonse P, Morin G (1995) Chemical and structural changes in Cervus elaphus tooth enamels during fossilization (Lazaret cave): a combined IR and XRD Rietveld analysis. Appl Geochem 10:145–159
Michel V, Ildefonse P, Morin G (1996) Assessment of archaeological bone and dentine preservation from Lazaret Cave (Middle Pleistocene) in France. Palaeogeogr Palaeoclimatol Palaeoecol 126:109–119
Surovell TA, Stiner MC (2001) Standardizing infrared measures of bone mineral crystallinity: an experimental approach. J Archaeol Sci 28:633–642
Pucéat E, Reynard B, Lécuyer C (2004) Can crystallinity be used to determine the degree of chemical alteration of biogenic apatites? Chem Geol 205:83–97
Balan E, Delattre S, Roche D, Segalen L, Morin G, Guillaumet M, Blanchard M, Lazzeri M, Brouder C, Salje EKH (2011) Line broadening effects in the powder infrared spectrum of apatite. Phys Chem Minerals 38:111–122
Möller J, Poulsen S (1973) A standardized system for diagnosing recording and analyzing dental caries data. Scand J Dent Res 81:1–11
Gröndah HG, Hollender L, Malmcrona E, Sundquist B (1977) Dental caries and restorations in teenagers I Index and score system for radiographic studies of proximal surfaces. Swed Dent J 1:45–50
Liu J, Glasmacher UA, Lang M, Trautmann C, Voss KO, Neumann R, Wagner GA, Miletich R (2008) Appl Phys A 91:17–22
Miro S, Costantini JM, Bardeau JF, Chateigner D, Suder F, Balanzat E (2011) Raman spectroscopy study of damage induced in fluorapatite by swift heavy ion irradiations. J Raman Spectrosc 42:2036–2041
Gadelmawla ES, Koura MM, Maksoud TMA, Elewa IM, Soliman HH (2002) Roughness parameters. J Mater Proc Technol 123:133–145
Lan K, Jorgenson JW (2001) A hybrid of exponential and Gaussian functions as a simple model of asymmetric chromatographic peaks. J Chromatogr A 915:1–13
Author information
Authors and Affiliations
Corresponding author
Electronic supplementary material
Below is the link to the electronic supplementary material.
ESM 1
(PDF 203 kb)
Rights and permissions
About this article
Cite this article
Adachi, T., Pezzotti, G., Yamamoto, T. et al. Vibrational algorithms for quantitative crystallographic analyses of hydroxyapatite-based biomaterials: II, application to decayed human teeth. Anal Bioanal Chem 407, 3343–3356 (2015). https://doi.org/10.1007/s00216-015-8539-z
Received:
Revised:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1007/s00216-015-8539-z