Decomposition of in vivo spatially offset Raman spectroscopy data using multivariate analysis techniques

Abstract

The decomposition of spatially offset Raman spectra for complex multilayer systems, such as biological tissues, requires advanced techniques such as multivariate analyses. Often, in such situations, the decomposition methods can reach their limits of accuracy well before the limits imposed by signal-to-noise ratios. Consequently, more effective reconstruction methods could yield more accurate results with the same data set. In this study we process spatially offset Raman spectroscopy (SORS) data with three different multivariate techniques (band-target entropy minimization (BTEM), multivariate curve resolution and parallel factor analysis (PARAFAC)) and compare their performance when analysing a spectrally challenging plastic model system and an even more challenging problem, the analysis of human bone transcutaneously in vivo. For the in vivo measurements, PARAFAC's requirement of multidimensional orthogonal data is addressed by recording SORS spectra both at different spatial offsets and at different anatomical points, the latter providing added dimensionality through the variation of skin/soft tissue thickness.The BTEM and PARAFAC methods performed the best on the plastic system with the BTEM more faithfully reconstructing the major Raman bands and PARAFAC the smaller more heavily overlapped features. All three methods succeeded in reconstructing the bone spectrum from the transcutaneous data and gave good figures for the phosphate-to-carbonate ratio (within 2% of excised human tibia bone); the PARAFAC gave the most accurate figure for the mineral-to-collagen ratio (20% less than excised human tibia bone).Previous studies of excised bones have shown that certain bone diseases (such as osteoarthritis, osteoporosis and osteogenesis imperfecta) are accompanied by compositional abnormalities that can be detected with Raman spectroscopy, the utility of a technique which could reconstruct bone spectra accurately is manifest. The results have relevance on the use of SORS in general.

Functional adaptation of long bone extremities involves the localized “tuning” of the cortical bone composition; evidence from Raman spectroscopy

“…As spatially offset Raman spectroscopy is developed as a noninvasive tool for monitoring bone transcutaneously, it will be possible to explore these hypotheses in vivo. 25,36,51 The results of the biochemical analysis in Fig. 7(b) hint that the compositional adaptation of bone material within a long bone fits the same paradigm as that of specialized functionally adapted bones from different creatures (i.e., bulla, antler, etc.).…”

Bone Quality Assessment Techniques: Geometric, Compositional, and Mechanical Characterization from Macroscale to Nanoscale

“…Using spatially offset Raman spectroscopy (SORS), millimeter depths human tibial and finger tissue have been scanned [68]. A comprehensive analysis of the feasibility and promise of Raman in a clinical setting is described by Hanlon et al [69].…”

Contributions of Raman spectroscopy to the understanding of bone strength

“…27 Recently, the first in vivo human subject SORS has been reported. 29 The measurement site was the tibial plateau. Although validation by direct measurement of bone of the volunteer was impossible, the data agreed well with periosteal tibial Raman spectra from cadaveric tissue.…”