27 February 2006 Multimodal multiplex Raman spectroscopy optimized for in vivo chemometrics
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We have designed and constructed a multimodal multiplex Raman spectrometer which uses multi-wavelength excitation to better detect signals in the presence of fluorescence by taking advantage of the shift-variance of the Raman signal with respect to excitation frequency. Coupled with partial-least-squares (PLS) regression, the technique applied to ethanol estimation in a tissue phantom achieves root-mean-squared-cross-validation errors (RMSCVE) of 9.2 mmol/L with a model formed with 2 principal components, compared to a single wavelength data set with equivalent energy where 7 principal components were used to achieve an RMSCVE of 39.1 mmol/L.
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S. T. McCain, S. T. McCain, M. E. Gehm, M. E. Gehm, Y. Wang, Y. Wang, N. P. Pitsianis, N. P. Pitsianis, D. J. Brady, D. J. Brady, } "Multimodal multiplex Raman spectroscopy optimized for in vivo chemometrics", Proc. SPIE 6093, Biomedical Vibrational Spectroscopy III: Advances in Research and Industry, 60930P (27 February 2006); doi: 10.1117/12.646755; https://doi.org/10.1117/12.646755

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