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Bayesian Quantification for Coherent Anti-Stokes Raman Scattering Spectroscopy

Journal Article


Abstract


  • We propose a Bayesian statistical model for analyzing coherent anti-Stokes Raman scattering (CARS) spectra. Our quantitative analysis includes statistical estimation of constituent line-shape parameters, the underlying Raman signal, the error-corrected CARS spectrum, and the measured CARS spectrum. As such, this work enables extensive uncertainty quantification in the context of CARS spectroscopy. Furthermore, we present an unsupervised method for improving spectral resolution of Raman-like spectra requiring little to no a priori information. Finally, the recently proposed wavelet prism method for correcting the experimental artifacts in CARS is enhanced by using interpolation techniques for wavelets. The method is validated using CARS spectra of adenosine mono-, di-, and triphosphate in water, as well as equimolar aqueous solutions of d-fructose, d-glucose, and their disaccharide combination sucrose.

Publication Date


  • 2020

Citation


  • Härkönen, T., Roininen, L., Moores, M. T., & Vartiainen, E. M. (2020). Bayesian Quantification for Coherent Anti-Stokes Raman Scattering Spectroscopy. Journal of Physical Chemistry B, 124(32), 7005-7012. doi:10.1021/acs.jpcb.0c04378

Scopus Eid


  • 2-s2.0-85089615513

Start Page


  • 7005

End Page


  • 7012

Volume


  • 124

Issue


  • 32

Abstract


  • We propose a Bayesian statistical model for analyzing coherent anti-Stokes Raman scattering (CARS) spectra. Our quantitative analysis includes statistical estimation of constituent line-shape parameters, the underlying Raman signal, the error-corrected CARS spectrum, and the measured CARS spectrum. As such, this work enables extensive uncertainty quantification in the context of CARS spectroscopy. Furthermore, we present an unsupervised method for improving spectral resolution of Raman-like spectra requiring little to no a priori information. Finally, the recently proposed wavelet prism method for correcting the experimental artifacts in CARS is enhanced by using interpolation techniques for wavelets. The method is validated using CARS spectra of adenosine mono-, di-, and triphosphate in water, as well as equimolar aqueous solutions of d-fructose, d-glucose, and their disaccharide combination sucrose.

Publication Date


  • 2020

Citation


  • Härkönen, T., Roininen, L., Moores, M. T., & Vartiainen, E. M. (2020). Bayesian Quantification for Coherent Anti-Stokes Raman Scattering Spectroscopy. Journal of Physical Chemistry B, 124(32), 7005-7012. doi:10.1021/acs.jpcb.0c04378

Scopus Eid


  • 2-s2.0-85089615513

Start Page


  • 7005

End Page


  • 7012

Volume


  • 124

Issue


  • 32