Cargando…

Bayesian Quantification for Coherent Anti-Stokes Raman Scattering Spectroscopy

[Image: see text] 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 measur...

Descripción completa

Detalles Bibliográficos
Autores principales: Härkönen, Teemu, Roininen, Lassi, Moores, Matthew T., Vartiainen, Erik M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2020
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7458428/
https://www.ncbi.nlm.nih.gov/pubmed/32673491
http://dx.doi.org/10.1021/acs.jpcb.0c04378
_version_ 1783576195142516736
author Härkönen, Teemu
Roininen, Lassi
Moores, Matthew T.
Vartiainen, Erik M.
author_facet Härkönen, Teemu
Roininen, Lassi
Moores, Matthew T.
Vartiainen, Erik M.
author_sort Härkönen, Teemu
collection PubMed
description [Image: see text] 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.
format Online
Article
Text
id pubmed-7458428
institution National Center for Biotechnology Information
language English
publishDate 2020
publisher American Chemical Society
record_format MEDLINE/PubMed
spelling pubmed-74584282020-09-01 Bayesian Quantification for Coherent Anti-Stokes Raman Scattering Spectroscopy Härkönen, Teemu Roininen, Lassi Moores, Matthew T. Vartiainen, Erik M. J Phys Chem B [Image: see text] 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. American Chemical Society 2020-07-16 2020-08-13 /pmc/articles/PMC7458428/ /pubmed/32673491 http://dx.doi.org/10.1021/acs.jpcb.0c04378 Text en Copyright © 2020 American Chemical Society This is an open access article published under a Creative Commons Attribution (CC-BY) License (http://pubs.acs.org/page/policy/authorchoice_ccby_termsofuse.html) , which permits unrestricted use, distribution and reproduction in any medium, provided the author and source are cited.
spellingShingle Härkönen, Teemu
Roininen, Lassi
Moores, Matthew T.
Vartiainen, Erik M.
Bayesian Quantification for Coherent Anti-Stokes Raman Scattering Spectroscopy
title Bayesian Quantification for Coherent Anti-Stokes Raman Scattering Spectroscopy
title_full Bayesian Quantification for Coherent Anti-Stokes Raman Scattering Spectroscopy
title_fullStr Bayesian Quantification for Coherent Anti-Stokes Raman Scattering Spectroscopy
title_full_unstemmed Bayesian Quantification for Coherent Anti-Stokes Raman Scattering Spectroscopy
title_short Bayesian Quantification for Coherent Anti-Stokes Raman Scattering Spectroscopy
title_sort bayesian quantification for coherent anti-stokes raman scattering spectroscopy
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7458428/
https://www.ncbi.nlm.nih.gov/pubmed/32673491
http://dx.doi.org/10.1021/acs.jpcb.0c04378
work_keys_str_mv AT harkonenteemu bayesianquantificationforcoherentantistokesramanscatteringspectroscopy
AT roininenlassi bayesianquantificationforcoherentantistokesramanscatteringspectroscopy
AT mooresmatthewt bayesianquantificationforcoherentantistokesramanscatteringspectroscopy
AT vartiainenerikm bayesianquantificationforcoherentantistokesramanscatteringspectroscopy