Multimodal multiplex Raman spectroscopy optimized for in vivo chemometrics

S. T. McCain; M. E. Gehm; Y. Wang; N. P. Pitsianis; D. J. Brady

doi:10.1117/12.646755

Multimodal multiplex Raman spectroscopy optimized for in vivo chemometrics

S. T. McCain, M. E. Gehm, Y. Wang, N. P. Pitsianis, D. J. Brady

Research output: Contribution to journal › Conference article › peer-review

2 Scopus citations

Abstract

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.

Original language	English (US)
Article number	60930P
Journal	Progress in Biomedical Optics and Imaging - Proceedings of SPIE
Volume	6093
DOIs	https://doi.org/10.1117/12.646755
State	Published - 2006
Externally published	Yes
Event	Biomedical Vibrational Spectroscopy III: Advances in Research and Industry - San Jose, CA, United States Duration: Jan 21 2006 → Jan 24 2006

Keywords

Chemometrics
Multivariate Methods
Raman Spectroscopy
Tissue Spectroscopy

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Biomaterials
Atomic and Molecular Physics, and Optics
Radiology Nuclear Medicine and imaging

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10.1117/12.646755

Cite this

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title = "Multimodal multiplex Raman spectroscopy optimized for in vivo chemometrics",

abstract = "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.",

keywords = "Chemometrics, Multivariate Methods, Raman Spectroscopy, Tissue Spectroscopy",

author = "McCain, {S. T.} and Gehm, {M. E.} and Y. Wang and Pitsianis, {N. P.} and Brady, {D. J.}",

year = "2006",

doi = "10.1117/12.646755",

language = "English (US)",

volume = "6093",

journal = "Progress in Biomedical Optics and Imaging - Proceedings of SPIE",

issn = "1605-7422",

publisher = "SPIE",

note = "Biomedical Vibrational Spectroscopy III: Advances in Research and Industry ; Conference date: 21-01-2006 Through 24-01-2006",

}

TY - JOUR

T1 - Multimodal multiplex Raman spectroscopy optimized for in vivo chemometrics

AU - McCain, S. T.

AU - Gehm, M. E.

AU - Wang, Y.

AU - Pitsianis, N. P.

AU - Brady, D. J.

PY - 2006

Y1 - 2006

N2 - 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.

AB - 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.

KW - Chemometrics

KW - Multivariate Methods

KW - Raman Spectroscopy

KW - Tissue Spectroscopy

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U2 - 10.1117/12.646755

DO - 10.1117/12.646755

M3 - Conference article

AN - SCOPUS:33745305144

SN - 1605-7422

VL - 6093

JO - Progress in Biomedical Optics and Imaging - Proceedings of SPIE

JF - Progress in Biomedical Optics and Imaging - Proceedings of SPIE

M1 - 60930P

T2 - Biomedical Vibrational Spectroscopy III: Advances in Research and Industry

Y2 - 21 January 2006 through 24 January 2006

ER -

Multimodal multiplex Raman spectroscopy optimized for in vivo chemometrics

Abstract

Keywords

ASJC Scopus subject areas

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