Single-path supercontinuum laser spectroscopy combining MIR-ATR and NIR transmission
Publikation: Bidrag til bog/antologi/rapport › Konferencebidrag i proceedings › Forskning › fagfællebedømt
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Single-path supercontinuum laser spectroscopy combining MIR-ATR and NIR transmission. / Sonoiki, Doyinsola S.; Kwarkye, Kyei; Sørensen, Klavs M.; Engelsen, Søren B.; Bang, Ole; Petersen, Christian R.
Terahertz, RF, Millimeter, and Submillimeter-Wave Technology and Applications XVII. red. / Laurence P. Sadwick; Tianxin Yang. SPIE, 2024. 1288508 (Proceedings of SPIE - The International Society for Optical Engineering, Bind 12885).Publikation: Bidrag til bog/antologi/rapport › Konferencebidrag i proceedings › Forskning › fagfællebedømt
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TY - GEN
T1 - Single-path supercontinuum laser spectroscopy combining MIR-ATR and NIR transmission
AU - Sonoiki, Doyinsola S.
AU - Kwarkye, Kyei
AU - Sørensen, Klavs M.
AU - Engelsen, Søren B.
AU - Bang, Ole
AU - Petersen, Christian R.
N1 - Publisher Copyright: © 2024 SPIE.
PY - 2024
Y1 - 2024
N2 - The strong absorption of water in the mid-infrared (MIR) causes difficulties in performing combined near-infrared (NIR) and MIR spectroscopy on aqueous samples using a single instrument. Combining spectra from different instruments can result in unwanted spectral variations, which can influence the prediction models and mitigate the advantages of the combination approaches. In this work, absorption spectra were collected in the NIR (1300nm-2500nm) and MIR (2500nm-3800nm) region by combining a single high-brightness broadband supercontinuum (SC) laser spanning from ∼1-4.0 μm with attenuated total reflectance (ATR) and a transmission cuvette in a single-path configuration to provide a uniform spectral response across the NIR and MIR regions. The measured NIR- and MIR- spectra were assessed based on their ability to predict varying concentrations of ethanol, sucrose, and L-proline in aqueous solutions. The NIR-based partial least square regression (PLSR) model gave higher prediction accuracy for sucrose (R2 = 0.95) as compared to both ethanol and L-proline (R2 = 0.75 and R2 = 0.57 respectively). On the other hand, the MIR-based model enhances the prediction accuracy of ethanol (R2 = 1.00) and L-proline (R2 = 0.62) while demonstrating no significant change in prediction accuracy for sucrose (R2 = 0.96). The prediction models based on the combined NIR-MIR spectra performed similar but slightly worse than the MIR-only models for ethanol and L-proline (R2 = 0.97 and R2 = 0.54 respectively), while for sucrose, it was slightly improved (R2 = 0.99).
AB - The strong absorption of water in the mid-infrared (MIR) causes difficulties in performing combined near-infrared (NIR) and MIR spectroscopy on aqueous samples using a single instrument. Combining spectra from different instruments can result in unwanted spectral variations, which can influence the prediction models and mitigate the advantages of the combination approaches. In this work, absorption spectra were collected in the NIR (1300nm-2500nm) and MIR (2500nm-3800nm) region by combining a single high-brightness broadband supercontinuum (SC) laser spanning from ∼1-4.0 μm with attenuated total reflectance (ATR) and a transmission cuvette in a single-path configuration to provide a uniform spectral response across the NIR and MIR regions. The measured NIR- and MIR- spectra were assessed based on their ability to predict varying concentrations of ethanol, sucrose, and L-proline in aqueous solutions. The NIR-based partial least square regression (PLSR) model gave higher prediction accuracy for sucrose (R2 = 0.95) as compared to both ethanol and L-proline (R2 = 0.75 and R2 = 0.57 respectively). On the other hand, the MIR-based model enhances the prediction accuracy of ethanol (R2 = 1.00) and L-proline (R2 = 0.62) while demonstrating no significant change in prediction accuracy for sucrose (R2 = 0.96). The prediction models based on the combined NIR-MIR spectra performed similar but slightly worse than the MIR-only models for ethanol and L-proline (R2 = 0.97 and R2 = 0.54 respectively), while for sucrose, it was slightly improved (R2 = 0.99).
KW - aqueous solution
KW - ATR
KW - MIR
KW - NIR
KW - PLSR
KW - single-path
KW - spectroscopy
KW - Supercontinuum
U2 - 10.1117/12.3000302
DO - 10.1117/12.3000302
M3 - Article in proceedings
AN - SCOPUS:85191516983
T3 - Proceedings of SPIE - The International Society for Optical Engineering
BT - Terahertz, RF, Millimeter, and Submillimeter-Wave Technology and Applications XVII
A2 - Sadwick, Laurence P.
A2 - Yang, Tianxin
PB - SPIE
T2 - Terahertz, RF, Millimeter, and Submillimeter-Wave Technology and Applications XVII 2024
Y2 - 29 January 2024 through 1 February 2024
ER -
ID: 392990421