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Rapid analysis of disease state in liquid human serum combining infrared spectroscopy and "digital drying".

Alexandra SalaKatie E SpaldingKatherine M AshtonRuth BoardHolly J ButlerTimothy P DawsonDean A HarrisCaryn S HughesCerys A JenkinsMichael D JenkinsonDavid S PalmerBenjamin R SmithCatherine A ThorntonMatthew J Baker
Published in: Journal of biophotonics (2020)
In recent years, the diagnosis of brain tumors has been investigated with attenuated total reflection-Fourier transform infrared (ATR-FTIR) spectroscopy on dried human serum samples to eliminate spectral interferences of the water component, with promising results. This research evaluates ATR-FTIR on both liquid and air-dried samples to investigate "digital drying" as an alternative approach for the analysis of spectra obtained from liquid samples. Digital drying approaches, consisting of water subtraction and least-squares method, have demonstrated a greater random forest (RF) classification performance than the air-dried spectra approach when discriminating cancer vs control samples, reaching sensitivity values higher than 93.0% and specificity values higher than 83.0%. Moreover, quantum cascade laser infrared (QCL-IR) based spectroscopic imaging is utilized on liquid samples to assess the implications of a deep-penetration light source on disease classification. The RF classification of QCL-IR data has provided sensitivity and specificity amounting to 85.1% and 75.3% respectively.
Keyphrases
  • machine learning
  • deep learning
  • ionic liquid
  • high resolution
  • climate change
  • molecular docking
  • papillary thyroid
  • density functional theory
  • big data
  • single molecule
  • dna damage
  • optical coherence tomography
  • high speed