Fast screening using attenuated total reflectance- fourier transform infrared (ATR-FTIR) spectroscopy of patients based on D-dimer threshold value

Talanta. 2024 Mar 1:269:125482. doi: 10.1016/j.talanta.2023.125482. Epub 2023 Nov 28.

Abstract

Attenuated Total Reflectance-Fourier transform infrared (ATR-FTIR) spectroscopy is an emerging technology in the medical field. Blood D-dimer was initially studied as a marker of the activation of coagulation and fibrinolysis. It is mainly used as a potential diagnosis screening test for pulmonary embolism or deep vein thrombosis but was recently associated with COVID-19 severity. This study aimed to evaluate the use of ATR-FTIR spectroscopy with machine learning to classify plasma D-dimer concentrations. The plasma ATR-FTIR spectra from 100 patients were studied through principal component analysis (PCA) and two supervised approaches: genetic algorithm with linear discriminant analysis (GA-LDA) and partial least squares with linear discriminant (PLS-DA). The spectra were truncated to the fingerprint region (1800-1000 cm-1). The GA-LDA method effectively classified patients according to D-dimer cutoff (≤0.5 μg/mL and >0.5 μg/mL) with 87.5 % specificity and 100 % sensitivity on the training set, and 85.7 % specificity, and 95.6 % sensitivity on the test set. Thus, we demonstrate that ATR-FTIR spectroscopy might be an important additional tool for classifying patients according to D-dimer values. ATR-FTIR spectral analyses associated with clinical evidence can contribute to a faster and more accurate medical diagnosis, reduce patient morbidity, and save resources and demand for professionals.

Keywords: ATR-FTIR; Blood clot; D-dimer; FTIR spectroscopy; Machine learning; Plasma.

MeSH terms

  • Ataxia Telangiectasia Mutated Proteins
  • Discriminant Analysis
  • Fourier Analysis
  • Humans
  • Principal Component Analysis
  • Spectroscopy, Fourier Transform Infrared* / methods

Substances

  • fibrin fragment D
  • ATR protein, human
  • Ataxia Telangiectasia Mutated Proteins