Plasma infrared fingerprinting with machine learning enables single-measurement multi-phenotype health screening.

Journal: Cell reports. Medicine
PMID:

Abstract

Infrared spectroscopy is a powerful technique for probing the molecular profiles of complex biofluids, offering a promising avenue for high-throughput in vitro diagnostics. While several studies showcased its potential in detecting health conditions, a large-scale analysis of a naturally heterogeneous potential patient population has not been attempted. Using a population-based cohort, here we analyze 5,184 blood plasma samples from 3,169 individuals using Fourier transform infrared (FTIR) spectroscopy. Applying a multi-task classification to distinguish between dyslipidemia, hypertension, prediabetes, type 2 diabetes, and healthy states, we find that the approach can accurately single out healthy individuals and characterize chronic multimorbid states. We further identify the capacity to forecast the development of metabolic syndrome years in advance of onset. Dataset-independent testing confirms the robustness of infrared signatures against variations in sample handling, storage time, and measurement regimes. This study provides the framework that establishes infrared molecular fingerprinting as an efficient modality for populational health diagnostics.

Authors

  • Tarek Eissa
    Department of Laser Physics, Ludwig Maximilian University of Munich (LMU), Garching, Germany; Laboratory for Attosecond Physics, Max Planck Institute of Quantum Optics (MPQ), Garching, Germany; School of Computation, Information and Technology, Technical University of Munich (TUM), Garching, Germany. Electronic address: tarek.eissa@mpq.mpg.de.
  • Cristina Leonardo
    Department of Laser Physics, Ludwig Maximilian University of Munich (LMU), Garching, Germany.
  • Kosmas V Kepesidis
    Department of Laser Physics, Ludwig Maximilian University of Munich (LMU), Garching, Germany; Laboratory for Attosecond Physics, Max Planck Institute of Quantum Optics (MPQ), Garching, Germany; Center for Molecular Fingerprinting (CMF), Budapest, Hungary.
  • Frank Fleischmann
    Department of Laser Physics, Ludwig Maximilian University of Munich (LMU), Garching, Germany; Laboratory for Attosecond Physics, Max Planck Institute of Quantum Optics (MPQ), Garching, Germany.
  • Birgit Linkohr
    Institute of Epidemiology II, Helmholtz Zentrum München-German Research Center for Environmental Health, Neuherberg, Germany.
  • Daniel Meyer
    Laboratory for Attosecond Physics, Max Planck Institute of Quantum Optics (MPQ), Garching, Germany; Center for Molecular Fingerprinting (CMF), Budapest, Hungary.
  • Viola Zoka
    Department of Laser Physics, Ludwig Maximilian University of Munich (LMU), Garching, Germany; Center for Molecular Fingerprinting (CMF), Budapest, Hungary.
  • Marinus Huber
    Department of Laser Physics, Ludwig Maximilian University of Munich (LMU), Garching, Germany; Laboratory for Attosecond Physics, Max Planck Institute of Quantum Optics (MPQ), Garching, Germany.
  • Liudmila Voronina
    Department of Laser Physics, Ludwig Maximilian University of Munich (LMU), Garching, Germany.
  • Lothar Richter
    School of Computation, Information and Technology, Technical University of Munich (TUM), Garching, Germany.
  • Annette Peters
    Institute of Epidemiology II, Helmholtz Zentrum München-German Research Center for Environmental Health, Neuherberg, Germany.
  • Mihaela Žigman
    Department of Laser Physics, Ludwig Maximilian University of Munich (LMU), Garching, Germany; Laboratory for Attosecond Physics, Max Planck Institute of Quantum Optics (MPQ), Garching, Germany. Electronic address: mihaela.zigman@mpq.mpg.de.