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Record W4408667596 · doi:10.1021/acsomega.4c07990

Fast Screening of Tuberculosis Patients Based on Analysis of Plasma by Infrared Spectroscopy Coupled with Machine Learning Approaches

2025· article· en· W4408667596 on OpenAlexaff
Lin Mei, Hsiao‐Chi Lu, Hui‐Wen Lin, Sheng‐Wei Pan, Bing‐Ming Cheng, Ton-Rong Tseng, Jia-Yih Feng, Mei-Lin Ho

Bibliographic record

VenueACS Omega · 2025
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicSpectroscopy Techniques in Biomedical and Chemical Research
Canadian institutionsToronto Metropolitan University
Fundersnot available
KeywordsSpectroscopyTuberculosisInfraredInfrared spectroscopyPlasmaComputer scienceAnalytical Chemistry (journal)Materials scienceMedicinePhysicsChemistryOpticsNuclear physicsChromatographyPathologyAstronomy

Abstract

fetched live from OpenAlex

High Resolution Image Download MS PowerPoint Slide Prompt diagnosis of tuberculosis (TB) enables timely treatment, limiting spread and improving public health for this disease. Currently, a rapid, sensitive, accurate, and cost-effective detection of TB still remains a challenge. For this purpose, we engaged a transmission skill and an attenuated total reflectance (ATR) technique coupled with Fourier-transform infrared spectrometry (FTIR) to study the IR spectra of the plasma samples from TB patients ( n = 10) and healthy individuals ( n = 10). To ensure high-quality spectral data, spectra were collected in both transmission and ATR modes, with each measurement consisting of 256 scans at a resolution of 8 cm –1 . For the transmission mode, measurements were repeated five times per sample, while ATR-FTIR measurements were repeated three times per sample. These parameters were carefully optimized through rigorous testing to achieve the highest possible signal-to-noise ratio for patient sample analysis. Using this method, we obtained a total of 100 spectra from 20 samples in the transmission mode and 60 spectra in the ATR-FTIR mode, ensuring sufficient data for robust spectral analysis. Further, we applied machine learning techniques to analyze and classify the IR spectra; by this means, we differentiated those spectra between TB patients and healthy ones. In this work, we modified the transmission-FTIR setup to improve the absorption sensitivity by focusing the IR light on the interface of the sample; while, we used a high-refractive-index crystal ZnSe as a medium to reflect the signals in ATR scheme. Routinely, we compared the spectra obtained from both methods; in their second derivative curves, we notified that there had distinct spectral differences in protein and lipid regions (3500–3000, 2900–2800, and 1700–1500 cm –1 ) between TB and healthy groups. Using three machine learning classifiers─Logistic Regression (LR), Random Forest (RF), and XGBoost (Xg)─we found that the Xg achieved an accuracy of 0.749, precision of 0.703, recall of 0.901, F1 score of 0.790, and an AUC of the ROC curve of 0.82 for absorption spectra in the 3500–2700 cm –1 region; additionally, the machine learning practice showed that ATR data possessed performance parameters of ∼ 80% in accuracy. We randomly assigned participants (rather than individual scans) to 80% training and 20% test sets to train and validate three machine learning models (LR, RF, and Xg). Based on the results, we concluded that the absorption spectroscopic method demonstrated its superior performance in TB diagnosis. Thus, we have showed that absorption-FTIR spectroscopy is a valuable tool for sorting the TB disease from patients. The spectral IR analysis of plasmas can complement clinical evidence and provides a rapid and accurate diagnosis of TB in clinic.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.140
Threshold uncertainty score0.499

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.008
GPT teacher head0.261
Teacher spread0.253 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations9
Published2025
Admission routes1
Has abstractyes

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