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

衰减全反射 化学 傅里叶变换红外光谱 线性判别分析 光谱学 D-二聚体 傅里叶变换 主成分分析 分析化学(期刊) 红外光谱学 人工智能 内科学 色谱法 数学 光学 医学 物理 计算机科学 量子力学 数学分析 有机化学
作者
Bruna Brun,Márcia H.C. Nascimento,Pedro Augusto Costa Dias,Wena Dantas Marcarini,Maneesh N. Singh,Paulo R. Filgueiras,Paula Frizera Vassallo,Wanderson Romão,José Geraldo Mill,Francis L. Martin,Valério Garrone Baraúna
出处
期刊:Talanta [Elsevier BV]
卷期号:269: 125482-125482 被引量:3
标识
DOI:10.1016/j.talanta.2023.125482
摘要

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.

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