Salivary ATR-FTIR Spectroscopy Coupled with Support Vector Machine Classification for Screening of Type 2 Diabetes Mellitus.
Douglas Carvalho CaixetaMurillo Guimarães CarneiroRicardo RodriguesDeborah Cristina Teixeira AlvesLuiz Ricardo GoulartThúlio Marquez CunhaFoued Salmen EspindolaRui VitorinoRobinson Sabino SilvaPublished in: Diagnostics (Basel, Switzerland) (2023)
The blood diagnosis of diabetes mellitus (DM) is highly accurate; however, it is an invasive, high-cost, and painful procedure. In this context, the combination of ATR-FTIR spectroscopy and machine learning techniques in other biological samples has been used as an alternative tool to develop a non-invasive, fast, inexpensive, and label-free diagnostic or screening platform for several diseases, including DM. In this study, we used the ATR-FTIR tool associated with linear discriminant analysis (LDA) and a support vector machine (SVM) classifier in order to identify changes in salivary components to be used as alternative biomarkers for the diagnosis of type 2 DM. The band area values of 2962 cm -1 , 1641 cm -1 , and 1073 cm -1 were higher in type 2 diabetic patients than in non-diabetic subjects. The best classification of salivary infrared spectra was by SVM, showing a sensitivity of 93.3% (42/45), specificity of 74% (17/23), and accuracy of 87% between non-diabetic subjects and uncontrolled type 2 DM patients. The SHAP features of infrared spectra indicate the main salivary vibrational modes of lipids and proteins that are responsible for discriminating DM patients. In summary, these data highlight the potential of ATR-FTIR platforms coupled with machine learning as a reagent-free, non-invasive, and highly sensitive tool for screening and monitoring diabetic patients.
Keyphrases
- machine learning
- end stage renal disease
- deep learning
- chronic kidney disease
- newly diagnosed
- label free
- dna damage response
- ejection fraction
- high resolution
- glycemic control
- prognostic factors
- type diabetes
- density functional theory
- minimally invasive
- risk assessment
- molecular dynamics simulations
- skeletal muscle
- electronic health record
- adipose tissue
- fatty acid
- human health
- tandem mass spectrometry
- simultaneous determination
- structural basis