Table 2 Main vibrational modes present in the fingerprint region between 650–1800 cm−1 and the high wavenumber region between 2800–3000 cm−1 of the PLS loading spectra of PLSC2, PLSC3 and PLSC4 for the analysis of the LIQUID 1 dataset (according to Movasaghi et al.21 and Naseer et al.22).
From: Rapid diagnosis of COVID-19 using FT-IR ATR spectroscopy and machine learning
Wavenumber (cm−1) | Vibrational mode | Structural component | |
|---|---|---|---|
PLSC2 | 896 | ? | ? |
1359 (58) | Stretching C–O, deformation C–H, deformation N–H | ? | |
2820 | –CH2 and –CH3 | Lipids | |
PLSC3 | 1442 | d(CH2) | Lipids, fatty acids (polysaccharides, pectin) |
1524 | vCN, vCC proteins, tyrosine | Amide II | |
2913 | ? | ? | |
PLSC4 | 1088 | Stretching PO2 2 symmetric vibration) in B-form DNA | Phosphate I |
1497 | C=C, deformation C–H | Proteins | |
2855 | Asymmetric CH2 stretching mode of the methylene chains in membrane lipids | Lipids |
