Table 1 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 | 921 (924) | ? | Membrane lipids (phospholipids) |
1092 | Stretching PO2 2 symmetric (phosphate II) Nasym(C–O–C) | (polysaccharides-cellulose) | |
2878 (2880) | Asymmetric stretch of –CH2 | Methylene | |
PLSC3 | 1299 | Deformation N–H | Cytosine |
1146 | C–O bond | Phosphate and oligosaccharides | |
2838 | Stretching C–H | Methoxy | |
PLSC4 | 1552 (1550) | CN stretch and NH bend | Amide I |
867 | ? | Left-handed helix DNA (Z form) | |
2941 | ? | ? |
