“…The simulated biomolecules together their Raman bands identified in the literature were glutamine (776, 1056.50, 1133, 1225.50, 1330, 1357, 1417, and 1732.20 cm À1 ), [42,43] glycine (875.00 and 1699 cm À1 ), [42][43][44][45] hydroxyproline (208, 320, 369, 964, 1083, 1226, 1272, 1302, 1372, and 1420 cm À1 ) [46,47] proline (438, 455, 580, 915, 986, 1171, 1191, and 1457 cm À1 ), [47,48] and tryptophan (432, 540, 579, 622, 706, 760, 1008, 1015, 1118, 1440, and 1614 cm À1 ), [49][50][51] which are of great importance because they interact with the tooth surface, modulating bacterial adhesion as well as the deposition of calcium and phosphate crystals in the enamel matrix. [52,53] The simulation of the biomarker ALT, which is considered a cytoplasmic enzyme typically found in human blood plasma, bile, cerebrospinal fluid, and saliva, was also carried out. [54] Figure S5 shows these simulations.…”