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. Author manuscript; available in PMC: 2016 Jul 1.
Published in final edited form as: J Biophotonics. 2014 Sep 25;8(7):584–596. doi: 10.1002/jbio.201400060

Table 6.

A tentative assignment of the most important regions in the Raman spectrum of blood serum for the discrimination between AD and OD, as determined by the genetic algorithm (GA).

# GA spectral region (cm−1) Peak position ( cm−1) +/− 5 Tentative band assignment [22, 23, 27, 55] Contributions [22, 23, 27, 56, 57]
1 410-672 415, 419, 455, 477, 509, 519, 526 545, 567, 585, 605, 621, 643, 662 υ(C-C), υ(C-S) aliphatic chains δ(C-C) aliphatic chains Proteins (amino acids: histidine, tryptophan, proline, lysine, glycine); lipids (fatty acids, triglycerides); carbohydrates (fructose, lactose, citric acid, galactosamine, N-acetyl-glucosamine); riboflavin; phosphatidylinositol; phosphoenolpyruvate
2 710-784 718, 744, 757 υ(C-S) aliphatic chains υ(N+(CH3)3) υ(C-C-N+) Proteins (amino acids: valine, glutamate, phenylalanine, tryptophan); phospholipids; phosphatidylcholine; phosphoenolpyruvate; acetoacetate; coenzyme A; acetyl coenzyme A; D-fructose-6-phosphate; riboflavin; glutathione
3 973-1010 1003 υ(C-C), υ(C-O), Aromatics ring breathing vibration Proteins (amino acids: phenylalanine, lysine, glutamate); carbohydrates (fructose, lactose, galactosamine, N-acetyl-glucosamine); acetoacetate
4. 1086-1122 1083, 1104, 1126 υ(C-C), (O-P-O), υ( C-O-C), υ(C-S) aromatic Proteins (phenylalanine, glycine, valine, glutamate, arginine, histidine, proline); carbohydrates (β glucose, galactosamine, N-acetyl-glucosamine); acetyl coenzyme A; acetoacetate; D-fructose-6-phosphate; phosphoenolpyruvate; phospholipids
5 1199-1235 1207,1235 υ(C-C), υ(C-H), υ(C=S), (CH2) wagging vibrations Proteins (β sheet, Amid III, tryptophan, tyrosine, phenylalanine, glycine, proline); pyruvate
6 1311-1348 1317, 1338 υ(C-(NO2)), υ(C-(SO2)-C) Proteins (phenylalanine, tryptophan, glycine, valine, serine, glutamate, histidine, proline, lysine, adenine, α helix); carbohydrates (lactose, N-acetyl-glucosamine); phosphoenolpyruvate; glutathione; phospholipids
7 1424-1498 1448 δ(CH2), δ(CH2OH), δ(CH3), υ(C-C) Proteins (amino acids: valine, lysine, phenylalanine, tryptophan, proline); fatty acids; carbohydrates (fructose, galactosamine); phosphoenolpyruvate; acetoacetate; β-carotene; glutathione
8 1537-1611 1553, 1586 υ(N=N), υ(C=C), υ(C-(NO2)) NH3+ Guanine; tryptophan; proline; lysine; palmitic acid; N-acetyl-glucosamine
9 1649-1800 1657 υ(C=C), υ(C=O) Proteins; amide I; α helix; phospholipids
υ

stretching mode;

δ

bending mode;