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. 2021 Jan 8;11(1):42. doi: 10.3390/metabo11010042

Table 3.

The results of partial least squares (PLS) analysis on the wavenumbers, functional group, and vibration mode contribute to the antioxidant and α-glucosidase inhibitory activities.

In Vitro Assay Peak Code Wavenumber (cm−1) Functional Group Vibration Mode
Antioxidant activity A 3606.638 O–H Stretching
B 2945.009 C–H Stretching
C 2370.352 O=C=O, N–H Stretching
D 2345.2 O=C=O Stretching
E 1681.812 C=O Stretching
F 1527.517 C=C (aromatic) Stretching
G 1471.584 O–H Bending
H 1417.582 –C–H (CH3) Bending
I 1384.795 C–O Bending
J 1267.145 C–O (OH, COOH) Bending
K 1162.996 C–C Bending
L 1108.993 C–O Stretching (aliphatic of ether)
M 1083.92 C–O Stretching (secondary alcohol)
N 933.483 –C–H (alkene) Bending (trans disubtituen)
O 875.622 –C–H (aromatic) Bending
P 821.619 –C–H (aromatic) Bending (trisubtituen)
Q 784.974 C–Cl Bending
R 669.253 C–X (halogen) Halogen and aromatic disubtituen
α-glucosidase inhibitory activity A 3170.755 O–H Stretching
B 2916.169 C–H Stretching
C 2869.881 C–H Stretching
D 2842.879 C–H Stretching
E 2352.994 O=C=O Stretching
F 2318.277 N–H, O–H, S–H Streching
G 1737.744 C=O Stretching
H 1616.237 N–H (NH2) Bending
C=C (alkene) Stretching
I 1591.164 C=C (aromatic) Streching
J 1496.658 C=N, N=O Bending
C=C (alkene) Stretching
K 1448.441 –C–H (–CH3) Bending
L 1251.715 C–O Stretching
M 1220.857 C–O Stretching
N 1024.131 C–N Stretching
O 975.914 C–H Bending
P 914.196 C–N Bending
Q 811.976 C–H Bending
R 775.437 C–Cl Stretching
S 665.396 C–X (halogen) Halogen and aromatic disubtituen