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. Author manuscript; available in PMC: 2012 Sep 4.
Published in final edited form as: Anal Chem. 2011 May 9;83(11):4137–4146. doi: 10.1021/ac2001498

Table 2.

Band assignments for bacterial injury from diallyl sulfide and garlic extract

Bacteria Antimicrobials Cellular Structures Affected FTIR Band Assignment Raman Band Assignment
Proteins amide I of α-helical structure 1655 cm−1 S-S disulfide stretch in proteins 524 cm−1
amide II 1545 cm−1 v(S-S) trans-gauche-trans (amino acid cysteine) 540 cm−1
sym bending modes of methyl groups in skeletal proteins 1455 cm−1 C-C twist aromatic ring 620 cm−1
asym CH3 bending of the methyl groups of proteins 1449 cm−1 C-S stretch mode of cysteine 662 cm−1
sym CH3 bending modes of the methyl groups of proteins 1401 cm−1 v(C-S) trans (amino acid cysteine) 700 cm−1
sym breathing of tryptophan 756 cm−1
Diallyl sulfide phenylalanine 1008 cm−1
tyrosine 1373 cm−1
E. coli O157:H7 phenylalanine 1582 cm−1

Lipids CH2 scissoring mode of the acyl chain of lipids 1465 cm−1 phosphatidylinositol 596 cm−1
sym stretch of phosphate groups in phospholipids 1224 cm−1 phospholipid 1130 cm−1
sym phosphate stretching mode of phosphodiesters 1080 cm−1
phosphodiester 916 cm−1

Nucleic acids asym phosphate stretch from phosphodiester groups of cellular nucleic acids 1241 cm−1 ND
C-O ribose and C-C 994 cm−1

Phenolics Proteins C-O stretch mode of C-OH groups of serine, threonine, and tyrosine 1164 cm−1 ND
amide III 1309 cm−1

amide I of α-helical structure 1655 cm−1 S-S disulfide stretch 509 cm−1
Proteins amide I of β-sheet structures 1637 cm−1 v(S-S) trans-gauche-trans (amino acid cysteine) 540 cm−1
Diallyl sulfide amide II 1545 cm−1 C-S stretch of proteins 640 cm−1

Lipids phosphodiester 916 cm−1 ND

Nucleic acids asym phosphate stretch from phosphodiester groups of cellular nucleic acids 1241 cm−1 ND

L. monocytogenes Proteins amide III 1309 cm−1
sym CH3 bending modes of methyl groups of proteins 1401 cm−1 ND

Phenolics Lipids ND C=O stretch 1762 cm−1

Polysaccharides ND saccharide 1113 cm−1
ring structures 1416 cm−1
*

note: sym: symmetric; asym: antisymmetric; ND: non detected