Biology Reference
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Table 1 Assignment of the modes of the neutral (a) and anionic (b) chromophore modes. The average frequency mode in the isolated chromophore and in the
protein (in italic) is reported in the first column. A description of the mode and the theoretical and experimental methods used are reported, together with other
information (measurement/calculation in the isolated/solvated chromophore or in the protein) and the references [ 4 , 9 , 13 , 35 - 40 ] for each mode
Mode frequency (cm 1 )
chromophore - protein
Mode description
Activity
Measurement in isolated
chromophore
Measurement
in protein
Assignment (theory)
(a) Neutral chromophore
~1,690
C ¼ O stretch
IR
[ 4 , 9 , 35 , 37 , 39 ]
[ 4 ]
[ 4 , 35 , 37 - 40 ]
1,643 - ~ 1,635
C
¼
C stretch
IR, R, RR
[ 4 , 9 , 35 - 37 ]
[ 4 , 36 ]
[ 4 , 35 , 37 - 40 ]
1,603 - ~ 1,595
Phenol
IR, R, RR
[ 4 , 9 , 35 - 37 ]
[ 4 , 36 ]
[ 4 , 35 , 37 , 40 ]
1,580 - 1 , 570
Phenol + C-O
IR
[ 4 , 35 , 37 ]
[ 4 , 36 ]
[ 4 , 35 , 37 , 40 ]
1,563 - 1 , 564
C
¼
N (+C
¼
C)
IR, R, RR
[ 4 , 9 , 35 - 37 , 39 ]
[ 4 , 36 ]
[ 4 , 35 , 37 , 39 , 40 ]
1,515
Phenol
IR, R
[ 9 , 35 - 37 ]
[ 36 ]
[ 35 , 37 ]
1,446
C-N + C-H def
IR, R, RR
[ 9 , 35 , 37 ]
[ 35 , 37 ]
1430 - 1 , 430
Phenol
IR
[ 35 ]
[ 35 ]
1,393
IR
[ 35 ]
1,371
IR
[ 35 ]
1,362
IR, R, RR
[ 4 , 9 , 35 ]
[ 4 ]
[ 4 ]
1,317
Phenol
R, RR
[ 4 , 9 , 35 , 37 ]
[ 4 ]
[ 4 , 37 ]
1,301
IR
[ 35 ]
1,290
R, RR
[ 9 , 35 ]
1,282
IR
[ 35 ]
1,277
IR
[ 35 ]
1,235
IR
[ 35 ]
1,230
Phenol
IR, R, RR
[ 4 , 9 , 35 , 37 ]
[ 4 ]
[ 4 , 37 ]
1,184
IR
[ 35 ]
1,175
Phenol + C-H def
IR, R, RR
[ 4 , 9 , 35 , 37 ]
[ 4 ]
[ 4 , 37 ]
1165 - 1 , 169
Imid C-C C-N
IR,RR, SERS
[ 9 , 13 , 35 ]
[ 13 ]
1,138
IR, R, RR, SERS
[ 9 , 13 , 35 ]
[ 13 ]
1,102 - 1 , 098
Imid C-C C-N
RR, SERS
[ 4 , 9 , 13 ]
[ 4 ]
[ 4 ]
1,030
Imid C-C C-N
IR, R, RR, SERS
[ 9 , 13 , 35 , 37 ]
[ 13 ]
[ 13 , 37 ]
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