A New Quinone Based Fluorescent Probe for High Sensitive and Selective Detection of Biothiols and Its Application in Living Cell Imaging

Table 2

Distribution of atomic NBO charge before and after the interaction of Cys and DDQ.

The atom of Cys	The charge of atom of Cys before interaction	The charge of atom of Cys after interaction	Difference	The atom of DDQ	The charge of atom of DDQ before interaction	The charge of atom of DDQ after interaction	Difference
N1	-0.935	-0.932	0.003	C1	-0.123	-0.124	-0.001
H2	0.422	0.425	0.003	C2	-0.123	-0.122	0.001
C3	-0.210	-0.208	0.002	C3	0.488	0.475	-0.013
H4	0.275	0.280	0.005	C4	-0.106	-0.118	-0.012
C5	-0.630	-0.630	0.000	C5	-0.106	-0.140	-0.034
C6	0.774	0.774	0.000	C6	0.488	0.478	-0.010
H7	0.287	0.292	0.005	O7	-0.448	-0.472	-0.024
H8	0.288	0.295	0.007	O8	-0.448	-0.472	-0.024
S9	-0.095	0.030	0.125	Cl9	0.149	0.139	-0.010
O10	-0.613	-0.606	0.007	Cl10	0.149	0.134	-0.015
H11	0.174	0.192	0.018	C11	0.279	0.281	0.002
O12	-0.685	-0.685	0.000	N12	-0.239	-0.257	-0.018
H13	0.532	0.534	0.002	C13	0.279	0.283	0.004
H14	0.416	0.419	0.003	N14	-0.239	-0.265	-0.026
Total	0.000	0.180	0.180		0.000	-0.180	-0.180