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. Author manuscript; available in PMC: 2018 Nov 16.
Published in final edited form as: J Environ Sci (China). 2017 May 9;58:224–230. doi: 10.1016/j.jes.2017.04.027

Table 1.

Summary of in silico reactivity parameters, in chemico RC50, and EC50 values for ARE signaling activity and Rad51 foci induction.

Compound ELUMO
(eV)
Softness
(eV)
Electrophilic
Index (eV)
RC50
(mM)
Rad51 EC50
(M)
ARE EC50
(M)
IAM −1.89 0.370 3.90 0.559 3.80 × 10−6 2.05 × 10−6
BAM −0.82 0.298 2.60 0.973 5.69 × 10−6 1.92 × 10−6
CAM −0.22 0.271 2.07 N/A 3.00 × 10−4 9.47 × 10−6