. Author manuscript; available in PMC: 2019 Dec 25.

Published in final edited form as: Chem Biol Interact. 2018 Oct 1;296:117–123. doi: 10.1016/j.cbi.2018.09.020

Table 2. Softness, Electrophilicity and IC₅₀ Values for Quinone and α β -Unsaturated Carbonyl Derivatives.

Softness (σ) and electrophilicity (ω) for the selected compounds were calculated as described in the Materials and Methods section. The respective IC₅₀ values represent in vitro electrophile concentrations that produce 50% thiol loss and reflect the relative electrophilic potency of each chemical (Geohagen et al., 2016). Abbreviations: NAPQI - N-acetyl-p-benzoquinone imine; pBQ, benzoquinone; NEM – N-ethylmaleimide.

Electrophile	σ (×10³ ev⁻¹)	ω(ev)	IC₅₀ (μM)

NAPQI	500	6.83	8.4
pBQ	524	7.78	11.6
NEM	410	5.10	17.2
Acrolein	379	3.57	52.5
Acrylamide	346	2.62	436,515

Table 2. Softness, Electrophilicity and IC50 Values for Quinone and α β -Unsaturated Carbonyl Derivatives.

Table 2. Softness, Electrophilicity and IC₅₀ Values for Quinone and α β -Unsaturated Carbonyl Derivatives.