Antioxidant of Trans-Resveratrol: A Comparison between OH and CH Groups Based on Thermodynamic Views

Table 5

ROS and RNS attack on hydroxy groups of RSV in gas and water (calculated ΔG^# and K at the B3LYP/6-311++G(d, p) level of theory).

Radicals	No	ΔG^# (kcal/mol)	K (L/mol s)	ΔG^# (kcal/mol)	K (L/mol s)
		Water		Gas
HOO^•	4-OH	9.6	3.092 × 10^8	6.7	6.876 × 10^9
	11(13)-OH	13.6	4.523 × 10^6	9.5	3.640 × 10^8
CH3O^•	4-OH	6.0	1.237 × 10^10	2.6	4.350 × 10^11
	11(13)-OH	7.1	4.208 × 10^9	2.5	5.709 × 10^11
^•NO	4-OH	34.2	1.246 × 10^−3	32.7	5.464 × 10^−3
	11(13)-OH	39.2	5.595 × 10^−6	37.8	2.538 × 10^−5
^•NO2	4-OH	10.2	1.495 × 10^8	13.6	1.353 × 10^0
	11(13)-OH	11.0	6.456 × 10^7	17.0	3.793 × 10^−2