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. 2019 Jul 13;8(7):222. doi: 10.3390/antiox8070222

Table 2.

Thermodynamic parameters of pBeets and mepBeets for the three most common radical scavenging mechanisms. a.

Species b ET-PT HAT/PCET SPLET PhO→PhOH
IP PDE BDE PA ETE ΔBDEPhOH
pBeet 456
N9 82 352 139 399 –11
N1 110 380 161 405 17
mepBeet 455
N1 108 377 164 399 14
m-OH-pBeet c 459
N9 79 352 140 398 –12
ArO 96 369 154 401 5
N1 109 382 162 406 18
m-OH-mepBeet 456
ArO 99 369 154 401 6
N1 108 378 164 400 15

a Values (in kJ mol−1) were calculated using Equations (1)–(6), see Methods. b Species refer to the parent species and the deprotonation site (Figure 3c). c from Reference [27].