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. 2019 May 27;32(7):1374–1383. doi: 10.1021/acs.chemrestox.9b00030

Table 2. Observed Product Formation (Normalized) As Described by Regal et al.12 at 5 and 25 mM Caffeinea.

normalized product formation
SOM 5 mM (100% HS) 25 mM (72% HS + 28% LS) 100% high spin 100% low spin
N1-C10 (TB) 0.11 0.22 0.11 0.25
N3-C12 (TX) 0.78 0.17 0.78 0
N7-C14 (TP) 0.12 0.56 0.12 0.69
C8 (TMU) 0 0.05 0 0.07
a

We propose that the data at 25 mM with an increased overall turnover by a factor 2.1 is the weighted average of an HS product formation and an LS product formation at fivefold increased activity.