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. 2022 Apr 4;12(8):4554–4559. doi: 10.1021/acscatal.2c00485

Table 1. Optimization of the Reaction Conditionsa.

entry c(CiVCPO) (nM) pH c(H2O2) (mM) concn (mM) initial rateb (mM h–1) TONc selectivityd (%)
1 100 5 30 10.3 ± 1.1 3.80 10,2700 99
2 200 5 30 14.6 ± 1.6 5.68 73,200 99
3 400 5 30 24.6 ± 1.2 6.97 61,600 97
4 400 4 30 10.9 ± 1.9 2.95 27,100 96
5 400 6 30 19.6 ± 1.0 6.49 48,880 96
6 400 7 30 12.3 ± 0.1 4.03 30,600 94
7 400 5 50 23.5 ± 5.7 6.36 58,700 98
8 400 5 100 19.4 ± 0.4 3.14 48,000 98
9 400 5 200 21.6 ± 3.5 5.76 54,000 98
10 400 5 100e 26.0 ± 0.7 7.95 65,000 97
a

Reaction conditions: [p-coumaric acid] = 30 mM, citrate buffer (100 mM, pH 4–5) or NaPi buffer (100 mM, pH 6−7), [CiVCPO] = 100–400 nM, [KBr] = 50–100 mM, [H2O2] = 30–200 mM, 30 °C, 5% DMSO, 6 h, 1 mL.

b

The initial rate is based on concentration of 1b at 3 h.

c

TON = Turnover number ([1b]/[CiVCPO]).

d

The selectivity was determined by gas chromatography–mass spectrometry (GC–MS). Selectivity = [1b]/([1b] + [1c]) × 100%.

e

[KBr] = 100 mM. A duplicate experiment was performed.