Fig. 3: Catalytic performance of Pd1/CALB-P in alkyl–alkyl cross-coupling reactions.
From: Cooperative catalysis by a single-atom enzyme-metal complex
a Reaction scheme and the conversion. b TOF of Pd1/CALB-P and Pd(OAc)2 in the cross-coupling of 1-bromohexane and B-n-hexyl-9-BBN in H2O:THF (4:1) or THF. Conditions: 30 mM 1-bromohexanes, 100 mM B-n-alkyl-9-BBN, and 6.7 mol% Pd. c Activity of Pd1/CALB-P in the cross-coupling reactions using 1-bromohexane or 1-bromododecane as the electrophile and B-n-butyl-9-BBN, B-n-butyl-9-BBN, B-n-butyl-9-BBN, or B-n-butyl-9-BBN as the nucleophile, compared with Pd(OAc)2 (reference activity as 100%) at the same amount of Pd. d The calculated binding free energies of the enzyme-substrate complex. e Conversions in ten cycles for the cross-coupling of 1-bromohexane and B-n-hexyl-9-BBN reaction using Pd1/CALB-P as the catalyst in H2O:THF (4:1). Each data point and error bar represent the mean and standard deviation from at least three independent measurements.
