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Updated: Mar 12, 2026

Development of Heterogeneous Enantioselective Catalysts using Chiral Metal-Organic Frameworks MOFs
Published on: January 17, 2020
Fast-track discovery of MOF-derived M@NC catalysts for HMF-to-FDCA oxidation via DFT prescreening and Box-Behnken
Zhan Chen1, Zhenzhi Xia1, Zekun Hu2
1State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of Technology, Wuhan 430070, P. R. China.
Abstract:
Efficient HMF-to-FDCA oxidation requires the co-optimization of intrinsic active-site chemistry and a multidimensional reaction window. Here we report a fast-track DFT-to-experiment workflow that accelerates both catalyst selection and condition optimization, delivering a 94.3% FDCA yield after Box-Behnken optimization and demonstrating an efficient strategy for biomass upgrading.
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