Journal of the American Chemical Society, Год журнала: 2025, Номер 147(19), С. 16630 - 16641
Опубликована: Апрель 30, 2025
Electrochemical regeneration of the nicotinamide cofactor (NADH) provides a sustainable approach to enzymatic reactions. However, low productivity and selectivity bioactive 1,4-NADH limit its broad applications. The hydrogenation NAD+ at electrode surface is strongly coupled conformation adsorbed NAD*, formation hydrogen (Had), Had transfer NAD*. Therefore, searching for materials with suitable NAD* conformation, energy, rapid becomes key task research. In this study, (111) facet Cu was found exhibit higher 86.4%, compared 50.4% 57.4% (100) (110) facets, respectively. Density functional theory (DFT) calculations revealed that high Cu(111) stemmed from favorable reduced barrier. Subsequently, nanowire (111)-dominant abundant grain boundaries, Cugb(111), constructed. kinetic analysis DFT demonstrated boundaries reduce reaction barrier formation. A record-high 73.5 μmol h-1 cm-2 achieved by while well-maintained 84.7%. This study elucidates effects crystal facets on regulating 1,4-NADH, providing pathway renewable energy-powered, high-efficiency green biomanufacturing.
Язык: Английский