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Selective inhibition of function-specific β-GlcNAcase has great potential in terms of drug design and biological research. The symmetrical bis-naphthalimide M-31850 was previously obtained by screening for specificity against human glycoconjugate-lytic β-GlcNAcase. Using protein-ligand co-crystallization and molecular docking, we designed an unsymmetrical dyad of naphthalimide and thiadiazole, Q2, that changes naphthalimide specificity from against a human glycoconjugate-lytic β-GlcNAcase to against insect and bacterial chitinolytic β-GlcNAcases. The crystallographic and in silico studies reveal that the naphthalimide ring can be utilized to bind different parts of these enzyme homologs, providing a new starting point to design specific inhibitors. Moreover, Q2-induced closure of the substrate binding pocket is the structural basis for its 13-fold increment in inhibitory potency. Q2 is the first non-carbohydrate inhibitor against chitinolytic β-GlcNAcases. This study provides a useful example of structure-based rationally designed inhibitors as potential pharmaceuticals or pesticides.

Via a novel facile in situ selective nitrogenization method, the high-efficiency electrocatalyst of Co4N porous nanowire by coupling CeO2 (Co4N–CeO2/NF) are fabricated for boosting HER performance.

With phenanthrene and hydrogen as raw materials, the hydrogenation of phenanthrene was tested over CoMo/ Al 2 O 3 catalyst in a fixed-bed microreactor. Effects of temperature, pressure and space velocity on the reactions were systematically investigated. On the basis of the equilibrium constants calculated by thermodynamic method and kinetic equation derived by the adsorption theory of Langmuir−Hinshelwood−Hougen−Watson, the rate constants, activation energy, and adsorption constants were estimated by the Broyden−Fletcher−Goldfarb−Shanno optimization method, and the different reaction networks were compared and screened. In this study, the result showed the path from 9,10-dihydrophenathrene to tetrahydrophenathrene could be neglected, and the path from 9,10-dihydrophenathrene to 1,10-octahydrophenanthrene could not be excluded.

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