Drug lead compound identification increasingly uses high‐throughput screening in conjunction with computational methods. Hits found in this way are generally of low affinity (typically about 10−5 M) and require further development. Such low affinity can result in significant changes in binding mode upon change of experimental conditions: at pH 7, the Factor Xa inhibitor 1 (see picture) binds in the specificity pocket of trypsin through its pyridinyl group (yellow); at pH 8, the same pocket is occupied by the chloronaphthyl moiety (magenta), with a significant reorganization of the ligand binding site (circled).

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A novel sol–gel route for ZrO2 nanoparticles based on microwave heating shows an improved energy and waste balance.

This study reports the synthesis of high‐surface‐area Ce1−xGdxO2−δ (CGO) fibers that are used as catalysts for the oxidation of HCl. Special emphasis is put on the role of the oxygen storage capacity (OSC) of the CGO fibers on the catalytic performance. An in‐depth physicochemical characterization of high‐surface‐area CGO was achieved by employing a multitude of dedicated spectroscopic techniques. The increasing OSC with Gd content is traced to the development of a space charge region with increased electron concentration as a result of the nano size of the CGO particles. The activity of CGO in the HCl oxidation reaction is shown to decrease with Gd concentration.