Lightly scratching the surface: A central question regarding the water–air interface is to what extent the structure and dynamics of water molecules is influenced by the breaking of hydrogen bonds, and thus how they differ from those in the bulk water? One method to study the water–air interface is the laser-based surface-specific vibrational spectroscopy. The advances made by these investigations are presented and discussed.

Inspirational performance: The H₂ oxidation performance of a surface-immobilized bio-inspired Ni-based complex is directly compared with [NiFe]-hydrogenase. The enzyme outperforms the Ni complex at high pH, while the Ni complex outperforms the enzyme at acidic pH and in the presence of CO. Both show competitive functionality compared to Pt. These results suggest benefits for both synthetic and natural catalysts in practical applications.

Nanocup with nanoparticle: Dynamic 1:1 host–guest inclusion complexes of metal nanoparticles inside oxide nanocups are fabricated by means of a reactive double Janus nanoparticle intermediate in a kinetically controlled process. Release of the nanoparticle guests from the nanocups can be efficiently triggered by an external stimulus.

Protein–ligand complexes: A combination of the spin-diffusion-based NMR methods INPHARMA, trNOE, and STD (STI; see picture) results in an accurate scoring function for docking modes and therefore determination of protein–ligand complex structures. Applications are shown on the model system protein kinase A and the drug targets glycogen phosphorylase and soluble epoxide hydrolase.

In alkyl ammonium iodide ion conduction turns out to be substantial. The resulting stoichiometric polarization can explain anomalous features in perovskite solar cells: huge apparent low-frequency permittivity and hysteretic current–voltage behavior in cyclic sweep experiments.

Rewarding long-distance relationships: Long-range residual dipolar couplings (RDCs) between protons and remote carbon atoms complement one-bond RDCs in conveying NMR spectroscopic information about the three-dimensional structure of molecules in solution. The use of long-range RDCs in conjunction with one-bond RDCs showed, on the basis of the quality (Q) factor, that the correct diastereomer of strychnine had the SRRSRS configuration (see graph).

A well-controlled model system that mimics integrin-mediated adhesion has been developed. The interactions of these synthetic cells with various extracellular matrix proteins were analyzed using a quartz crystal microbalance with dissipation monitoring, which confirmed that the integrin had been functionally incorporated into the lipid vesicles.

Engineering promiscuity: The molecular basis for substrate specificity of carboxylating enoyl-CoA reductases was identified by screening a CoA-thioester substrate library against a library of enzyme homologues. Site-directed mutagenesis of the promiscuity-determining sites enabled a previously restrictive enzyme to accept a variety of new, bulky substrates.

Broken by you: Mechanical cycloreversion of triazoles depends on the direction of the applied force (shearing vs. unzipping) acting on the triazole unit. Computational screening of a number of triazoles formed from strained alkynes shows that cycloreversion only occurs when the force acts in the unzipping geometry and identifies azadibenzylcyclooctyne (DIBAC) as a promising strained alkyne for mechanically reversible triazole structures.

Starring PD: Defined polydopamine (PD) nanostructures were created on DNA origami templates. Multiple DNAzyme moieties precisely positioned on DNA origami oxidizes dopamine locally, which is crucial to control PD formation with nanoscale precision. The method provides a unique access towards the synthesis of anisotropic PD nanodevices coupled with precision spatial control.

Leading light: Optical control over the Min system, a biological reaction–diffusion system found in many bacteria, was achieved in vitro with the help of an azobenzene-cross-linked peptide derived from MinE. This system opens up new ways to study pattern formation in biology.

A reaction half-life of over 35 million years without catalysis: Cinnamate esters belong to the least electrophilic Michael acceptors and react extremely slowly even with strong nucleophiles such as silyl ketene acetals if no catalysis is applied. Extremely active silylium imidodiphosphorimidate (IDPi) Lewis acid catalysts now enable highly efficient Mukaiyama–Michael reactions at low catalyst loadings and with excellent enantio- and diastereocontrol.

Possible routes of Ir dissolution are proposed based on the detection of a common intermediate in the oxygen evolution reaction. At least three dissolution pathways are possible depending on the nature of the electrode and potential. At high current densities two reactions proceed via formation of volatile IrO₃. Hindering IrO₃ hydrolysis can be a strategy to improve electrode stability in the oxygen evolution reaction.

Cold as ice: A new generation of detectors has revolutionized electron cryo-microscopy (Cryo-EM). This review summarizes the use of cryo-EM to study the structure of pharmacologically relevant macromolecules that have escaped classical techniques. In many of these cases, drug-like molecules have been identified, thus validating cryo-EM as a useful tool for structure-based drug design.

The interaction of Tau protein with soluble tubulin has been dissected by using NMR methods optimized for ligand–receptor interactions. These methods reveal a complex, phosphorylation-dependent binding mode of the flanking domain downstream of the four microtubule-binding repeats of Tau to α-tubulin.

Co-operating: A scalable method was developed to get single cobalt ions on CNT surface with polymerized ionic liquid. The polymerized ionic liquid can adjust the electron structure of the atomically dispersed Co which is favorable for the oxygen evolution reaction. The tangled polymerized ionic liquid, as counter ion, make the Co ion stable on CNT surface.

Magnetic attraction: β-Ag₃RuO₄ was synthesized using hydrothermal conditions. The crystal structure is based on a hexagonal close packing of oxygen, and displays tetrameric polyoxoanions [Ru₄O₁₆]¹²⁻ embedded in a 2D trigonal environment. The Ru₄ diamonds are separated by silver, which suppress the frustrated antiferromagnetic exchange common to trigonal lattices. Strong interanionic antiferromagnetic interactions dominate instead. Key: Ag gray, Ru cyan, O red.

The importance of dispersion: DLPNO-CCSD(T) local energy decomposition analysis was used to elucidate the nature of β-agostic interactions. Short-range London dispersion between the agostic C−H bond and the metal center drives the formation of agostic structures to a large extent. These results were used to rationalize a series of previously published experimental findings.

Mono-iron hydrogenase carrying an iron guanylylpyridinol (FeGP) cofactor reversibly catalyzes hydride transfer from H₂ to methenyltetrahydromethanopterin. The enzyme becomes O₂ sensitive under turnover conditions because reduced O₂ (H₂O₂) destroys the FeGP cofactor. It is postulated that the reductant of O₂ is a short-lived intermediate of the catalytic reaction; probably an iron hydride species generated by H₂ cleavage.