Articles in 2021

Camptothecin derivatives are precursors of potent anticancer agents, but their biosynthesis remains largely unknown. Here two cytochrome P450 monooxygenases are shown to regiospecifically oxidize camptothecin, yielding 10- and 11- hydroxylated derivatives, which are subsequently used to produce a suite of known anticancer drugs and derivatives.

Antiwear additives are crucial to ensuring the reliable operation of lubricated machine components, but virtual screening to obtain new additives has hardly been explored. Here, the authors use nonequilibrium molecular dynamics simulations with a reactive force field to investigate the mechanochemical dissociation of phosphate esters with different alkyl substituents to inform future molecular design.

The Editors and Editorial Board of Communications Chemistry are pleased to launch a 2021 Editors’ Highlights collection featuring some of their favourite Articles published in the journal this year. Here we highlight each Article and outline why it was selected.

Transition metals are increasingly recognized as key drivers in the formation and aging of light-absorbing organic aerosols, known as brown carbon, which impact the energy flux in the atmosphere. Here the authors discuss somewhat overlooked condensed phase chemical processes and identify research needs to improve our fundamental understanding of atmospheric aerosols and ultimately reduce modelling uncertainties of the direct and indirect effects of aerosol particles on the climate.

The semi-hydrogenation of alkynol to cis-enol is a critical process in the industrial production of fine and intermediate chemicals, but viable alternatives to lead-free palladium-based catalysts for this reaction are scarce. Here, an intermetallic PdZn/ZnO nanoparticle catalyst is designed and its reactivity described.

The field of C-H activation has boomed in the past two decades, but the diverse and overlapping terms used in the literature can be difficult to parse. Here the authors review key mechanistic concepts and offer a guide to the perplexed.

Protein-ligand binding can induce the formation of cryptic allosteric pockets not found in the unbound protein, but predicting this computationally can be challenging. Here a combined computational and experimental workflow identifies ligands for H. pyloriglutamate racemase, finding that coupled dynamics of the enzyme dimer are dampened by ligand binding.

Photo-induced darkening of red cinnabar (α-HgS) often dramatically changes the appearance of artworks, but the reduction mechanism of Hg²⁺ remains unclear. Here, the authors propose an alternative pathway for the blackening reaction of cinnabar, considering its semiconductor properties and pigment-binder interactions

The transfer of chiral information from optically pure reaction components to products can generate enantiomerically-enriched molecules, but the control of stereochemistry often proves challenging. Here, the author highlights how our fundamental understanding of stereocontrol has evolved and discusses possible approaches for the rational development of enantioselective catalysts.

In situ and real-time characterization of dynamic airborne particles is important for fundamental as well as applied atmospheric chemistry, but imaging usually requires trapping the particles. Here the authors use an integrated digital in-line holographic microscope coupled with a flow tube to study moving <200 nm-sized particles without optical traps.

Environmentally friendly binders for energy materials may improve sustainability, but can suffer from poor performance. Here a gel derived from graphene oxide and starch is used as a hybrid binder for supercapacitors, providing good rate performance and stability over 17,000 cycles.

Bismuth organic frameworks can display interesting phosphorescent properties, but the relationship between structure and optical activity remains underexplored. Here two bismuth organic frameworks with differing bismuth coordination number and intermetallic distance are contrasted.

Anions in fluorophore solutions commonly act as fluorescence quenchers. Here, the formation of hydrogen bonds between acetate anions and urea-derived fluorophores leads to aggregation-induced emission enhancement in the solid state.

Phosphatidylinositol-4,5-bisphosphates are involved in membrane regulation and signalling in eukaryotes, with the distribution of acyl chains changing in response to stimuli. Here, molecular dynamics simulations and fluorescence spectroscopy experiments show that increasing acyl chain saturation increases the ordering of lipid nanodomains in artificial membranes.

Small changes in protein structure can have pronounced effects on protein–protein interactions, but quantifying this has only recently become possible. Now, the binding landscapes of three homologous enzyme–inhibitor complexes are quantified and shown to depend on whether the inhibitor binds its natural target or a structurally similar protein.

Solution activity is commonly modelled empirically or using electrostatic models. Here a mass-action solution model with defined equilibria is used to describe solution activity of neutral, symmetric, and asymmetric salt solutions over a wide range of concentrations.

Synthetic models of cells are becoming increasingly sophisticated, but engineering communication between these and living cells remains challenging. Here the authors review modes of communication and signal processing between living cells and synthetic analogs, such as giant unilamellar vesicles, proteinosomes, and coacervates.

Landomycins are promising anti-cancer agents with the potential to bypass common resistance pathways, but their mechanism of action remains incompletely understood. Here a mechanism is proposed involving intracellular sequential thiol-Michael and oxidation reactions, which depletes endogenous thiols and induces reactive oxygen species formation.

Polyamines play an important role in biogenic silica formation, however, their effects on silica particle size and condensation have not been well described. Here the authors show that bioinspired polyamine length affects silica particle size and extent of condensation.

Self-propelled nanoparticles may find medical applications. Here Mg–Fe₃O₄ based Janus nanoparticles powered by water are shown to efficiently capture cancer cells in serum and whole blood samples.