Research articles

The design of beta-sheet rich proteins offers new opportunities for developing synthetic functional molecules. Here a series of proteins and peptides capable of binding multiple heme units between beta-sheets with high affinity are reported.

The detailed molecular-level speciation of organic aerosol is a highly challenging task. Here, the authors show an extensive molecular-level intercomparison of functionalized organic aerosol from three diverse field sites revealing large compositional variability between samples at each field site.

Exciton/recombination events in semiconductor quantum dots are highly dependent on surface coordination environments and these processes are well studied. Here, conversely, the authors use sum-frequency generation spectroscopy to probe the effect of the quantum dot on the vibrational structure of the ligands.

Materials with switchable colour and opacity hold promise as components of ‘smart windows’. Here a photo- and electrochromic device based on a self-assembled naphthalene diimide gel is shown to undergo reversible photo or electrochemical transition from transparent to black.

Solid-state NMR of nitrogen nuclei offers a powerful way to solve protein structures but often requires isotopic labeling. Here through-space interactions between nitrogen-14 and protons allows structural assignment of cyclosporin without the need for isotopic enrichment with nitrogen-15.

Self-driven synthetic microswimmers typically move continuously until the fuel runs out. Here, multilayer graphene oxide particles are shown to periodically swarm together under continuous UV illumination.

Glycerol is an abundant byproduct of the biofuel industry which holds promise as a platform chemical. Here glycerol is converted to value-added chemicals of varying degrees of reduction using thermostable multi-enzyme cascades.

Silicates are abundant in the Earth’s crust but their high-pressure solution chemistry has not been studied by NMR. Here the complexation chemistry of aqueous silicates is studied at pressures of up to 1.8 GPa by ²⁹Si NMR spectroscopy.

Metal-organic frameworks are attractive candidates as catalyst materials. Here, the authors report a highly symmetric hierarchical framework with a rare nha net topology catalyzing microwave-assisted radical polymerization of methyl methacrylate in high yields.

Efficient capture of iodine has important applications in nuclear waste processing. Here a class of imidazolate-derived ionic liquids are shown to chemically capture up to 17.5 grams of iodine per gram of ionic liquid at useful temperatures.

Kinetic control of self-assembly at interfaces offers a promising route to new two dimensional materials. Here high-resolution dynamic atomic force microscopy experiments combined with DFT calculations reveal the kinetic pathways by which 2,5-dihydroxybenzoic acid sequentially assembles on calcite.

Artificial intelligence approaches to medicinal chemistry are increasingly powerful but struggle to predict bioactive molecules. Here a machine learning model generates synthetically accessible mimetics of natural products, which are shown to be bioactive against the retinoid X receptor.

Intercalated metal-organic frameworks hold promising potential as supercapacitors. Here the performance of 4,4′-biphenyl dicarboxylate dilithium is explored using both experimental and computational methods, offering insight into the basis for high electron and lithium-ion conduction in this material.

Chiral allenes are useful chemical reagents, but efficient access to chiral heteroaryl allenes remains challenging. Here the authors report a copper-catalyzed asymmetric allenylation of quinoline N-oxides using 1,3-enynes, providing efficient access to axially chiral allenes bearing heteroarenes.

Transition metal nanoparticle-MOF systems have promising hydrogen storage properties but the nature of the interfacial interaction remains ambiguous. Here, the authors use computational and spectroscopic methods to investigate the electronic structure and charge transfer processes in a palladium nanocube-MOF system.

DFT is widely used to study catalytic processes but its accuracy is debated. This paper shows major variations in DFT outcome for a simple model of iron-catalyzed ammonia synthesis benchmarked against experimental and high-level quantum mechanical data.

Decoquinate is a drug used in veterinary practice, which displays antimalarial activity in vitro but has poor bioavailability. Here, the authors convert decoquinate into more soluble amide and carbamate derivatives and assess their efficacy against tuberculosis bacteria and apicomplexan parasites.

Doubly aromatic systems composed of two independent, circularly delocalised orbitals have long been predicted but are poorly explored experimentally. Here double aromaticity arising from independent σ and π orbitals is experimentally demonstrated in the hexakis(phenylselenyl)benzene dication.

Indirect control over the phase transition of luminogens by other stimuli-responsive materials in blends is challenging. Here, the authors report the self-assembly of photoresponsive solid and a mechanochromic luminescent materials, demonstrating a light-induced liberation of the sequestered luminophores.

Single-molecule studies of fast-folding proteins can reveal key mechanisms of folding. Here atomic force microscopy studies of single gpW proteins reveals an energetic barrier to folding induced by the low external force of 3–10 pN applied by the microscope.