Research articles

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.

Nucleation is a ubiquitous process, but key kinetic parameters governing the rate of nucleation can be difficult to measure. Here a combination of in situ GISAXS and ex situ AFM measurements allows experimental determination of the activation energy and pre-exponential kinetic factor for heterogeneous CaCO₃ nucleation on quartz.

The hydrophobicity of nanomaterials can strongly influence their behaviour and particularly their interaction with biological systems, but quantifying this in solution can be difficult. Here the surface hydrophobicity of nanoparticles in solution is quantitatively measured by analysing the kinetics of binding to engineered collectors.

Cationic species are implicated in many catalytic processes, but can be hard to detect owing to their low abundance and short lifetimes. Here a model micro catalytic reactor is integrated directly to the ion inlet of an  Orbitrap mass spectrometer, allowing direct detection of hundreds of cationic species in the catalytic dehydration of short-chain alcohols

Iron-based oxides are promising oxygen carriers for thermochemical syngas production, but can be prone to deactivation during the reaction. Here an iron-based catalyst is shown to transform reversibly between perovskite and core–shell structures during methane-to-syngas conversion, accounting for its high stability toward coke deposition.