Phase transitions in metastable rutile-related V0.92O2 were studied with single-crystal X-ray diffraction and measurements of electronic transport properties at extreme conditions. The high-tem­per­a­ture incommensurate phase was found to be insulating.

A pipeline with a graphical user interface for real-time and offline 3D ED/microED data processing by XDS was developed. The pipeline aims to improve efficiency, minimize redundant data processing work and provide users with real-time feedback during data collection.

The crystal structure and thermal expansion behaviour of di­acet­y­lene were determined via diffraction methods and supplemented by spectroscopic techniques. The similarities to the structure of acetylene and implications for Titan in situ exploration are discussed.

A generalized diffraction model is presented for anisotropic nanomaterials with fibre symmetry, enabling the extraction of 3D orientation, strain and angular dispersion from wide-angle X-ray scattering patterns without sample rotation. Validated on chitinous Bouligand structures in shrimp cuticle, this framework allows robust multi-reflection analysis and is broadly applicable to complex biological and synthetic fibre-based materials.

The Ewald sphere is inherent in image formation in the electron microscope and must therefore be part of the reconstruction of cryoEM maps. This study examines linear image-formation theory to show how Ewald sphere information derives from focal series micrographs and relates to the exit wave. It concludes by suggesting the proper way to correct for the contrast transfer function for cryoEM reconstruction.

Linear-scaling fragment Hirshfeld atom refinement has been implemented in Olex2 within the NoSpherA2 interface, which also solved previous issues with hydrogen bonds. This allowed the refinement of two small proteins, crambin and rubredoxin (the latter including a metal site), with quantum mechanical aspherical atomic form factors.

A stepwise guide to the crystallization of charged molecules from aqueous solutions is presented.

Bacteriophage ΦKZ is a massive bacterial virus with potential as a therapy for Pseudomonas aeruginosa, which forms a bacteriophage nucleus in infected cells to exclude the host immune system, and transcribes its genes with its own, non-canonical multi-subunit RNA polymerase. The structure of this polymerase in the process of binding an analogue of its cognate promoter is resolved, revealing an unanticipated method of promoter consensus recognition involving the β-like, rather than the σ-factor-like subunit.

This study presents the crystal structure of human rhinovirus (hRV)-B14 3C protease bound to AG7404, a broad-spectrum antiviral inhibitor, at a resolution of 2.11 Å. Antiviral assays and in silico studies provide structural insights into AG7404's efficacy and binding mechanism against hRV-B14, hRV-A16 and hRV-A21 3C proteases.

An advanced X-ray ptychography system has been developed that facilitates nanoscale imaging across both tender and hard X-ray regions using a single optical setup.

The development of methods for low-cost time-resolved cryo-EM using an on-grid mixing strategy is described.

Electrostatic potential maps of proteins are calculated at various resolutions using the transferable aspherical atom model (TAAM) to determine the relations between the electrostatic potential and resolution for different atom types.

The influence of the X-ray step size on radiation damage occurring in serial data collection from a metalloprotein using sheet-on-sheet fixed-target chips was investigated at fourth-generation synchrotron and XFEL beamlines.

The room-temperature structure of Sr2FeIrO6, a double perovskite with notable magnetic and structural properties, has been debated extensively. Our high-resolution and high-pressure synchrotron-based powder X-ray diffraction findings provide compelling evidence to reconcile these divergent positions, laying groundwork for future research.

Thortveitite-related Fe2P2O7 shows three reversible phase transitions and has an incommensurately modulated crystal structure at room temperature.

Seven venetoclax solvates were structurally characterized and studied for their desolvation behaviour, leading to the identification of two solvent-free polymorphs. Advanced crystallographic and computational analyses, including Solvate Analyser, CSD-Particle, FTIR and solid-state NMR, revealed key factors governing solvate stability and transformation. Notably, the acetone solvate exhibited exceptional stability and the desolvated forms retained the molecular arrangement of their parent solvates.

Structural analysis of the co-crystal between human DNA glycosylase hOGG1 and a light-sensitive substrate analog highlights its utility as a platform for real-time observation of catalytic dynamics.

We demonstrate the application of a nitric oxide releasing photocage system for time-resolved serial crystallography studies of two heme containing proteins using a fixed target sample delivery system. Optimal parameters for successful photocage activation and nitric oxide release are explored.

Electron cryo-tomography of ATP synthase dimers in plant mitochondria indicates a wide dimer angle and a plant-specific subunit in the peripheral stalk.

A new satellite is discovered in the manganese Kβ spectrum using extended-range high-energy-resolution fluorescence detection. Advanced insights on its structure and evolution are extracted with principal component analysis.

Selective nuclear spin reversal by the method of adiabatic fast passage is a way to order a system of dynamically polarized nuclei. Using polarized neutron scattering, it increases the visibility of sources and sinks of proton polarization in radical proteins. Notably, Tyr369 has been confirmed as a potential radical site in bovine liver catalase.

This study identifies carbon crystal structures as 4-degree quotient graphs and proposes a novel approach for generating 3D 4-coordinate networks using 2D (2+1)-regular bipartite-like graphs. Through a random group and graph theory (RG2) method, we discover 509 new structures, including two low-energy phases (Pbam48 and Pbam40) that exhibit exceptional stability and potential applications as superhard carbon and quasi-direct band gap silicon materials in mechanical processing and solar photovoltaic technologies.

Quasicrystals are long-range-ordered materials with rotational symmetry incompatible with periodicity. Takakura et al. [(2025). IUCrJ 12, 435–443] present a study of a single grain of icosahedrite, the first natural icosahedral quasicrystal, which was found in a meteorite in 2009. Through detailed analysis of the diffraction peaks, they conclude that natural AlCuFe is an icosahedral quasicrystal superimposed by a phasonic modulation along the fivefold directions, which is similar to that observed in the synthetic quasicrystal. Based on knowledge of the synthesis and phase stability of icosahedral AlCuFe, they discuss the formation of icosahedrite in the meteorite.