forthcoming articles

We enumerate and describe piecewise-linear embeddings of cubic and icosahedral tangles and linked polyhedra with one kind of vertex and two kinds of edge.

This study presents a comprehensive characterization of the symmetry structures of tilings on a Klein bottle, arising from tilings of the Euclidean plane with crystallographic symmetry groups containing a subgroup of type pg.

The study introduces new primitive icosahedral quasicrystals in Zn–Mg–Li–(Dy, Ho, Er, Tm) systems. Quasicrystals are studied with an X-ray diffraction technique resolving the local atomic structure.

Natural quasicrystals from the Khatyrka meteorite reveal that hypervelocity impacts can generate and preserve quasiperiodic phases under extreme non-equilibrium conditions. Their occurrence highlights [the role of] quasicrystals as robust markers of shock processes, offering new insights into the collisional and chemical evolution of planetary bodies.

Here, we present a structural solution of the primitive icosahedral ZnMgEr quasicrystal representing Bergman-type family. The structure model is based on the atomic decoration of the Ammann-Kramer-Neri tiling.

CRYSP is a software tool for the construction and visualization of crystal shapes in both natural habits and on planar substrates. It also supports morphologies associated with non-crystallographic point groups.

The tunable synthesis of sea-urchin-like platinum nanoparticles via fluoride-assisted galvanic replacement is demonstrated, revealing how nanospike morphology directly influences crystallinity, surface wettability, and surface-enhanced Raman scattering (SERS) performance. By tuning the reaction time, the morphology of Pt nanoparticles can be controlled to enhance SERS and optical performance, thereby, advancing plasmonic sensing and antireflective surfaces.

Electron density distribution in the intermolecular space of (R)-3-quinuclidinol under external pressure is studied in relation to the deformation of hydrogen bonds, hydro­static compressibility, macroscopic elastic and piezoelectric properties.

In lacunary apatite structure-type Pb₄Na(PO₄)₃, residual density attributable to the deformed 6s² electron cloud is found in the vicinity of A2-site Pb²⁺ on equilateral triangle A2 normal to c. Systematic comparison on the size of the A2 triangle with other apatite-type compounds indicates limited stereochemical activity of the orbital.

The phase equilibria in the LiB₃O₅–NaF–Li₂Mo₄O₁₃ and LiB₃O₅–NaF–Li₄Mo₅O₁₇ systems were studied. The presence of NaF results in an increase in the viscosity of borate systems that contain LiB₃O₅. The weight yield percentage of LBO[LiB₃O₅] can reach up to 60%.

Three novel crystal structures for bromine-substituted ferro­cen­yl chalcones are reported, as well as an in-depth structural study that includes five structures within the series of com­pounds. The effect of bromine substitution on the aromatic ring and enone connectivity of the ferro­cen­yl chalcones was evaluated over crystal structure and supra­molecular features. A Hirshfeld surface analysis is also developed.

A software tool is introduced for associating text mentions of protein residues with their respective residues in a protein structure, with display in a molecular viewer.

We propose a numerical measure to quantify the deviation of a distribution of cryo-EM 2D views from the uniform distribution. This approach allows the traditional two-dimensional projection diagrams to be complemented with quantitative characteristics and simple, easily generated curves that are straightforward to analyze.

This paper demonstrates how SAXS data on different dsDNA oligonucleotides can be analysed using a polymer model to determine the statistical properties of the local conformations in solution. Orienting the conformations produced by the model with respect to the sequence allows the precise determination of sequence-dependent structural effects.

In the solid state, hexa­kis­[di­methyl­tin(IV) difluoride] potassium iodide, (Me₂SnF₂)₆·KI, consists of planar layers of corner-linked {Me₂SnF_4/2} octa­hedra in a snub hexa­gonal tiling (sr{3,6}) arrangement, which leads to the formation of hexa­gonal pores in which potassium cations are located. The latter are linearly connected to iodide anions perpendicular to the layers.

Two short intra­molecular S⋯O=C contacts and one intra­molecular ‘weak' C—H⋯O=C hydrogen bond cause most of the mol­ecule to be approximately planar. The main secondary inter­actions are a ‘weak' hydrogen bond, stacked pairs of mol­ecules and a C—H⋯π contact.

In the title compound, the carbon tetra­chloride solvent mol­ecule is presumed to have originated as an impurity in the chloro­form solvent used. In the extended structure, the cation and anion are linked by an N—H⋯O hydrogen bond. Along with electrostatic forces, C—H⋯N, C—H⋯S and C—H⋯O hydrogen bonds help to consolidate the crystal packing.

The reaction of ZnCl₂ with PCl₅ in a 1:1 molar ratio at 623 K produced single crystals of ZnPCl₇, which crystallizes in the ortho­rhom­bic space group Ama2. Its extended structure features isolated [PCl₄]⁺ tetra­hedra and one-dimensional chains of corner-sharing ZnCl₂Cl_2/2 tetra­hedra.

The crystal structures and Hirshfeld surface analyses of two similar azo compounds are reported. In the first, the mol­ecules form layers parallel to the (010) plane through C—H⋯π and C—Cl⋯π inter­actions and van der Waals inter­actions between these layers consolidate the packing. In the other, the mol­ecules are connected by C—H⋯O and C—H⋯Cl hydrogen bonds, forming a three-dimensional network. C—Cl⋯π inter­actions also contribute to the packing.

The benzimidazole and anthracene moieties in the title compound contains are oriented at a dihedral angle of 46.00 (2)°. In the crystal, N—H⋯N hydrogen bonds link the mol­ecules into infinite chains along the b-axis direction. In addition, C—H⋯π inter­actions contribute to the consolidation of the packing.

Single crystals of 2-amino-4-nitro­imidazole hydro­chloride were synthesized by slow evaporation and characterized by X-ray diffraction. The crystal structure features a planar imidazolium cation and a chloride anion, forming a three-dimensional supra­molecular network via N—H⋯Cl and N—H⋯O hydrogen bonds.

The striking blue colour of the American lobster is caused by proteins that interact with the red pigment astaxanthin, causing its colour change. We have purified and characterized the pigments from the American lobster for crystallographic and cryo-EM studies.

We present a 2.13 Å resolution structure of DNA-free XPD from T. acidophilum in a novel orthorhombic lattice obtained under high ionic strength conditions. Compared with prior hexagonal forms, this structure features fewer crystal contacts and uniquely resolves loop 510–514. Interestingly, Tyr425 adopts an inward-facing conformation that would clash with DNA, suggesting a possible autoinhibitory role. These findings highlight how crystallization conditions influence lattice stability and reveal functionally relevant conformations.

The development of a new contrast software suite for small-angle neutron scattering (SANS) contrast variation (CV) experiments is reported. This new platform, integrated into the SASSIE-web framework, streamlines experiment planning, simulation, and data analysis to improve the accessibility and efficiency of SANS CV studies for multi-component biological complexes.

On the basis of phenomenological theory, taking into account the crystal chemical properties of the compounds, the factors determining the formation of rotationally ordered phases in a large group of rare earth perovskites have been identified. It has been shown that the tendency to bend cation–anion bonds generates two types of rotational ordering, the specificity of the interaction of which determines the structure and arrangement of the ordered phases.

Inelastic neutron scattering shows that the non-reciprocal nature of the magnons in the skyrmion phase of MnSi is maintained for high temperatures well beyond the skyrmion-paramagnetic phase transition.

A user-friendly fixed-target platform for serial synchrotron crystallography is described that allows low-background X-ray diffraction data collection, in situ crystallization and transportation of protein microcrystals at room temperature.

A total-reflection Kirkpatrick–Baez nanofocusing mirror system at the Shanghai Synchrotron Radiation Facility achieves a two-dimensional spot of about 50 nm, with preliminary imaging and ptychography experiments demonstrating sub-50 nm resolution. This advancement enhances high-resolution experimental applications in materials science and nanotechnology.

We present results and practical considerations for the analysis of neutron spin echo data from vesicles with undulating membranes using a framework that was recently published [Granek et al. (2024). Eur. Phys. J. E 47, 12]. We show the importance of vesicle diffusion, size, lamellarity and osmotic pressure as well as the effects of membrane viscosity on the quantitative value for the bending rigidity.

For the first time quantum refinement has been performed with X-ray free-electron laser and microcrystal electron diffraction data for the dinuclear iron site in the R2a protein of ribonuclease reductase. The method is shown to work well and can be used to determine the protonation state of the bridging solvent molecule and deduce photoreduction in two of the structures.

A new carrier matrix for the high-viscosity injection of protein microcrystals during serial crystallography experiments is presented and characterized. Its suitability is validated by crystallographic data collection at the SACLA XFEL and further characterization at the ESRF synchrotron.

A reverse Monte Carlo/pair distribution function method was used to reconstruct the disordered 3D atomic structure of simulated AuPd nanoparticles at various stages of diffusional mixing.

Bragg coherent diffraction imaging measurement sometimes require manual and time-consuming cleaning of parasitic signals like "aliens" from nearby particles that can affect the phase retrieval reconstruction. Here, we propose using clustering technique to speed up this process while keeping the resolution of the reconstructed object high. A user-friendly python Jupyter notebook code is available on Github.

Two samples are imaged using four X-ray dark-field imaging setups: propagation-based, single-grid, and single- and multiple-exposure speckle-based imaging. Dark-field retrieval algorithms have recently been developed by the authors to analyse data acquired on each of these setups, and these algorithms are applied to the corresponding datasets. These algorithms vary in both the number of required input images and their computational strategies, operating either globally on entire images or locally within sub-image-sized analysis windows. Despite these differences, all the approaches belong to the family of dark-field retrieval techniques that directly resolve local blurring or visibility changes in the measured images to recover the dark-field signal. This family of techniques is particularly suitable for high-resolution X-ray imaging, where the pixel size is already comparable with the characteristic width of this dark-field blurring. The strengths and limitations of each imaging setup and retrieval method are discussed, but most importantly, the paper demonstrates agreement across the techniques in terms of the extracted dark-field signal, all consistently isolating areas of small-angle scattering from unresolved microstructures. Finally, we discuss the complementarity of the presented techniques, and in which applications each technique can provide the most advantage.

A defocused illumination method based on a beam-shaping condenser to suppress fringe artifacts arising from rectangular aperture diffraction and sub-grating interference is developed, providing an effective and practical approach for achieving wide-field and uniform illumination in X-ray microscopy.

An Experimental Control System leveraging Bluesky and EPICS has been developed for the X-ray Magnetic Circular Dichroism endstation at Hefei Light Source-II. The design of a simulation debugging environment and the performance of three distinct scan modes have also been discussed.

A high-throughput X-ray total scattering system was newly installed in BL04B2, achieving more than 10 times faster acquisition times than those of the conventional setup.

Advanced serial crystallography utilizing high-energy X-rays enhances diffraction efficiency, data quality and structural resolution under room-temperature conditions.

Linear dichroic X-ray tomography is a technique in which the linear dichroism of anisotropic materials is used to image crystal orientation in three dimensions. We show that the reconstruction of tomograms is subject to errors due to the change in polarization on propagation through the material and propose strategies for mitigating these effects.

The first implementation of X-ray multi-projection imaging (XMPI) at the ForMAX beamline (MAX IV) enables the acquisition of multiple projections simultaneously without requiring sample rotation. This approach facilitates volumetric studies of fast dynamics at frame rates of 12.5 kHz with micrometre resolution, with the potential of even higher speeds, surpassing the limitations of state-of-the-art methods like time-resolved tomography.

We successfully achieved simultaneous lasing of 7.48 keV Ni Kα₁ and 8.05 keV Cu Kα₁ emissions using an intense X-ray free-electron laser (XFEL) pulse. This achievement – the realization of simultaneous two-color X-ray lasing using a single-color XFEL pulse – is expected to advance the development of X-ray lasers and their applications.

Commensurately and incommensurately modulated phases of chlorpropamide have been obtained for the first time on hydro­static compression of its δ polymorph.