forthcoming articles

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.

The internal space expansion with variable system size is investigated for three different oxide quasicrystal systems. Patches of 7800, 4800 and 3600 vertices are examined in Ba–Ti–O/Pt(111), Eu–Ti–O/Pd(111) and Sr–Ti–O/Pd(111), respectively. This internal space inspection provides unique structural information for quasicrystalline systems, which goes far beyond a tiling analysis in the physical space.

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.

The 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.

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%.

The 2,4,6-tris­(4-tert-butyl­phen­yl)phenoxyl radical formed two solid solutions with its meth­oxy analogue. According to single-crystal X-ray analysis, the crystal structures of each solid solution are thought to be dominated by the characters of the main com­ponents.

After the reaction between 2-formyl­phenyl­boronic acid and benzhydrazide, one of the two products was isolated. The reaction outcome is modulated by solvent choice; performing the reaction in water gives a benzoyl hydrazone and conducting the reaction in ethanol leads to the isolation of a dimer product. These findings are supported using a combination of X-ray crystallography and NMR and high-resolution mass spectrometry (HRMS) data.

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.

It is postulated that the PDB should use the CAVEAT record more prominently to warn scientists using its archives of potential risks and errors.

The asymmetric unit of the title compound contains two crystallographically independent mol­ecules and an ethanol solvent mol­ecule. In the crystal, O—H⋯O and C—H⋯O hydrogen bonds link the mol­ecules into a three-dimensional architecture, enclosing R⁴₄(23) ring motifs. C—H⋯π(ring) inter­actions and the π–π stacking between the centroids of the parallel rings help to consolidate the packing.

The title compound, [C₂₈H₂₄N₂O₂Pd], contains a N,O-bidentate ligand and features a square-planar Pd^II atom coordinated by two chelating ligands. In the crystal, the mol­ecules are linked through weak C—H⋯π inter­actions.

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.

The crystal structure of the title compound has been redetermined in the triclinic centrosymmetric space group P1. The benzene ring and the benzimidazole group are almost coplanar, with N—C—C—C torsion of 2.2 (3) and 5.9 (4)° in the two independent mol­ecules in the unit cell. The crystal structure features N—H⋯O and O—H⋯N hydrogen bonds and offset π–π stacking inter­actions.

Both title compounds crystallize in Sohnke space groups. The ligand crystallizes in P2₁, and the complex in P2₁2₁2₁, with the Pd^II atom in a slightly distorted square-planar environment.

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 paper formally addresses the influence of the substrate curvature and size on the grazing-incidence small-angle X-ray scattering (GISAXS) signal. Using the established theory, GISAXS can be combined with substrate-curvature-based stress measurements, which is demonstrated on the example of Ag thin-film growth.

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.

A new Python package, pygid, enables fast batch processing of X-ray scattering data, with a particular focus on grazing-incidence geometries.

Grazing-incidence wide-angle X-ray scattering is presented as a novel approach to measure X-ray diffraction pole figures, enhancing sensitivity to nanoparticle and thin-film texture when compared with conventional Schulz geometry. Tuning of the grazing-incidence angle is utilized to obtain texture information at different depths in thin films.

The present study investigates the deformation behavior of high-strength steels and the associated evolution of material anisotropy. Particular focus is placed on the impact of crystallographic texture and intergranular strains on how residual stresses can be evaluated using X-ray diffraction and the associated assessment of weld seams in the automotive industry.

The effect of chromatic dispersion due to the difference between Si(111) double-crystal monochromator and sample Bragg angles in rocking curve imaging at a synchrotron has been evaluated. This previously unaccounted for mismatch leads to a change in the image size parallel to the scattering plane which must be considered for accurate determination of diffraction profiles, image resolution and lattice plane curvatures.

A rapid scanning X-ray nanodiffraction method is demonstrated to efficiently assess local microstructural changes in polycrystalline micropillars during deformation, enabling real-time insights.

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.

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.

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—realizing 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.

Geometrical magnification and X-ray energy are optimized with respect to spatial resolution, contrast, noise, radiation dose and other image quality characteristics. The optimization is performed using a simple theoretical model of a homogeneous edge feature embedded in a bulk uniform sample, and the resulting generic analytical expressions for image quality characteristics are evaluated for several sets of parameters relevant to synchrotron-based in-line X-ray imaging setups.

We present an application of bent Laue crystals as X-ray optics to increase beam intensity in bending-magnet beamlines at synchrotron facilities.

Stereochemical analysis based on the principle of structure correlations has been carried out to identify the primary nucleophile residue in each of the three classes of L-asparaginases and in a group of classless enzymes, helping to affirm their affiliation.