Synthesis and quantum crystallographic evaluation of WYLID: YLID's red rival

The synthesis and quantum crystallographic analysis of the chemical bonding within WYLID, 2-(di­methyl-λ⁴-sulfane­ylidene)-[1,2′-bi­indenyl­idene]-1′,3,3′(2H)-trione, a condensation product of YLID which is the most widely used calibrant for laboratory diffractometers, is presented. An ylid-type description of the S—C bond and a carbonyl-type description of the C—O bonds in WYLID is found in all aspects of the analysis.

Local orthorhombic phase in zirconium oxide nanocrystals: insights from X-ray pair distribution function analysis

The local structure of ZrO₂ nanocrystals is investigated using X-ray pair distribution function analysis, revealing orthorhombic distortions independent of crystallite size. These findings suggest a potential intermediate phase in ferroelectric switching.

Probing Langmuir monolayer self-assembly in condensed and collapsed phases: grazing-incidence X-ray diffraction and X-ray standing waves studies

This work explores the effect of the pseudo-herringbone molecular packing on the structural reorganization in collapsed Langmuir monolayers.

Designing a dataset for convolutional neural networks to predict space groups consistent with extinction laws

A deep learning method is used to achieve space-group prediction consistent with extinction laws. The trained model presents a much stronger generalization capability than previously reported models.

Prediction of the space group and cell volume by training a convolutional neural network with primitive `ideal' diffraction profiles and its application to `real' experimental data

This study describes a deep learning approach to predict the space group and unit-cell volume of inorganic crystals from their powder X-ray diffraction profiles.

A global optimization approach to automated indexing of fiber diffraction patterns

This study introduces an innovative approach to the automation of fiber pattern indexing, leveraging the power of genetic algorithms.

Analyzer-based X-ray phase contrast imaging using the forward-diffracted o-beam in a few-millimetre-thick Bragg-case asymmetrically cut crystal

An analyzer-based X-ray phase contrast imaging experiment employing the forward-diffracted o-beam in a thick Bragg-case asymmetrically cut analyzer crystal has been implemented and tested in a geometry very similar to that used in conventional radiography.

Strain-induced density fluctuations in linear low-density polyethyl­ene

This study investigated how comonomer species and content affect strain-induced density fluctuations in linear low-density polyethyl­ene. It was found that increased spatial homogeneity before stretching, influenced by the type and amount of comonomer, suppressed the strength of density fluctuation induction during strain.

Differences in hierarchical structural changes between unoriented P(3HB) and P(3HB-co-3HH) under stretching

By using in situ X-ray scattering, the introduction of 3-hy­droxy­hexano­ate (3HH) to the eco-friendly polymer poly[(R)-3-hy­droxy­butyrate] [P(3HB)] was found to reduce both the density fluctuations on the submicrometre scale and the stability of the crystals, resulting in a reduction of the brittleness.

Rheo-SAXS study on electrically responsive hydro­gels with shear-induced conductive micellar networks for on-demand drug release

In this study, electrically responsive hydro­gels were developed with enhanced on-demand drug release by combining poly(3,4-ethyl­ene­dioxy­thio­phene):poly(benzene­sulfonate) with Pluronic F127 micelles functionalized with negatively charged benzene­sulfonate groups, forming conductive nanonetworks. Evaluations using piroxicam and advanced structural analyses (including rheological small-angle X-ray scattering, rheo-SAXS) revealed that blade-coating fabrication improves conductivity and voltage-triggered drug release efficiency, showcasing the potential for on-demand transdermal drug delivery patches.

A SAXS/WAXD beamline with laboratory SAXS apparatus at NanoTerasu

Laboratory small-angle X-ray scattering (SAXS) equipment was employed at the SAXS station at NanoTerasu (Sendai, Japan) for SAXS and wide-angle X-ray diffraction (WAXD) measurements.

Structure factors of random hard disk packing in 2D by explicit modeling

Structure factors of disks that are randomly packed in 2D, equivalent to parallel cylinders, are given as a function of the area fraction. This structure factor can be used to interpret scattering features from densely packed fibrous systems.

New features in ATSAS-4, a program suite for small-angle scattering data analysis

ATSAS is a comprehensive software suite for the processing, visualization, analysis and modeling of small-angle scattering data. This article describes developments in the ATSAS-4 release series.

3DStrainOrientationCalculator: a 3D diffraction data analysis tool for single-crystal substructure information extraction

The program 3DSOC provides a new way of extracting single-crystal substructure information from monochromatic neutron diffractometer data.