ARTIGOS EM DESTAQUE

Open-access and free articles in IUCrJ

Post-acquisition super resolution for cryo-electron microscopy 02/09/2026
Recently, reports have demonstrated achieving resolutions beyond the physical Nyquist limit using super resolution acquisition. Here, we demonstrate exceeding this limitation by pre-processing the raw micrograph movies from counting mode data that have already reached the physical Nyquist reconstruction resolution. To demonstrate functionality, micrograph movies of multiple datasets were pre-processed, showing that it is possible […]
Burton Smith, R.N.
Simple and robust aqueous sheet jets in vacuum 01/09/2026
Free-standing thin liquid films offer a convenient way to probe matter in solution without a substrate, where a small sample thickness is required. The production of thin films in a vacuum environment is required for probes that cannot penetrate through a surrounding gas or in cases where the gas produces problematic background noise. Nozzles that […]
Konold, P.E.
A discussion of cryo-EM terminology as the outreach and number of PDB entries expand 01/09/2026
Cryo electron microscopy (cryo-EM) has made great advances in the last decade, progressively increasing its impact in structural biology as a key method to address molecular structures and mechanisms of various macromolecular complexes. Single-particle cryo-EM will soon equal the number of yearly entries in the Protein Data Bank from structures determined by X-ray crystallography. This […]
Klaholz, B.P.
Magnetic order in Tsai-type icosahedral quasicrystals and periodic approximants 01/09/2026
Quasicrystals (QCs), a class of aperiodic crystals with long-range order and non-crystallographic rotational symmetry, provide a unique platform for exploring emergent magnetism beyond conventional periodic solids. Although theoretical studies have long suggested that magnetic order is compatible with quasiperiodicity, long-range magnetic order in real QCs has only recently been realized through design principles established from […]
Labib, F.
Interpreting wide-angle X-ray scattering data using DNA duplexes as model systems 01/09/2026
Small-angle X-ray scattering (SAXS) provides important information about global biomolecular solution structures yet is resolution limited. Extension to higher scattering angles through wide-angle X-ray scattering (WAXS) extends the resolution of solution measurements to single ångströms; however, interpretation of WAXS profiles is challenging. Here we establish a practical framework for interpreting WAXS measurements in terms of […]
Hu, Q.

Open-access and free articles in Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

Interaction frequencies as a means to design multicomponent forms 01/08/2026
Mazzeo, P.P.
Coupled intra- and inter-tunnel short-range order in hollandites: a case study of mannardite Ba[(Ti4+)6(V3+)2]O16 08/07/2026
Mannardite, Ba[(Ti4+)6(V3+)2]O16, a mineral of the hollandite supergroup, is characterized by a tunnel structure built up from double chains of edge-sharing octahedra. It shows complex order/disorder phenomena that are often related to the occurrence of diffuse scattering, satellite reflections or both. So far, diffuse scattering features have been linked to ordering of large cations in […]
Schmidt, E.M.
Mapping structure–property relationships in a 6-oxo-verdazyl radical by variable pressure crystallography and density functional theory 26/06/2026
The response of the 1,5-tolyl-3-phenyl-6-oxo-verdazyl radical (pTolOV) to pressure in the crystalline state has been investigated using both high-pressure X-ray diffraction techniques and density functional theory (DFT) calculations. Changes in structure, electronic properties such as band gap and density of states, and magnetic exchange interactions have been explored. Structural analysis reveals a phase transition between […]
Brookes, J.R.
High-pressure and high-temperature polymorphism of Na2CO3 up to 10 GPa 23/06/2026
We report two new high-pressure polymorphs of sodium carbonate, ɛ and ɛ-II, stable over ∼2 GPa and 11 GPa, respectively. The ɛ polymorph exhibits a doubling of the c unit-cell parameter relative to the γ and β phases, crystallizes in space group Cc, and has a bulk modulus of 47.6 (8) GPa, comparable to that of the γ phase. […]
Chrappan Soldavini, B.
Interaction Analysis using the Cambridge Structural Database – rapid access to intermolecular hydrogen-bond frequencies and uses for coformer selection 22/06/2026
A new methodology to perform virtual coformer screening, utilising data gathered on hydrogen-bonding interactions present in the organic subset of the Cambridge Structural Database (CSD), is presented. From a target molecule, commonly interacting functional groups are identified from the CSD and appropriate coformers, containing those functional groups, are suggested. The method, available as a script […]
Stevens, J.S.

ARTIGOS EM DESTAQUE

Open-access and free articles in IUCrJ

Open-access and free articles in Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

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