Researchers used 3D printing to create optimized milling jars for X-ray powder diffraction experiments. The new design improves background and angular resolution, reducing scattering from jar walls and milling balls.
Researchers studied halogen-bonding interactions in co-crystals with bromide ions, leading to honeycomb structures and variable geometry. The findings suggest potential gas storage applications and facilitate directional multidentate interactions.
A new facility at Diamond Light Source allows for long-term experiments (weeks to years) in parallel, detecting phase evolution and structural changes. This addresses the need for studying slow processes like material hydration and metal-organic framework stability.
Radiation damage hinders SAXS experiments' success due to protein aggregation and fragmentation. A new software, RADDOSE-3D extensions, calculates doses for SAXS experiments, reducing manual burden and assessing radioprotectant efficacy.
Researchers used microseeding technique to overcome hemihedral twinning in protein crystals. The method successfully produced untwinned crystals of LigM, leading to improved crystal structure determination.
Researchers study organizing principles behind high Z' crystal structures to understand material properties like solubility and bioavailability. By analyzing complex structures, they identify organization principles tied to chemical molecule details.
Scientists have developed haptic interfaces to enhance collaboration and data analysis in X-ray crystallography. The technology enables real-time visualization and classification of experimental crystallization data on a cloud-based database, streamlining the process and reducing manual effort.
A public database of macromolecular diffraction experiments has been developed to archive raw data and metadata from X-ray crystallographic studies. The resource contains 3070 experiments with partially curated metadata, aiming to improve protein structure-determination methods and ensure the availability of orphan data.
A comprehensive digital database of magnetic structures, MAGNDATA, has been developed using systematic application of magnetic symmetry. The database contains over 400 commensurate and incommensurate magnetic structures, providing a standardized framework for description and storage of magnetic structures.
Current methods for determining compound chirality rely on X-ray diffraction and computer analysis. Recent advancements have improved the accuracy of absolute structure assignment, enabling reliable results for compounds containing heavy atoms.
Researchers used neutron crystallography to study the binding of acetazolamide to human carbonic anhydrase isoform II, gaining insights into H-bonding networks and hydrophobic interactions. This technique provides missing details that X-ray crystallography couldn't capture, enabling more effective drug design.
Researchers have successfully fabricated a millimeter-sized chip capable of splitting a beam of X-rays. The chip features fork-shaped channels that efficiently transport and split the beam, producing interference patterns similar to those in classical Young's double-slit experiments.
Researchers have developed hybrid pixel array detectors that can achieve low noise for single-photon detection and spectroscopic imaging. The new technology uses standard components, enabling the creation of larger and more optimized systems.
Researchers have developed a new method to determine the structures of nanocrystalline pharmaceuticals, reducing radiation damage and allowing for study at room temperature. The approach uses low-dose electron diffraction with a high-sensitivity detector, enabling the collection of high-quality data for direct crystallography methods.
This review article presents an extended study on the crystal and magnetic structure of multiferroic hexagonal manganite RMnO3, which exhibits ferroelectric and magnetic orders. The research highlights the importance of strong interactions between these orders, leading to unique properties.
Researchers propose using twisted X-rays to study non-crystalline but symmetric structures like helices. This method matches the symmetry of incoming radiation to the structure's symmetry, producing sharp peaks in diffraction data that can be used for accurate structure prediction.
Complex engineered materials pose significant structural challenges due to non-periodic and disordered atomic structures. A new approach combining experimental and theoretical tools is required to obtain unique solutions.
A new tool, phenix.diffuse, enables calculating diffuse scattering from Protein Data Bank-formatted structural ensembles, addressing the need for computational modelling and validation tools. The technique helps extract evidence of concerted motion in single crystal forms, where high-quality data sets are limited by long X-ray exposures.
A new method called Phantom Derivative (PhD) has been developed to determine complex structures with limited experimental data. PhD is a competitive approach in protein crystallography, producing results comparable to existing techniques like density-modification and Vive la Difference.
Researchers design multicomponent materials by combining molecular and structural properties to form a 3D architecture. The spatial distribution of molecules and electronic properties of building blocks significantly impact optical properties. The study demonstrates the feasibility of using active pharmaceutical ingredients as building...
Researchers have developed new approaches to estimate overall solvent content, model disordered bulk solvent, and identify distinct electron density of ordered solvent molecules in macromolecular crystals. Advanced models are needed to improve understanding of the protein-solvent interface region.
The article explores aperiodic crystals and their implications on our understanding of crystalline order. Recent research has shown that the current definition of crystals, based on point-like diffraction, may need revision as new materials with non-trivial point components in their diffraction are discovered.
Researchers demonstrate a novel approach for generating new phases using high-pressure crystallographic studies of molecular materials. The study reveals the structural changes in α-Co(dca)2 under pressure, shedding light on its correlation with magnetic properties.
Researchers combined powder diffraction data with electron crystallography to solve modulated structures. The technique provides unprecedented detail down to sub-angstrom resolution, improving the reliability of crystal structure investigation.
Researchers Luigi D'Ascenzo and Pascal Auffinger classify 17 carboxyl(ate) motifs in crystal structures using stereochemical considerations. They provide a systematic naming system and implications for crystal engineering, pharmaceutical research, and biomolecular sciences.
Fluctuation X-ray scattering measures molecules at short timescales to reveal structural insights into biological molecules and materials. The technique improves upon traditional small-angle X-ray scattering, providing greater detail from limited datasets.
Researchers investigated MDMA's behavior under extreme pressure, finding no change in polymorph despite elevated pressures. The study suggests that non-hydrostatic conditions may lead to a polymorphic change.
Researchers have discovered a protein in halophilic microbes that can selectively bind to caesium ions, providing potential for bioremediation of radioactive isotopes. The team plans to engineer this protein into plants to absorb and extract caesium from contaminated soil.
Researchers have developed a novel nucleating agent that improves crystal quality for reluctant proteins and boosts the probability of success in high-throughput trials. The modified molecularly imprinted polymer (MIP) is suitable for automated optimization, making it a potent tool for structural biologists.
Researchers have clarified the compound's phases, thermal expansion and hydrogen bonds, shedding new light on its properties. The study uses advanced methods to determine the crystal structure and electronic structure of ammonium carbonate monohydrate.
The new SHELXT program solves the phase problem for single-crystal reflection data using a novel dual-space algorithm, extending resolution and accommodating missing data. With high success rates, it has already solved thousands of structures.
The Curiosity rover has taken samples of Martian rocks and soils using the CheMin instrument, which has provided insights into processes on Mars. The analysis reveals a complex mineralogy, including aqueous alteration and hydrated sulphates.
Researchers successfully analyzed all known complete proteomes using X-ray crystallography and homology modeling, covering 25% of protein clusters. The study highlights the potential for knowledge-based target selection to increase structural model production, particularly in eukaryotes and archaea.
The MAX IV facility in Lund, Sweden is developing a storage-ring synchrotron system that will enable new experiments requiring high source brightness and transverse coherence. The system's design challenges include compact magnets and low-vacuum chambers, which require innovative solutions to overcome technical issues.
A group of scientists from the US used atomic-resolution Z-contrast imaging and X-ray spectroscopy to analyze two types of dislocations in CdTe, a binary II-VI semiconductor. The study could lead to improved conversion efficiency in CdTe solar cells and advance understanding of crystal structure defects.
Advances in X-ray technology enabled refinement of previously intractable proteins like the ribosome and viruses. The Deformable Elastic Network (DEN) approach optimizes protein structure prediction by adjusting features to fit diffraction data, reducing ambiguities.
A team of scientists at UVA has obtained the crystal structure of a key Ebola virus protein, revealing a novel tertiary fold that could lead to insights into viral assembly and antiviral drug design. The study's results may provide a potential target for the development of new treatments for Ebola hemorrhagic fever.
Scientists have identified key regions of the Cwp84 enzyme that could be targeted by drugs to prevent Clostridium difficile colonization and toxin production. The research may lead to the development of a new type of anti-colonization inhibitor to treat C. difficile infection.
A group of scientists have revealed the structure of two proteins involved in liver and colon cancers, opening up research opportunities for drugs that can inhibit cancer cell growth. By blocking a specific region of these proteins, it is possible to prevent tumour cell reproduction without affecting other life-sustaining functions.
Alicia Boole Stott and Ludwig Schlaefli showed that six platonic solids have four-dimensional counterparts, featuring strange symmetries. The spinorial construction explains these symmetries, shedding new light on both three- and four-dimensional geometries.
Researchers develop a crowdsourcing game to tackle the phase problem, achieving successful results in low-resolution phasing puzzles. The approach leverages human pattern recognition capabilities to guide the search process.
The study's findings highlight the importance of API hydration in determining physical properties, such as stability and solubility. The research provides valuable insights into the mechanistic relationships between dehydration stages and lattice structure changes.
Scientists have developed a method to study protein crystals inside cells using X-ray analysis, bypassing complex sample preparation. This breakthrough enables the analysis of micron-scale in vivo samples with improved signal-to-noise ratio.
Researchers have resolved the crystal structure of sulfamidase, a key enzyme in Sanfilippo A syndrome. The discovery provides insights into the molecular consequences of genetic mutations and will aid in developing novel therapeutic molecules to manage the devastating disease.
Rotational X-ray tracking (RXT) measures slow dynamics in disordered systems, overcoming limitations of previous techniques. The new method reveals unique rotational motion and nanoscale elastic properties of gel networks.
Researchers have developed a novel method to help doctors diagnose and treat kidney stones more effectively. By analyzing the behavior of nanocrystals and crystallites under different chemical conditions, they found that certain methods can reduce stone size and change its shape, improving treatment outcomes.
Researchers developed new mathematical tools to understand virus symmetry, revealing insights into viral genome and protein capsid interaction. This work also applies to carbon onions, providing a basis for nanotechnology applications.
Researchers in France have developed a new technique for studying solar panel absorber materials, which could lead to non-toxic and readily available alternatives. The technique involves resonant diffraction of single crystals, allowing for the creation of high-quality material samples.
Researchers in China have developed a convenient way to selectively prepare germanium sulfide nanostructures, including nanosheets and nanowires. These nanostructures show outstanding photoresponsive behavior, indicating their potential use in solar energy conversion systems and optoelectronics.