Crystallography
Articles tagged with Crystallography
OpenBind’s first data and model release marks a milestone for AI enabled drug discovery
The UK-led OpenBind initiative has released its first publicly available dataset and predictive AI model, accelerating the discovery of new medicines using artificial intelligence. The release showcases high-quality, standardized experimental data and a trained predictive model, enabling researchers worldwide to drive the next generati...
University of Manchester Professor elected as Fellow of the Learned Society of Wales
Professor Apala Majumdar, a leading expert in mathematics, has been elected Fellow of the Learned Society of Wales for her outstanding contributions to research and innovation. She is one of 44 new Fellows recognized for their work benefiting Wales and beyond.
OU researcher sheds light on growth mechanisms of ice-like materials
Researchers discovered an unusual interfacial layer that promotes higher growth rates by adsorbing carbon dioxide molecules. The study aims to explore larger hydrate structures for technology development and address real-world problems such as CO2 containment and water desalination.
Towards tailor-made heat expansion-free materials for precision technology
Researchers from Tokyo Metropolitan University have discovered a hydrogen-absorbing material with negative thermal expansion properties, which can be tuned by adjusting the amount of hydrogen. This finding promises custom high-precision ingredients for precision nanotechnology, addressing volume changes in materials under heating.
Chimps’ love for crystals could help us understand our own ancestors’ fascination with these stones
Researchers investigated which characteristics of crystals made them fascinating to early humans, using experiments with chimpanzees. The chimps showed a strong attraction to transparent and crystalline properties, suggesting that this attraction may have deep evolutionary roots.
Shine a light, build a crystal
Researchers developed a simple and reversible method for forming crystals using light-sensitive molecules, allowing for precise control over particle attraction and repulsion. This enables the creation of adaptable materials with tunable properties, such as reconfigurable optical coatings and adaptive sensors.
University of Oklahoma researchers develop durable hybrid materials for faster radiation detection
University of Oklahoma researchers created new hybrid materials that emit light quickly when exposed to radiation. The materials combine the strengths of both organic and inorganic components, resulting in a five-fold increase in light emission efficiency compared to organic molecules alone.
Seeing the unseen: Scientists demonstrate dual-mode color generation from invisible light
Researchers develop a rigid organic crystal that emits red light under UV irradiation through excimer formation and generates green light through second harmonic generation under near-infrared exposure. The dual-mode optical behavior operates independently within the same crystal without interference.
Osaka Medical and Pharmaceutical University researchers capture real-time molecular movies of enzyme catalysis
Osaka Medical and Pharmaceutical University researchers have captured time-resolved structures of an enzyme during its catalytic cycle, revealing dynamics that are nearly impossible to observe by other methods. This breakthrough offers valuable insights into enzyme function and potential applications in molecular design of novel enzymes.
Magnetic ordering induces Jahn–Teller effect in spinel-type compounds
A team of researchers at Waseda University has discovered a new correlation between spins, orbitals, and lattice distortions in spinel-type compounds. Magnetic ordering can trigger Jahn-Teller distortions through spin-orbit coupling.
New superconducting thin film for quantum computer chips
Researchers at RIKEN Center for Emergent Matter Science have created a new superconducting thin film from iron telluride, suitable for quantum computing applications. The film's unique crystal structure, resulting from intentional misalignment of atomic layers, reduces lattice distortion and enables low-temperature superconductivity.
Absolutely metal: scientists capture footage of crystals growing in liquid metal
Researchers have successfully grown platinum crystals in liquid metal using a powerful X-ray technique. The study reveals the formation and growth of crystals within liquid metals like Gallium, which could be used to create new materials for hydrogen extraction and quantum computing applications.
Opening doors to smarter devices and safer drugs, UH crystals expert controls crystal formation
A UH crystals expert has shown how to bend and twist crystals without physical force, using a molecule called a tautomer. This discovery has potential applications in drug delivery and material properties, such as optoelectronics and soft robotics.
Acarbose degradation mechanism guides design of next-generation antidiabetic drug
Researchers revealed the molecular mechanism of acarbose degradation by acarbose-preferred glucosidase, identifying key nucleophiles and substrates. The two-step degradation mechanism involves an M1 intermediate, providing targets for designing novel anti-degradation diabetes therapeutics.
Scientists discover a new crystal that breathes oxygen
Scientists have discovered a new type of metal oxide that can breathe oxygen at relatively low temperatures. This unique ability makes it ideal for real-world applications in clean energy technologies, including fuel cells and energy-saving windows.
Decoding thermal behavior in crystals: Insights from thalidomide
A study from Waseda University reveals distinct differences between enantiomeric and racemic thalidomide crystals, with asymmetric and uniform thermal responses attributed to dimer symmetry. This research provides insights into chiral compound behavior and supports rational drug design.
‘No one had done this before’: Art, science and the surprising versatility of boron nitride nanotubes
Scientists at Rice University develop a new method to align boron nitride nanotubes (BNNTs) in water using a common surfactant, creating ordered liquid crystalline phases. The discovery enables the production of transparent, robust films ideal for thermal management and structural reinforcement applications.
Structure of the natural red pigment carmine revealed
Advanced electron crystallography techniques have revealed the unexpected structure of carmine, a natural red colouring agent. The substance has a well-defined, three-dimensional porous structure composed of two calcium ions, two aluminium ions, and four organic ligand molecules.
Exploiting the full potential of multiferroic materials for magnetic memory devices
Researchers demonstrate a new strategy for magnetization reversal in multiferroic materials, allowing for more energy-efficient electronics. The study achieves this breakthrough by growing thin films in an unconventional crystallographic orientation, enabling the application of electric fields perpendicular to the film surface.
Achieving a record-high Curie temperature in ferromagnetic semiconductor
Scientists develop high-quality (Ga,Fe)Sb ferromagnetic semiconductor with a record-high Curie temperature of up to 530 K, exceeding previous limits and enabling stable operation at room temperature. The material exhibits excellent crystallinity and superior magnetic properties, making it suitable for spintronics applications.
Metallic glass catalyst paves the way for efficient water splitting
Researchers designed a novel high-entropy metallic glass catalyst with intrinsic nanoscale phase separation, enabling selective dissolution and creating a three-dimensional nanoporous structure that remains amorphous. This results in abundant active sites and improved water splitting performance.
Gut enzyme Amuc_1547 acts as dual sensor for metal ions and carbohydrates, revealing new paths for metabolic disease therapies
Researchers deciphered Amuc_1547, a gut bacterium's sialidase enzyme that breaks down mucins to acquire energy. The enzyme's unique mechanism reveals new paths for treating metabolic diseases like obesity and inflammatory bowel disease.
With AI, researchers can now identify the smallest crystals
Researchers at Columbia University have developed an AI algorithm that can accurately determine the atomic structure of materials with minimal sample size. The technique uses diffusion generative modeling to augment the diffraction data from nanocrystals, enabling near-perfect reconstruction of the crystal's atomic-scale structure.
“Petrificus totalus!” — 3D-printed hydrogel switches from kPa-Soft to GPa-hard on command
Researchers at Zhejiang University developed a novel 3D-printed hydrogel that can easily switch its Young's modulus from kPa to GPa through on-demand crystallization. The hydrogel exhibits a hardness of 86.5 Shore D and a Young's modulus of 1.2 GPa, surpassing current 3D-printed hydrogels.
Physics meets art: a new twist on interference patterns
Researchers at The University of Tokyo have discovered a previously unseen moiré pattern in tungsten ditelluride bilayers, featuring one-dimensional bands. The pattern occurs at specific twist angles and has important implications for the optoelectronic properties of materials.
Flexible crystals reveal secrets of elasticity
Australian scientists have identified the origin of the restoring force in elastic crystals, allowing for the design of new hybrid materials. The study found that energy is stored in molecular interactions under compressive and expansive strain, enabling the crystal to return to its original shape.
Dynamics of structural transformation for liquid crystalline blue phases
Researchers have uncovered key insights about how liquid crystals transform between different phases using direct simulation and machine learning. This study provides a clearer understanding of the microscopic-level changes in these materials, which could lead to new possibilities for advanced materials development.
A ‘language’ for ML models to predict nanopore properties
A new language called STRONG encodes nanopore shape and structure, enabling machine learning models to predict their properties. This allows for efficient analysis of nanopores and opens up possibilities for gas separation and reducing carbon emissions.
Lehigh researchers pioneer customizable ceramics for next-gen technologies
Researchers at Lehigh University have pioneered a method to create customizable ceramics using solid-state synthesis, enabling advances in electronics and energy conversion. The team aims to produce functional materials with tailored geometries that can be used in thermoelectric devices and other applications.
Scientists discover a single-electron bond in a carbon-based compound
Researchers from Hokkaido University have discovered a stable single-electron covalent bond between two carbon atoms, validating a century-old theory and paving the way for further exploration of this type of bonding. The discovery was made using X-ray diffraction analysis and Raman spectroscopy.
Quality control: neatly arranging crystal growth to make fine thin films
A team from Osaka Metropolitan University has created a way to control the growth of crystals on metal-organic frameworks thin films, reducing light scattering and resulting in high-quality films. These advanced films are expected to be used as optical sensors, optical elements, and transparent gas adsorption sheets.
Surfaces on the move: dynamic liquefaction
RMIT researchers have found that the liquid-solid boundary can fluctuate back and forth, with metallic atoms near the surface breaking free from their crystal lattice. The phenomenon occurs at unexpectedly low temperatures and is observed up to 100 atoms in depth.
Automated calculation of surface properties in crystals
Scientists create high-throughput automation to calculate surface properties of crystalline materials using established laws of physics. This accelerates the search for relevant materials for applications in energy conversion, production, and storage.
High speed protein movies to aid drug design
Researchers at the University of Southampton have developed a method for fast mixing using droplet microfluidics, allowing for the creation of 'movies' of proteins in action. This enables scientists to observe proteins in motion and gain insights into their function.
Deep learning reveals molecular secrets of explosive perchlorate salts
Researchers developed a novel deep learning method to study crystal structure and molecular interactions of perchlorate salts. The analysis revealed that the explosives' nature is linked to chemical bonding and intermolecular interactions.
Imaging the smallest atoms provides insights into an enzyme's unusual biochemistry
A team at Osaka University used neutron crystallography to image the atom-by-atom structure of a copper amine oxidase enzyme, revealing unprecedented structural insights. The study provided details on the protonation/deprotonation state and motions of key cofactors, facilitating single-electron transfer.
Making molecules dance to our tune reveals what drives their first movements
A new technique combining ultrafast physics and spectroscopy reveals the dance of molecular 'coherence' in unprecedented clarity. This shows a vibrational effect, rather than motion for the functional part of the biological reaction that follows.
Tiny proteins found across the animal kingdom play a key role in cancer spread
Researchers at McGill University discovered that phosphatases of regenerating liver (PRLs) are overexpressed in some cancers, making cells more metastatic and driving disease progression. The study sheds light on PRLs' role in binding magnesium transporters, a common pathway among all studied species.
Time-resolved crystallography for the masses
The Spitrobot simplifies sample preparation for time-resolved crystallography, allowing non-specialist groups to conduct experiments that previously required expert expertise. This technology accelerates research in enzymatic mechanisms and enables broader applications in biotechnology and disease-related problems.
XFELs show the final milliseconds of oxygen formation
Researchers have visualized the crucial final step of oxygen formation in Photosystem II, a protein complex that powers photosynthesis. The study provides new insights into the interaction between the protein environment and the Mn/Ca cluster, shedding light on the mechanism behind water-splitting and oxygen production.
New crystal growth orientation method manipulated materials properties
A new solid-state crystal growth (SSCG) technique has been developed to manipulate materials' properties by controlling crystallographic orientation. This method allows for large single crystals with desired orientations to be grown easily and inexpensively.
Artificial intelligence deciphers detector "clouds" to accelerate materials research
Researchers used AI to automate the process of analyzing X-ray snapshots of materials, accelerating the technique by ten times on its own and 100 times with improved hardware. The new method can extract information from a range of previously inaccessible materials, including high-temperature superconductors and quantum spin liquids.
New study unveils vertically oriented 2D ruddlesden–popper phase perovskite passivation layer for efficient and stable inverted PSCS
Researchers have developed a vertically oriented 2D Ruddlesden–Popper phase perovskite passivation layer for efficient and stable inverted PSCs. The new design achieved a champion PCE of 21.4% in devices with outstanding humidity and thermal stability.
Researchers uncover how to 3D-print one of the strongest stainless steels
A team of researchers from NIST, UW-Madison, and Argonne National Laboratory identified key compositions that enable consistent 3D-printing of 17-4 PH stainless steel with favorable properties. The new findings could help producers cut costs and increase manufacturing flexibility.
Natural substances show promise against coronavirus
Researchers have identified three natural compounds that bind to a key enzyme in the coronavirus, potentially blocking its replication. Hydroxyethylphenol, hydroxybenzaldehyde, and methyldihydroxybenzoate showed reduced activity against the papain-like protease enzyme, with effects ranging from 50-70%.
Order up: new study reveals importance of liquid structural ordering in crystallization
Researchers from the Institute of Industrial Science, The University of Tokyo, found that preordering significantly influences crystal growth and nucleation. Their study proposes modifications to address shortcomings in classical nucleation theory.
Complexity of crystallization amazes physicists
Researchers discovered that certain liquid crystals form multiple chiral smectic phases and exhibit complex crystallization processes. Slow cooling can lead to crystallization, while fast cooling promotes vitrification. Cold crystallization occurs when the sample is heated, and its kinetics are controlled by diffusion rates.
Computational sleuthing confirms first 3D quantum spin liquid
Researchers use computational detective work to verify the existence of a 3D quantum spin liquid in cerium zirconium pyrochlore, overcoming decades-long challenge. The material exhibits fractionalized spin excitations, where electrons do not arrange their spins in relation to neighbors.
How equal charges in enzymes control biochemical reactions
A new study reveals that two equal charges in enzymes do not repel each other, but instead attract, facilitating chemical reactions. The researchers used protein crystallography to obtain a structural snapshot of the substrate before the reaction and found an attractive interaction between the enzyme and substrate.
CSD-Materials suite provides a cohesive analysis of solid form properties for early-phase drug discovery
The CSD-Materials suite provides a comprehensive analysis of solid form properties, helping researchers explore intra- and intermolecular interactions. The suite's components, including Hydrogen Bond Propensity, Full Interaction Maps, and Aromatics Analyser, aid in identifying potential co-former or solvent interactions for new APIs.
Discovered: An easier way to create "flexible diamonds"
A team of scientists led by Samuel Dunning has developed an original technique to predict and guide the ordered creation of strong, yet flexible, diamond nanothreads. The innovation allows for easier synthesis of the material, which has potential applications in space elevators, ultra-strong fabrics, and other fields.
Is your ML training set biased? How to develop new drugs based on merged datasets
Researchers at GlaxoSmithKline and CCDC combined proprietary and published datasets to train machine learning models for predicting stable polymorphs in new drug candidates. The approach leverages the large volume and variety of data in the Cambridge Structural Database, resulting in more confident predictions and improved model accuracy.
New opportunities for light-powered battery and fuel cell design
Researchers from the University of Tsukuba have discovered that ultraviolet light can modulate oxide ion transport in a perovskite crystal at room temperature. This enables the enhancement of future battery and fuel cell functionality by increasing energy storage and output efficiency.
The Gwangju Institute of Science and Technology study examines thin film surface symmetries
Researchers at GIST develop a non-contact, nondestructive approach to characterize crystal structures in thin films, shedding light on surface symmetries in SrRuO3. The technique offers a platform for structural characterization of surfaces and interfaces using optical techniques.
Siddha Pimputkar recognized for early-career success in crystal growth
Siddha Pimputkar, an assistant professor at Lehigh University, has received the American Association for Crystal Growth (AACG) Young Scientist Award for his outstanding contributions to crystal growth. His research focuses on synthesizing bulk and thin-film single-crystal nitrogen-containing materials.
Pressure suppresses carrier trapping in 2D halide perovskite
A team of researchers found that applying pressure to a 2D halide perovskite suppressed carrier trapping and led to enhanced emission. The findings show a new phase with higher crystallographic symmetry and fewer trap states was formed after pressure treatment.
A major step closer to a viable recording material for future hard disk drives
A group of researchers in India has developed an iron-platinum alloy that can overcome the thermal stability issues limiting its use as a material for future hard disk drives. By tweaking the L10 phase, they achieved a significant enhancement of the transformation rate and reduced the ordering temperature below 300 degrees C.
Stress of stretching solids: 3D image shows how particles distribute in metals
Using 3D crystallography, researchers at Nagoya Institute of Technology study how particles shape up metal composites. They found that controlling particle distribution can improve the composite's strength and ductility, leading to better materials for applications like bridge suspension wires.
Development of new techniques to understand marble quality and durability
Researchers have developed new methods to analyze marble intrinsic features, petrography, and physical properties to predict durability and changeability. The study aims to identify the most suitable marbles for construction purposes and prevent decay in European buildings.