Articles tagged with Crystallography
Researchers developed a flexible metal–organic framework, APF-40, to analyze large pharmaceutical molecules with complex structures. The framework enables the determination of structures from microgram-scale samples, aiding drug discovery and natural products research.
Northwestern University chemists have developed a new approach that replaces traditional trial-and-error methods with intentional design using flexible DNA strands. The strategy enables precise control over protein connections, creating soft, flexible crystals with high structural order. This breakthrough simplifies one of structural b...
Researchers from the University of Toyama developed an OLED that incorporates a crystalline rubrene thin film, achieving higher current density and reduced luminance turn-on voltage. The study suggests that organic crystals with high charge-transport properties can be integrated into practical thin-film OLEDs.
A new layered crystal, TlFe1.6Se2, combines high thermoelectric power factor with exceptionally low thermal conductivity, offering a promising strategy for designing next-generation thermoelectric materials. The material's unique electronic properties and Fe-vacancy ordering enhance its performance.
Researchers develop annealable ferromagnetic icosahedral quasicrystals with unprecedented structural quality, revealing intrinsic magnetic properties and magnetic criticality. The discovery enables the first systematic investigations of quasiperiodic magnetism and magnetic criticality in QCs.
Researchers developed a one-pot synthesis strategy for hierarchical ZSM-5 catalysts that can improve catalyst lifetime during microwave-assisted catalytic pyrolysis of plastic waste. The study found that crystallization temperature strongly controlled the catalyst's pore structure, acidity, morphology, and lifetime.
Researchers at Texas A&M University develop a laser technique called TRIP to directly measure quantum forces shaping proteins, enabling accurate prediction of how pharmaceutical drugs interact with them. This breakthrough could lead to the design of medicines tailored to specific diseases, revolutionizing precision medicine.
Electron crystals, similar to atomic structures of crystals, can accumulate defects as they melt. Controlling the degree of melting may enable devices with neuromorphic computing and superconductors. The researchers found that electron crystals in metals can deform and melt, similar to physical solids, and their structure could be prec...
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...
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.
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.
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.
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.
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 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.
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 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.
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.
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.
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.
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.
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 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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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 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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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%.
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.
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.
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.
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.
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.
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.
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.