Articles tagged with Molecular Chemistry
New York University researchers have trained an AI model to predict stable tautomers in drug-like molecules, addressing a challenge in molecular design. The model, released as an open-source tool, can analyze large molecular libraries and identify correct tautomer assignments.
Molecular perovskite energetic materials have been developed as a new platform for multicomponent energetic crystals. The A-site can accommodate different organic cations, while the B-site and X-site can be replaced by different cations and energetic anions, allowing for the construction of diverse energetic crystals through component ...
Scientists systematically map the Biginelli reaction to uncover a previously unknown branch that produces complex bicyclic structures and molecules with unusual supramolecular behavior
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.
Scientists create new two-step annulative p-extension method for synthesizing structurally diverse nanographenes, including curved and non-planar structures. The research expands the toolbox for chemists to access rare molecular fragments with unique properties.
Researchers have developed a fast and simple way to turn lignin, a plentiful plant-based byproduct of the paper making industry, into potentially more valuable renewable chemicals. The new method uses tiny water droplets energized by sound waves to break down Kraft lignin in just 20 minutes at room temperature.
A new kinetic model couples lignin and hemicellulose dynamics to sharpen biorefinery predictions. The model uses controlled kinetics to release phenolic compounds and acetic acid gradually, turning lignin-derived inhibitors into measurable proxies for tracking bond cleavage.
Researchers used machine learning to analyze elemental composition of biochar and found hydrogen-to-carbon ratio and oxygen content to be key predictors of persistent free radicals concentration and radical type. The study provides a data-driven framework for linking elemental properties to biochar reactivity and environmental risks.
Researchers developed a new molecular editing strategy that relocates the nitrogen atom within the pyridine ring, creating positional isomers. This approach preserves substituents while altering properties such as solubility and interactions with biological targets.
Researchers at OIST have designed and synthesized new multi-functional compounds that change structure under UV light, exhibiting turn-ON fluorescence and bistability. These molecular switches have a range of desirable properties, making them suitable for applications in sensing, low-energy technologies, and responsive systems.
Researchers have developed a new hydrogel made from peptides that can transport ions, generate electrical signals when squeezed, or interact with cells and biological molecules. The gel has tiny water channels and is electrically polarized due to its highly organized structure made from nanofibers.
Researchers at Nagoya University have developed a method to modify the inside of molecules, creating chiral nanocarbons with unique shapes and properties. These new materials exhibit spiral-shaped light emission, multiple electrical charges, and gas storage capabilities.
A University of Houston chemist is uncovering how copper imbalances in neurons contribute to neurodegenerative diseases like Alzheimer's, Parkinson's, and ALS. The new imaging technique provides a closer look at individual protein behaviors inside living cells, giving researchers insight into the cellular pathways that fail.
A study by Chinese Academy of Sciences researchers identified a conserved molecular cascade that explains how drought and abscisic acid signaling trigger excessive Cd uptake in rice under water-saving regimes. The OsNAC4 transcription factor regulates grain Cd accumulation, and its functional knockout reduces Cd concentrations by 30-50...
Researchers have developed a biochar adsorbent that combines physical and chemical interactions to capture tetracycline molecules. The material showed high tetracycline adsorption capacity and good resistance to coexisting ions, suggesting potential for repeated operation.
Researchers developed an aerated hydrogel that allows air to pass through while maintaining its water content. This breakthrough enables longer-lasting products, such as breathable bandages, implants, and wearable sensors, with improved skin comfort and reduced sweat buildup.
Laser light controls molecular structures by triggering IR-induced isomerization, allowing for precise control over chemical reactions. The technique enables the measurement of molecular fingerprints and provides insight into fundamental dynamics governing chemistry.
Researchers at the University of Warwick and Monash University have uncovered a molecular basis for combinatorial biosynthesis, a strategy to create multiple versions of powerful cancer therapies. By understanding how bacterial enzymes interact, they can design new therapies with improved potency and selectivity.
A UNIGE team has developed a rapid and efficient method for identifying proteins molecule by molecule using nanopore technology and AI. The researchers used artificial intelligence to interpret the electrical signals produced by the nanopore, breaking them down into measurable characteristics that can be associated with specific proteins.
Researchers found that ROS-producing enzymes coordinate cell proliferation, tissue integrity, and differentiation in plants. The study used a liverwort model to examine the role of RBOHs in plant development, revealing their importance in maintaining normal cell shape and tissue organization.
Mayo Clinic researchers have discovered the molecular structure of protein kinase C beta (PKCβ), a key protein linked to cancer and neurological diseases. The findings provide a promising target for developing more precise therapies for these conditions, including breast cancer and Alzheimer's disease.
Researchers at The University of Hong Kong have developed a way to design polymers with precise molecular structures, allowing them to control material properties such as stiffness, strength, and elasticity. By introducing copper ions, the team can dynamically alter the rigidity of these materials.
Professor Tony James has been awarded Honorary Fellow of the Chinese Chemical Society in recognition of his significant contributions to fluorescence chemical sensing, molecular identification, and diagnostic chemistry. He is a renowned expert in supramolecular chemistry and chemical sensing with broad international influence.
By adding weak cross-linkers to polystyrene and a type of rubber used in shoe soles, MIT chemists have improved the ballistic impact resistance of these materials. The researchers found that these weak bonds selectively break at the site of impact, allowing the material to dissipate energy more effectively.
Scientists create a moiré metasurface to map right- and left-handed regions in materials, visualizing chirality as two-dimensional images. The new approach resolves chirality distributions with a resolution of approximately 100 μm.
Researchers developed a single-molecule platform to monitor asymmetric evolution in Diels-Alder reactions, revealing the molecular origin of reaction chirality. They proposed an excess-compensation mechanism for chiral amplification and achieved precise control over stereoselectivity and regioselectivity.
Researchers at Kyoto University developed a porous polymer gel that selectively recognizes specific molecules through coordination chemistry, triggering visible color change and deformation. The gel's mechanical properties also strengthened upon recognition of guest molecules.
Researchers from OIST have reported the first full structural characterization of a doubly ring-slipped reaction intermediate in metallocene formation. This discovery provides new evidence on how metallocenes form and react, presenting opportunities for designing tunable structures for applications such as drug delivery systems, cataly...
Researchers have developed a new synthesis method that enables precise control over chemical reactions at previously inaccessible sites on molecules. This breakthrough enables targeted modifications to carbon-hydrogen bonds, playing a key role in developing new drugs, functional materials, and more efficient chemical processes.
The partnership aims to generate evidence on the potential of MitoQ to slow or improve markers of biological ageing and support longevity. Mitochondria-targeted antioxidants like MitoQ are crucial in producing energy while reducing oxidative stress, a key contributor to ageing.
Complex systems exhibit emergent properties due to water's unique polarity, enabling DNA to store information and proteins to adopt specific structures. This order forms the basis for complex molecules to develop unpredictable properties, driving the evolution of life.
Researchers fine-tune a new type of glass made from metal-organic frameworks (MOFs) that efficiently trap gases like CO2 and hydrogen. The discovery provides a new design framework for making customized MOF glasses with tailored properties, enabling applications in gas separation, chemical storage, and advanced coatings.
Researchers from Nagoya University developed a two-step synthetic method for dihydrodinapthopentalenes, conductive organic molecules with complex synthesis. The new mechanochemical method synthesizes DHDPs in 15 minutes with minimal solvent waste and structural constraints.
Researchers identify previously unknown 'in-between' materials that can be used to design better solar fuels, batteries, and catalysis materials. The study reveals a series of hidden intermediate stages during heating, opening up new opportunities for material discovery and development.
Researchers develop substrate design strategy to selectively promote benzidine-type sigmatropic rearrangement of nitroarenes, enabling efficient synthesis of polyfunctionalized biaryls. The method achieves high yields without expensive transition-metal catalysts or complex prefunctionalization.
Researchers have developed a new methodology for selective molecular transformations of polycyclic aromatic hydrocarbons (PAHs), targeting the challenging L-region. This enables the creation of larger PAH structures and new nanographenes, increasing versatility in technological applications.
Researchers create molecular crystal with reversible color changes spanning from green to orange-red upon mechanical stress or pressure. The material exhibits adaptive intermolecular interactions and structural flexibility, enabling stimulus-responsive luminescence.
A team of chemists has found a simple way to attach the highly sought-after dichloromethyl group onto complex compounds using proline. This method enables the precise assembly of molecules with unparalleled purity and selectivity, simplifying the synthesis of complex drug compounds.
Researchers at Insilico Medicine have developed novel small molecular inhibitors and extremely selective PROTACs targeting the serine/threonine kinase PKMYT1. The discovery utilizes noncovalent interactions to achieve selectivity, masking hydrogen-bond donors that negatively affect permeability and solubility.
ISM6200 is a potent, potentially best-in-class preclinical candidate targeting NR3C1 for the treatment of ovarian cancer, Hypercortisolism (Cushing’s Syndrome), and other disorders related to excess cortisol. The molecule demonstrates low DDI risks and higher in vivo efficacy across multiple animal models.
Researchers created a new type of microporous aerogel that overcomes limitations of conventional materials, enabling flexible and highly processable shapes. The material's flexibility arises from reversible van der Waals interactions between metal–organic polyhedra molecules.
Researchers redesigned a key component of lipid nanoparticles to steer particles toward lymph nodes, reducing off-target delivery. This advancement could make mRNA vaccines more efficient, potentially achieving strong immune protection at lower doses.
A new commentary suggests that P3 peptide, a 'neglected cousin' of amyloid beta, may be a potential contributor to neurodegeneration and play a role in Alzheimer's disease progression. Research has shown that P3 can form amyloid deposits and interact with Aβ, potentially leading to increased toxicity and disease progression.
Researchers develop a multifunctional hydrogel system with broadband electromagnetic interference shielding and infrared stealth performance, exceeding that of commercial-grade materials under various harsh conditions. The gel's mechanical robustness and environmental stability are enhanced by a synergistic MXene treatment strategy.
Researchers at Flinders University have developed a new method to remove toxic PFAS chemicals from water using nano-sized molecular cages. The study successfully captures short-chain variants of the pollutants, which are notoriously difficult to isolate.
Researchers at Goethe University used X-ray radiation to determine the spatial structure of formic acid, finding that its atoms oscillate slightly back and forth. This 'quantum trembling' causes the molecule to lose its symmetry and become effectively three-dimensional at almost every moment.
The B-STING silica nanocomposite acts as a nanofactory of reactive oxygen species, activating itself in response to changes in the chemical environment. This material can be used to create biocidal coatings that are safe, durable, and resistant to dirt, with potential applications in medicine and other industries.
A team of researchers studied the effect of antisolvent addition rate and initial solute concentration on localized liquid-liquid phase separation in a ternary water/ethanol/butylparaben system. Their findings show that high antisolvent addition rates and high initial solute concentrations enhance the likelihood of LLPS, highlighting t...
Scientists at Northwestern University have determined the three-dimensional structures of rye pollen's cancer-fighting molecules, secalosides A and B. This breakthrough opens the door to exploring how these molecules interact with the immune system and could inspire new approaches to cancer therapy.
Researchers discovered that a significant drop in calcium levels in the ocean led to a massive decrease in carbon dioxide, driving global cooling and ending the planet's greenhouse era. The study suggests that changes in seawater chemistry played a key role in shaping climate history.
A new Junior Research Group at the University of Oldenburg aims to create fully biodegradable plastics from organic waste. The team will investigate various processes, including fermentation and downstreaming, to produce polybutylene succinate (PBS) based on polybutylene succinate.
The Nanalysis Edition of KnowItAll combines Wiley's analytical software platform with Nanalysis' specialized NMR database, streamlining spectral interpretation workflows for users. The tailored solution provides immediate access to reference spectra optimized for benchtop NMR instruments, expanding compound identification coverage.
Scientists have synthesised a new class of materials called state-independent electrolytes that allow negatively charged ions to move freely in solid and liquid states. This discovery opens possibilities for safer, lightweight solid-state devices with potential applications in batteries, sensors, and electrochromic devices.
A University of Houston chemist has received a nearly $2M grant to develop molecular blueprints for controlling how molecules change shape and reactivity upon absorbing light. This research could lead to breakthroughs in storing and using chemical energy, as well as designing materials that change when exposed to light.
Scientists have discovered a shape-shifting molecular valve in PANX1, a cellular gate that controls the flow of chemical messages. Researchers found that a common antimalarial drug can enhance or inhibit this gate's activity, paving the way for precision therapies.
Researchers developed a novel bioelectronic material that transforms from a rigid film to a soft, tissue-like interface upon hydration, enabling seamless integration with living tissues. The device, called THIN, has been shown to record biological signals with high fidelity and stability in animal experiments.
Researchers at Hokkaido University developed an environmentally friendly method to synthesize organosodium reagents using ball-milling mechanochemistry. This approach replaces traditional methods using highly reactive and toxic materials, offering a sustainable alternative in organic synthesis.
Extracellular vesicles can mediate communication between cells and tissues, influencing processes like immune signaling and cancer progression. Researchers have developed a practical, scalable EV-isolation platform that operates without preprocessing steps or specialized equipment.
Researchers have developed a new approach to overcome limitations in single-atom catalysts by creating one-dimensional organic polymers capable of selectively binding metal atoms. The platform marks a major advance in single atom catalysis, enabling stronger gas binding compared to other structures.
Researchers used quantum mechanical simulations to study the interaction of light with ice, revealing new insights into its chemical properties. The findings have implications for understanding the release of greenhouse gases from thawing permafrost and improving predictions of climate change.