Articles tagged with Chemical Compounds
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.
Researchers used photons and electrons to create hollow gold nanoboxes, differing in material properties, and demonstrated that beam observation affects chemical reactions.
Researchers have developed a new technique for nanoscale infrared spectroscopy that allows for the analysis of individual biomolecules and catalysts in aqueous environments. The technique, called nanoscale infrared spectroscopy (s-SNOM), uses ultra-thin silicon-based membranes to protect the sample and allow for high-resolution measure...
Researchers found that a deep-sea protein, PoXeR, adapts to extreme pressure by forming a trimeric structure, which provides structural stability. The protein's ability to withstand pressure could lead to the development of light-responsive protein materials and improve understanding of how life adapts to deep-sea conditions.
Biodegradable plastics can be made tougher and more break down at a controlled rate by adjusting the size of movable molecular crosslinks. This study uses a biodegradable polymer called polycaprolactone and upcycles an industrial by-product into a supramolecular material.
Researchers have developed a custom liquid chromatography–isotope ratio mass spectrometry device capable of high-temperature, high-pressure combustion to analyze halogenated compounds. The method provides a new tool for source identification and fate analysis, contributing to effective management strategies.
A new study highlights the impact of coastal freshening on the giant amphipod species Paraceradocus miersi, which lose salts, gain water, and suffer gill damage in diluted waters. The research warns that continued freshening may pose a significant threat to many marine invertebrates and reshape the global ocean's communities.
Researchers purified and characterized four ζ-carotene isomers, revealing UV-A shielding and antioxidant activities. The study suggests ζ-carotene's potential as a natural ingredient for skin health and photoprotection.
Wiley launches its first Spectral Analysis API portfolio, extending its gold-standard spectral data and analytical intelligence into modern API-driven environments. This enables labs and platforms to integrate high-quality spectral intelligence directly into their workflows, reducing manual effort and increasing analysis speed.
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.
A UC Riverside-led study suggests that vanillin flavoring in e-cigarettes may disrupt the normal development of embryos in pregnant women who vape. Researchers found that high concentrations of vanillin can cause human embryonic stem cells to lose pluripotency and differentiate into endoderm, potentially leading to serious developmenta...
The new Wiley Registry/NIST Mass Spectral Library expands coverage to over 1.2 million spectra, enhancing the analysis of unknown chemical compounds in GC-MS workflows. This combined resource delivers high-confidence identification capabilities for leading laboratories worldwide.
Researchers developed a new environmentally friendly insecticide using nanoemulsions of diallyl disulfide and carvone, which showed enhanced toxicity against the adzuki bean beetle while having relatively low impact on parasitic wasps. The nanoemulsions were also safe on seeds and enhanced root growth.
Kyushu University researchers create a self-healing hydrogel packaging that tracks food spoilage through color changes, extending shelf life by 12 hours. The material can also repair itself, making it more durable and reliable in practical use.
Researchers have developed a new membrane technology that efficiently separates water from isopropanol, a widely used solvent in pharmaceuticals and electronics. The new membrane reduces energy consumption and improves purity levels, making it an attractive solution for a more climate-friendly chemical industry.
Researchers at UW-Madison have found a novel strategy for designing reactions that can access previously inaccessible molecule couplings. This new approach allows for the creation of strong reductants and aggressive sources of electrons, facilitating electron transfer selectivity and opening up new possibilities for synthetic chemistry.
Researchers are studying foul-smelling substances to understand what attracts the New World screwworm, a flesh-eating parasite, to its favorite meal - open wounds. The goal is to develop better lures for trapping this serious threat to the livestock industry.
Researchers develop air-stable surface electrene, BaSiN2:O, with ultralow work function and freely floating electrons. This material catalyzes ammonia synthesis under mild conditions, overcoming previous air instability limitations.
Researchers at Saitama University have developed a sequential annulation strategy to construct regioisomeric ladder-type oligothiophenes with precise control over thiophene ring orientation. This allows for the systematic synthesis of complex molecular structures, paving the way for the design of next-generation organic semiconductors.
Researchers develop a new strategy for producing negative thermal expansion (NTE) materials, enabling safer and more efficient synthesis. The approach combines reverse coprecipitation with oxidation in a single step, eliminating the need for harsh chemicals and reducing environmental impact.
Researchers found that wood frogs' adaptation to salty water increases their vulnerability to ranavirus, a common and fatal disease. The study highlights the hidden costs of survival in wildlife under environmental stress.
The NIST/EPA/NIH EI Mass Spectral Library 2026 and NIST MS/MS Spectral Library 2026 are now available in various formats, providing expanded GC-MS and LC-MS coverage for laboratories to analyze mass spectra with high confidence. These libraries support evolving analytical workflow needs and deliver broader coverage and flexibility.
A new study reveals common properties of eumelanin and natural organic matter, two substances responsible for Earth's pigments. The research could lead to more efficient solar power cells, longer-lasting batteries, and electronics.
Researchers found that non-thermal plasma prevents catalyst deactivation and maintains stable performance for 30 hours. The study links performance difference to changes in surface processes on the catalyst.
Researchers aim to create a physics-based forecasting tool that predicts degradation and durability of TiFe-based metal hydride vessels through a chemical and thermo-mechanical framework. The tool will enable accurate lifecycle assessments of solid-state hydrogen storage systems.
A new study uses AI to identify promising chemical compounds that could develop into effective antibiotics against multi-drug resistant Neisseria gonorrhoeae. The approach has the potential to address the growing crisis of antimicrobial resistance in this fast-evolving pathogen.
Scientists at TU Wien have designed a new sustainable route to ammonia synthesis using metal-organic frameworks (MOFs) as catalysts. By tuning the MOF structures, they can modulate their catalytic performance, providing valuable insights into more efficient and sustainable ammonia-production technologies.
The Acceleration Consortium and Structural Genomics Consortium collaborate to develop new drugs using AI-driven lab capabilities. The partnership aims to speed up the discovery of bioactive molecules, advancing human health and disease understanding.
The National Institute of Standards and Technology (NIST) has released an updated library of mass spectra, known as 'chemical fingerprints', for identifying unknown substances. The expanded library contains over 382,000 compounds, including 35,000 new additions.
A University of Cincinnati research team will examine how microplastics and nanoplastics accumulate in the body and affect cardiovascular health, with a focus on potential toxicity and worsening outcomes after a heart attack. The five-year study aims to advance understanding of microplastic impact on heart diseases.
Researchers at the University of Göttingen have developed a new method to make biomolecules glow in real-time, eliminating unwanted signals in microscopy. This approach ensures only labelled biological molecules emit fluorescence, making experiments clearer and easier to interpret.
The new edition of the Wiley Registry of Mass Spectral Data 2026 expands compound coverage to over 915,500 reference spectra, strengthening a foundational layer of scientific data and research intelligence. This expansion enables researchers to identify unknown chemical compounds and materials faster with confidence.
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 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.
Wagner's research aims to bridge the gap between molecular structure and mechanical properties, using machine learning to analyze entanglements in polymer chains. This could lead to designing more effective biomimetic tissue implants and other cutting-edge biomedical devices.
Researchers discovered that strokes cause a chain reaction within the brain, leading to neuronal cell death. They found that blocking collagen production can prevent this damage and even restore motor function in paralyzed monkeys. The new drug KDS12025 reduces hydrogen peroxide levels and prevents the entire process from being triggered.
A new framework, Synthegy, combines established search algorithms with artificial intelligence capable of interpreting chemical strategies expressed in natural language. This allows chemists to express their goals in plain language and receive strategically relevant solutions.
A new EU project study found that combined exposures to man-made chemicals can lead to measurable biological effects not explained by individual substances, underestimating overall risk. The research identified a continuous exposure pathway from environment to people, including breast milk and umbilical cord blood.
Wiley has released additional data to its IR and Raman spectral libraries, significantly broadening compound coverage. The new release includes mineral spectra from the American Museum of Natural History, supporting researchers in making informed scientific decisions.
Researchers at University of Wisconsin-Madison develop a systematic study for sustainable production of malonic acid via oxidation of 3-hydroxypropionic acid with a Pd/Carbon catalyst. The kinetic model validated the network, displaying excellent agreement and providing insight into conditions that maximize MA production.
Researchers have finally understood why reinforced rubber is so tough and durable, with tiny particles forcing the material to fight against its own incompressibility. This breakthrough could improve tire design and lead to safer, longer-lasting products.
A team of researchers from Pohang University of Science & Technology has identified the underlying cause of water's unique properties, solving a fundamental mystery in science. They have observed water's liquid-liquid critical point, which marks the transition from two distinct liquid states into a single supercritical liquid state.
A new study by researchers at the University of California, Davis found that breathing in common disinfectant chemicals known as QACs can be far more harmful than swallowing them. The study suggests higher health risks for respiratory diseases such as asthma and COPD from airborne exposure to disinfectant sprays and cleaning products.
A University of Michigan study suggests that scientists wearing nitrile and latex gloves while measuring microplastics may overestimate the amount of tiny pollutants in air, water, and samples. The researchers recommend using cleanroom gloves instead to minimize contamination with stearates.
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.
Researchers develop oxychar, a highly efficient, budget-friendly alternative to traditional charred organic materials for toxic cadmium removal. The new material soaks up both agricultural ammonia and cadmium, promising a practical win for sustainable farming.
The 2026 release expands coverage of emerging novel psychoactive substances, including synthetic cannabinoids, fentanyl analogs, and pharmaceutical drugs. The database provides comprehensive and up-to-date support for forensic, toxicology, and drug surveillance workflows.
Researchers developed a method to use PFAS to extract lithium from high-salinity brine pools, reducing environmental damage and costs. The process, which uses electrothermal heating, recovers 82% of lithium fluoride at 99% purity, outperforming traditional methods in terms of energy efficiency and water usage.
Researchers developed a new catalyst strategy that uses BaSi2 as a support for nickel and cobalt to decompose ammonia at lower temperatures. This enables high hydrogen-production activity at reduced temperatures, matching the performance of ruthenium while relying on Earth-abundant metals.
Researchers have developed a new chemistry-based strategy to localize therapeutic drugs to tumors, reducing harm to healthy tissues. The 'lock-and-key' system uses biorthogonal supramolecular chemistry to release drugs in specific locations, offering a potential path to safer and more precise cancer treatment.
Research by University of Missouri scientists found that road salt is deadly to freshwater snails when paired with the presence of predators, causing nearly 60% higher mortality rates. The study suggests practical solutions to reduce salt pollution in waterways, such as cutting road salt use by up to 50%.
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.
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 preclinical study shows that cannabidiol restores emotional behavior, reduces alcohol-related vulnerability, and reverses gut microbiota alterations caused by prenatal alcohol exposure. Female mice particularly benefited from CBD treatment, which normalized their emotional alterations and eliminated vulnerability to alcohol addiction.
MIT Energy Initiative researchers developed the largest combined dataset on global ammonia supply chains, examining economic and environmental impact of different scenarios. The study found that a full transition to clean ammonia production could cut greenhouse gas emissions by nearly 71% for a 23.2% cost increase.
Scientists developed a cost-effective method to produce 3-Hydroxypropanoic acid (3-HP), an industrial chemical used in disposable diapers, microplastics, and acrylic paint. The new process using engineered microbes to ferment plant sugars into 3-HP has been validated for commercial potential.
Researchers at Illinois Tech developed a new material with high ionic conductivity and low activation energy, enabling the efficient storage and release of energy. The material's unique structure allows lithium ions to move freely, even at cold temperatures, making it promising for applications in electric vehicles and energy storage.
A new digital and legally binding fingerprint developed at the University of Copenhagen makes products impossible to counterfeit. Royal Copenhagen is among the first brands in the world to use this solution, resulting in immediate transparency across their distribution chain.
Southwest Research Institute has upgraded its nuclear magnetic resonance (NMR) laboratory to provide robust chemical analysis of organic compounds used in drug discovery and development. The new facility enables rapid and cost-effective analysis using qNMR, which can be more efficient than HPLC for certain applications.