Phys.org Chemistry

• Quantum-centric supercomputing simulates supramolecular interactions

  A team led by Cleveland Clinic's Kenneth Merz, Ph.D., and IBM's Antonio Mezzacapo, Ph.D., is developing quantum computing methods to simulate and study supramolecular processes that guide how entire molecules interact with each other.

• Researchers decode the chemistry behind a deadly genetic disorder

  Northeastern University researchers used an original machine learning tool to predict how genetic mutations cause a rare metabolic disease known as OTC deficiency, uncovering some underlying biochemical mechanisms at play and laying the groundwork for future treatments.

• New theory promises faster, more accurate predictions of chemical reaction energetics

  Researchers at the University of Illinois Urbana-Champaign have developed a new theoretical framework that could dramatically reduce the cost and complexity of predicting chemical reaction energetics without sacrificing accuracy. Led by chemical and biomolecular engineering professor Alexander V. Mironenko, the team introduces a method that may one day replace the current computational models used in quantum chemistry.

• Mapping the future: AI deciphers alloy microstructures to enhance properties prediction and design

  In a world of 8 billion people, there's one thing that makes each of us unique: our fingerprints. A variety of genetic and environmental factors create tiny variations in the skin's ridges and whorls, such that no two prints are the same.

• New synthesis strategy for (–)-gukulenin A reveals the chemistry behind its anticancer effects

  A team of researchers from Yale University, U.S., successfully achieved the first stereoselective synthesis of the complex natural product (–)-gukulenin A (7), which exhibits notable cytotoxicity against ovarian cancer.

• Interpretable AI reveals key atomic traits for efficient hydrogen storage in metal hydrides

  Hydrogen fuels represent a clean energy option, but a major hurdle in making its use more mainstream is efficient storage. Hydrogen storage requires either extremely high-pressure tanks or extremely cold temperatures, which means that storage alone consumes a lot of energy. This is why metal hydrides, which can store hydrogen more efficiently, are such a promising option.

• From artificial organs to advanced batteries: A breakthrough 3D-printable polymer

  A new type of 3D-printable material that gets along with the body's immune system, pioneered by a University of Virginia research team, could lead to safer medical technology for organ transplants and drug delivery systems. It could also improve battery technologies.

• Open-access tool navigates expanding world of metal–organic frameworks for easier discovery

  A new open-access tool created by University of Toronto Engineering researchers provides a systematic way to organize and synthesize knowledge about metal–organic frameworks (MOFs)—a class of materials with applications in drug delivery, catalysis, carbon capture and more.

• Interface-driven catalyst design combines clean hydrogen production and urea conversion

  Prof. Pi-Tai Chou's group at National Taiwan University Department of Chemistry has created a catalyst that turns two challenges into one solution: it produces clean hydrogen with remarkable efficiency while breaking down urea with ease. This breakthrough not only lowers the energy cost of hydrogen but also helps eliminate harmful pollutants.

• New technique enables faster drug design for diseases linked to ion channels

  An international team involving the Institute of Chemical Research, a joint center of the University of Seville and the Spanish National Research Council, has developed a new technique that will accelerate the design of drugs that target ion channels, a type of cell membrane protein involved in numerous diseases, ranging from psychiatric disorders to various types of cancer.

• Selective PET recycling: Iron catalyst and alcohols convert bottles and textiles into valuable compounds

  Professor Kotohiro Nomura's research group at Tokyo Metropolitan University has developed an efficient method for the exclusive depolymerization of PET (polyethylene terephthalate), PET bottles and textile wastes, using alcohols and an inexpensive, readily available and Earth-abundant iron catalyst. This method can provide a new possibility for the selective chemical conversion of polyester, an important key technology for the circular economy.

• Catalyst turns methane into bioactive compounds for the first time

  Natural gas—one of the planet's most abundant energy sources—is primarily composed of methane, ethane, and propane. While it is widely burned for energy, producing greenhouse gas emissions, scientists and industries have long sought ways to directly convert these hydrocarbons into valuable chemicals. However, their extreme stability and low reactivity have posed a formidable challenge, limiting their use as sustainable feedstocks for the chemical industry.

• Algorithms reveal how propane becomes propylene for everyday products

  Countless everyday products, from plastic squeeze bottles to outdoor furniture, are derived by first turning propane into propylene.

• Machine learning teaches membranes to sort by chemical affinity

  Ultrafiltration membranes used in pharmaceutical manufacturing and other industrial processes have long relied on separating molecules by size. Now, Cornell researchers have created porous materials that filter molecules by their chemical makeup.

• Imaging method pinpoints microplastics in intact human tissue samples

  While microplastic pollution continues to advance, research into its possible effects on health remains hampered by technical hurdles. To date, there are no suitable methods for precisely identifying the particles in the body without destroying tissue. As part of two research projects, a team of scientists from MedUni Vienna, together with partner institutions, has now established a new method that locates microplastics in tissue in a non-destructive and spatially resolved manner—i.e., in such a way that the exact location of the particles within the intact tissue structure remains visible.

• Gas-switch reduction enables alloying in supported catalysts

  Supported catalysts are systems in which the active catalytic materials, such as metals, are dispersed on a solid support material, such as alumina, silica, etc. These catalysts are widely used in various chemical processes. Several methods are available for preparing supported catalysts.

• Baker's yeast carrier makes bee propolis a more potent medicine, study finds

  A team of researchers from the University of Chemistry and Technology in Prague has developed a novel method to enhance the natural healing properties of bee propolis, a potent remedy known for its antibacterial, antioxidant, and anti-inflammatory effects.

• Mushroom material takes on plastic packaging at Belgian start-up

  On a gleaming new production line in Brussels, Julien Jacquet shows off a row of milky-white soap bar wrappers—made by what is billed as Europe's first factory for mushroom-based packaging.

• Red lactate biosensor opens the door for simultaneous monitoring of neuronal metabolism and activity

  Scientists from Academia Sinica and National Taiwan University, together with international collaborators, have developed a high-performance red fluorescent biosensor for lactate (lactic acid). The new biosensor, named R-eLACCO2, allows researchers to visualize how lactate levels change in real time inside living mice. When used alongside a green fluorescent biosensor, it opens up new possibilities for studying how metabolism and brain activity interact. The study is published in Nature Communications.

• Sunscreen plus bleach: The surprising chemistry behind stubborn red laundry stains

  Have you ever tried bleaching sunscreen stains on clothing, only to be left with bright red results? Professor Clare Mahon, from the Durham University Department of Chemistry, did just this and the scarlet staining instantly intrigued her.

• 'Switchbody' turns enzyme activity on with antibody–antigen binding

  By fusing enzyme fragments to antibodies, researchers from the Institute of Science Tokyo, in Japan, developed an innovative enzyme switch called "Switchbody," which is activated when bound to its target antigen. Switchbody is based on a trap-and-release of enzyme fragment that dynamically controls enzyme activity, offering new opportunities in diagnostics, therapeutics, and precision bioprocessing.

• Gas-impermeable polymer film promises durable coatings for electronics, infrastructure and packaging

  MIT researchers have developed a lightweight polymer film that is nearly impenetrable to gas molecules, raising the possibility that it could be used as a protective coating to prevent solar cells and other infrastructure from corrosion, and to slow the aging of packaged food and medicines.

• Researchers upcycle fermentation waste into vegetable sanitizer

  Texas A&M AgriLife Research scientists in the Department of Food Science and Technology have found a way to make fresh produce safer by using what most would throw away. They discovered that leftover liquid from probiotic fermentation, known as culture waste broth, can be upcycled to fight foodborne pathogens.

• New enzyme network with competing peptides can make decisions based on external environment

  The ability to respond to changing surroundings was once considered exclusive to complex living organisms. Then came computers, specially designed for stimulus–response tasks, which can take in signals from their environment and choose what to do next based on the instructions already written into them.

• Automated high-throughput system developed to generate structural materials databases

  A NIMS research team has developed an automated high-throughput system capable of generating datasets from a single sample of a superalloy used in aircraft engines. The system successfully produced an experimental dataset containing several thousand records—each consisting of interconnected processing conditions, microstructural features and resulting yield strengths (referred to as "Process–Structure–Property datasets" below)—in just 13 days.