Phys.org Chemistry

• Advanced algorithm to study catalysts on material surfaces could lead to better batteries

  A new algorithm opens the door for using artificial intelligence and machine learning to study the interactions that happen on the surface of materials.

• Researchers reveal new role of vitamin C precursor in enhancing plant growth and the production of bioactive compounds

  Scientists from the Institute of Applied Ecology of the Chinese Academy of Sciences have discovered a promising new use for a key intermediate in vitamin C production, demonstrating its potential to enhance plant growth and increase the accumulation of valuable bioactive compounds.

• Ultrafast membrane reactor developed for cleaner, more efficient beta-blocker production

  Chinese scientists have developed a breakthrough process that significantly improves the efficiency and environmental friendliness of beta-blocker production—with a focus on the widely used compound propranolol, which plays a vital role in managing cardiovascular conditions such as hypertension, arrhythmia, and angina.

• Light-powered reactions could make the chemical manufacturing industry more energy-efficient

  Manufactured chemicals and materials are necessary for practically every aspect of daily life, from life-saving pharmaceuticals to plastics, fuels and fertilizers. Yet manufacturing these important chemicals comes at a steep energy cost.

• Efficient organic photoredox catalyst enables greener chemical production at room temperature

  Colorado State University researchers have published a paper in Science that describes a new and more efficient light-based process for transforming fossil fuels into useful modern chemicals. In it, they report that their organic photoredox catalysis system is effective, even at room temperature. That advantage could lower energy demands around chemical manufacturing in a variety of instances and could also reduce associated pollution, among other benefits.

• AI helps narrow 8,000 catalyst options down to one that supercharges green ammonia

  Scientists and engineers at UNSW Sydney, who previously developed a method for making green ammonia, have now turned to artificial intelligence and machine learning to make the process even more efficient.

• Chemical 'staples' help collagen resist unraveling and repair itself after being heated

  Simon Fraser University (SFU) research is yielding new insights into one of the most perplexing properties of collagen. A paper in Proceedings of the National Academy of Sciences by physics professor Nancy Forde and postdoctoral researcher Alaa Al-Shaer describes key molecular features that help enable this notoriously unstable protein to maintain its structure.

• Hidden role of hydrogen—study reveals how atom position controls molecular breakdown pathways

  Imidazoles and triazoles are essential chemical compounds used in many medicines, including drugs used to defeat various pathogen-induced infections and cancer. Besides these applications, both imidazoles and triazoles are used not only in humans but also to protect crops against fungi.

• Mixing two or three alkyl-π liquids can achieve the right combination of functions for soft electronics

  Soft electronics are an exciting and innovative class of technology that brings together bendable, stretchable semiconducting materials for applications in areas ranging from fashion to health care. Researchers have recently developed a new technique to adjust the properties of liquids that could be used to create soft electronics.

• Green chemistry research yields a safer method for synthesizing fluoride complexes

  Chemical synthesis lies at the heart of modern science and technology, enabling the creation of various pharmaceuticals, agrochemicals, and functional materials. While the demand for chemical synthesis grows with scientific advancements, it comes with the costs of environmental pollution and hazardous waste. To combat the same, researchers are now turning towards sustainable alternatives using green chemistry approaches.

• Biohybrid molecule uses light-driven electrons to efficiently produce hydrogen

  Natural hydrogen-producing enzymes are large and extremely sensitive to oxygen. This makes it difficult to use them for the applied production of green hydrogen. Researchers from the Photobiotechnology group at Ruhr University Bochum and partners at the University of Potsdam, Germany, have found a way to bypass this problem: They transferred the iron-containing catalytic center of one such enzyme—[FeFe]-hydrogenase—into a ferredoxin.

• Sustainable, manganese-based phosphors show promise for white-light LEDs

  Virtually all light-emitting diodes used today require phosphors based on so-called rare-earth elements, which are expensive and challenging to obtain. In a collaborative research project between Heinrich Heine University Düsseldorf (HHU) and the University of Innsbruck, chemists have now demonstrated that the element manganese is in principle also suitable for such applications.

• Supercomputer simulations show how to speed up chemical reaction rates at air-water interface

  Using the now-decommissioned Summit supercomputer, researchers at the Department of Energy's Oak Ridge National Laboratory ran the largest and most accurate molecular dynamics simulations yet of the interface between water and air during a chemical reaction. The simulations have uncovered how water controls such chemical reactions by dynamically coupling with the molecules involved in the process.

• How small changes in atoms improve hydrogen production

  Researchers at Umeå University have identified the inner workings of a highly efficient and stable catalyst for hydrogen production, a process central to many sustainable energy initiatives.

• Successful synthesis of neutral N₆ opens door for future energy storage

  Nitrogen finally joins the elite tier of elements like carbon that can form neutral allotropes—different structural forms of a single chemical element. Researchers from Justus Liebig University, Giessen, Germany, have synthesized neutral hexanitrogen (N6)—the first neutral allotrope of nitrogen since the discovery of naturally occurring dinitrogen (N2) in the 18th century that is cryogenically stable and can be prepared at room temperature.

• From food to textile—agricultural waste could become the clothes of the future

  Cellulose-based textile material can make the clothing sector more sustainable. Currently, cellulose-based textiles are mainly made from wood, but a study headed by researchers from Chalmers University of Technology points to the possibility of using agricultural waste from wheat and oat.

• AI tools create new framework for sustainable chemistry

  A team of researchers at the University of Nottingham have developed new AI tools to encourage chemists and chemical engineers to make their processes more sustainable.

• Cephalopod-inspired synthetic skins could enable color switching for soft robots and wearables

  Taking a cue from ocean-dwelling species, University of Nebraska–Lincoln researchers are developing synthetic skins that will support the emergence of next-generation "soft" machines, robots and other devices.

• Enhancing photocatalytic antibacterial activity using oxygen vacancy–rich α-MnO₂ decomposition approach

  Photocatalytic antibacterial and anti-fouling technology, known for its environmentally friendly characteristics, is gaining increasing recognition for its potential applications. However, the activity of single photocatalytic materials is often limited due to the low efficiency of charge carrier separation.

• Light-activated metal catalyst selectively converts carbon dioxide to industrial chemical

  Chemists at the U.S. Department of Energy's (DOE) Brookhaven National Laboratory have designed a new way to convert abundant carbon dioxide (CO2) into formate (HCO2-), an industrial chemical used as a fuel, as an antibacterial/antifungal agent, and for making pharmaceuticals. Their reaction uses a light-activated metal-centered catalyst to facilitate the transfer of electrons and protons needed for the chemical conversion.

• Infrared spectroscopy captures detailed structure and action of organocatalyst in real time

  In a collaborative effort, researchers at the University of Amsterdam and the HFML-FELIX institute in Nijmegen have been able to provide detailed insights in the molecular structure of a thiourea-based organocatalyst, as well as the precise structural changes it undergoes when binding with reactants. They elucidated the precise geometry of the catalyst and of the catalyst-reactant complex using infrared radiation of the FELIX free electron laser, combined with molecular beam experiments and quantum chemical calculations.

• Eliminating external catalysts for the sustainable synthesis of biomolecules and pharmaceuticals

  In the future, it may be possible to produce bioactive molecules and pharmaceuticals without reverting to using enzymes or metals as external catalysts. Chemists at Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU) have developed a procedure during which an in situ-formed organoautocatalyst allows for extremely effective chemical synthesis of bioactive cyclical amine compounds under mild conditions. The findings are published in the journal Angewandte Chemie International Edition.

• Optimizing enzyme inhibition analysis with one experiment instead of dozens

  A new method developed by researchers at KAIST and Chungnam National University could drastically streamline drug interaction testing—replacing dozens of traditional experiments with just one.

• One-step route to complex molecules using ortho-quinodimethanes solves long-standing challenge in polycyclic synthesis

  Organic chemistry features a wide array of reactions for creating complex molecules, among which the Diels–Alder reaction stands out for its versatility and precision. This reaction enables the construction of intricate polycyclic compounds—structures often found in natural products and pharmaceuticals—by joining dienes and dienophiles with high regio- and stereoselectivity.

• Chemists leap across terpenoid landscapes with enzyme-enabled scaffold hopping

  A research team led by Rice University has introduced an innovative strategy that uses enzymes to convert one terpenoid structure into many different forms, streamlining synthetic pathways and redefining the approach to natural product synthesis.