Scientists Solve a Long-Standing Chemistry Challenge With Light-Driven Catalysis

Chemists have developed a light-driven method for producing a rare and highly strained molecular structure known as “housane.”

Designing a new drug often starts with a basic but difficult task: making the exact molecular framework needed for a medicine to work. Some important drugs, including penicillin, depend on tiny ring-shaped structures made from three or four connected atoms. Although these compact motifs can have an outsized effect on biological activity, they are not always easy to build in a practical way.

Researchers led by Prof. Frank Glorius at the Institute of Organic Chemistry at the University of Münster have developed a new approach that converts simple and widely available starting materials into these compact ring structures with high efficiency. The resulting molecule has a shape that resembles a simple drawing of a house, which is why chemists refer to it as “housane.” The transformation relies on a photocatalyst that absorbs light and transfers that energy to the reacting molecules, allowing the chemical change to occur.

These small ring systems store a large amount of internal strain, similar to the tension in a bent branch. When that tension is released, it can drive additional chemical reactions. Because of this property, strained ring molecules are useful building blocks for creating more complex and valuable compounds. Despite their usefulness, producing molecules that contain this level of strain has proven challenging.

Earlier strategies for making housane often relied on “harsh” reaction conditions, including very high temperatures. Another limitation is that those methods generally do not tolerate many additional atoms or groups of atoms attached to the starting materials. Chemists refer to these attachments as functional groups, and they strongly influence the behavior and properties of a molecule.

Controlling Light-Driven Reactions

To solve this problem, the team turned to hydrocarbons known as (1,4-dienes). Under light, these molecules usually head off in the wrong direction, producing unwanted side reactions instead of the desired product. The researchers found that by adjusting the side chains on the starting materials, they could steer the chemistry away from those competing pathways and make the process much more selective.

Once those detours were blocked, the molecules were able to fold into the tense ring system needed to form housane. “This process is normally difficult to achieve because it is energetically ‘uphill’ and requires additional momentum. Photocatalysis provides the necessary energy,” Frank Glorius explains. Computer-aided analyses helped the team map out how the reaction proceeds, offering a clearer picture of why the method works.

Computer-aided analysis also helped the researchers clarify how the reaction proceeds at the molecular level.

The technique allows chemists to produce housane more easily and with greater efficiency. It also increases the ways in which this highly strained framework can be used to assemble more complex molecules. According to the researchers, the approach could support both fundamental chemical research and practical applications, including pharmaceutical manufacturing and the development of new materials.

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Unlocking Potassium Battery Secrets! #worldresearchawards #Analyticalchemistry#researchawards

 

This study investigates a transient intermediate state that governs the formation and composition of the solid electrolyte interphase in potassium batteries. Understanding this mechanism provides insights into interfacial stability, enhancing battery performance, lifespan, and safety for next-generation energy storage systems.

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A Cambridge Lab Mistake Reveals a Powerful New Way to Modify Drug Molecules

A surprising lab discovery reveals a light-powered way to tweak complex drugs faster, cleaner, and later in development.

Researchers at the University of Cambridge have created a new technique for altering complex drug molecules using light instead of hazardous chemicals. The advance could speed up drug development and improve how medicines are produced.

The work, published today (March 12) in Nature Synthesis, introduces what the researchers describe as an “anti-Friedel–Crafts” reaction. In traditional Friedel–Crafts chemistry, powerful reagents or metal catalysts are required under demanding laboratory conditions. Because of these harsh requirements, the reaction typically takes place early in the manufacturing process, followed by many additional steps to complete the final drug.

The Cambridge method flips this approach. Instead of making changes at the beginning, scientists can now adjust drug molecules much later in the production process.

LED Light Powers a Cleaner Chemical Reaction

The reaction does not rely on heavy metal catalysts. Instead, it is activated by an LED lamp at ambient temperature. Once the light initiates the reaction, it starts a chain process that forms new carbon–carbon bonds under gentle conditions and without toxic or costly chemicals.

In practical terms, chemists can now modify a finished or nearly finished drug molecule rather than dismantling it and rebuilding it piece by piece. That conventional process can take months.

“We’ve found a new way to make precise changes to complex drug molecules, particularly ones that have been exceptionally difficult to modify in the past,” said David Vahey, first author and a PhD researcher at St John’s College, Cambridge.

“Scientists can spend months rebuilding large parts of a molecule just to test one small change. Now, instead of doing a multistep process for hundreds of molecules, scientists can start with their hit and make small modifications later on.”

“This reaction lets scientists make precise adjustments much later in the process, under mild conditions and without relying on toxic or expensive reagents. That opens chemical space that has been hard to access before and gives medicinal chemists a cleaner, more efficient tool for exploring new versions of a drug.”

Faster Drug Development With Less Waste

Reducing the number of steps in chemical synthesis lowers the amount of chemicals required, cuts energy use, and reduces environmental impact. It also saves time for chemists working to refine new medicines.

The reaction is highly selective, allowing researchers to alter one specific part of a molecule without disturbing other delicate sections. This precision is crucial in drug development, where even small structural changes can influence how well a medicine works, how it behaves inside the body, or whether it causes unwanted side effects.

The discovery also addresses one of the most fundamental tasks in chemistry: creating carbon carbon bonds. These bonds form the backbone of countless substances, from fuels to complex biological molecules.

Because the reaction tolerates many different chemical groups on a molecule, a property chemists call “high functional-group tolerance,” it is particularly useful for late-stage optimization. This phase of drug development involves fine-tuning molecules to improve their effectiveness and safety.

By avoiding heavy metal catalysts and reducing lengthy synthetic processes, the approach could also significantly cut chemical waste and energy use in pharmaceutical manufacturing. This is increasingly important as the industry works to reduce its environmental footprint.

Inspiration From Sustainable Chemistry

Vahey works in the research group of Professor Erwin Reisner at Cambridge. Reisner’s team is known for developing chemistry systems inspired by photosynthesis. Their work often focuses on using sunlight to convert waste, water, and the greenhouse gas carbon dioxide into useful chemicals and fuels.

Reisner, Professor of Energy and Sustainability in the Yusuf Hamied Department of Chemistry and lead author of the study, said the importance of the discovery lies in expanding what chemists can accomplish under practical conditions while supporting greener chemical production.

“This is a new way to make a fundamental carbon–carbon bond, and that’s why the potential impact is so great. It also means chemists can avoid an undesirable and inefficient drug modification process.”

The researchers tested the reaction on a wide variety of drug-like molecules and showed that it can work in continuous-flow systems often used in industrial production. Collaboration with AstraZeneca helped evaluate whether the method could meet the real-world requirements of large-scale pharmaceutical development.

“Transitioning the chemical industry to a sustainable industry is arguably one of the most difficult parts of the whole energy transition,” explained Reisner.

A Breakthrough Born From a Failed Experiment

The discovery emerged from a laboratory setback, a pattern seen in several well-known scientific breakthroughs, including X-rays, penicillin, Viagra, and modern weight-loss medications.

“Failure after failure, then we found something we weren’t expecting in the mess – a real diamond in the rough. And it is all thanks to a failed control experiment,” Vahey said.

He had been testing a photocatalyst, but removed it during a control experiment. Surprisingly, the reaction still worked and sometimes performed even better without the catalyst.

At first, the unusual product appeared to be an error. Instead of discarding the result, the researchers decided to investigate it further. Reisner said this decision was critical.

“Recognising the value in the unexpected is probably one of the key characteristics of a successful scientist,” he said.

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Unlocking Agarwood's Secrets with Science! #worldresearchawards #Analyticalchemistry #research

 

This study explores the thermal release dynamics and pyrolysis signatures of Agarwood using gas-liquid microextraction coupled with Gas Chromatography–Mass Spectrometry to identify volatile compounds, providing insights into aroma formation, chemical characterization, and quality evaluation relevant to natural product chemistry and analytical science.

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Scientists May Have Found a Way to Fix Green Hydrogen’s Biggest Problem

A new European project aims to reinvent green hydrogen without toxic PFAS or costly rare metals.

Green hydrogen is widely viewed as a crucial piece of the global shift toward cleaner energy. However, producing it at scale still presents major economic and environmental challenges. One of the most promising methods, PEM (proton exchange membrane) electrolysis, is well-suited for generating hydrogen when renewable electricity from wind and solar fluctuates. Despite that advantage, the process remains significantly more expensive than hydrogen production based on fossil fuels.

There are also sustainability concerns tied to the technology. Current PEM systems rely on substances known as forever chemicals (PFAS), which are considered environmentally harmful and are expected to face restrictions in the European Union. A new European research initiative called SUPREME aims to solve these problems. Over the next three years, an international team led by the University of Southern Denmark and involving Graz University of Technology (TU Graz) will work on a PFAS-free electrolysis technology that is both highly efficient and less dependent on scarce materials such as iridium. The goal is to lower costs while improving environmental safety.

Hydrogen’s Growing Role in Industry and Energy Storage

“Hydrogen is used as a raw material in very large quantities, and this will continue to increase in the future. These include the production of ammonia, methanol production, and the steel industry,” says Merit Bodner from the Institute of Chemical Engineering and Environmental Technology at TU Graz.

“If we succeed in avoiding the use of harmful substances in the production of green hydrogen and we can also bring it to a similar price level as fossil hydrogen in economic terms, we will have taken an important step towards the green transition. This also makes it more attractive for other applications, such as storing surplus energy from renewables.”

Hydrogen already plays a critical role in several major industries, and demand is expected to keep rising. Making green hydrogen more affordable and environmentally responsible could expand its use even further, including helping store excess energy generated by renewable sources.

Testing PFAS Free Materials for Industrial Electrolysis

TU Graz plays a key role in the SUPREME project. The research group led by Merit Bodner is examining which PFAS-free materials are already available on the market and how they perform compared with existing industry standards. A major focus is determining whether these more sustainable alternatives can deliver the same durability and efficiency required for long term industrial operation.

At the same time, the Turkish Science and Technology Council TÜBITAK is developing the next generation of microporous PFAS-free membranes. These membranes will be designed for use in advanced electrolysis systems.

Cutting Iridium Use and Boosting Recycling

Another central objective of the project is reducing dependence on iridium, a rare and expensive platinum group metal used in PEM electrolysis. Researchers at the University of Southern Denmark and the British metal and catalyst company Ceimig are investigating ways to lower iridium use by up to 75 percent. They are also working on processes that could recycle about 90 percent of the iridium still required.

Other partners are contributing key components of the system. Fraunhofer ISE in Germany is responsible for producing the membrane electrode units, while the Norwegian hydrogen company Element One Energy AS (EoneE) is developing a new rotating electrolyser design.

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New Catalyst Turns CO2 Into Valuable Methanol With Unprecedented Efficiency

A new catalyst built from isolated indium atoms allows scientists to convert CO2 into methanol more efficiently while revealing the hidden chemistry that drives the reaction.

Methanol is an important building block for many chemical products. Scientists at ETH Zurich have now developed a highly efficient method for producing this compound from carbon dioxide (CO2) and hydrogen by using catalysts made from individual metal atoms.

Every chemical reaction must overcome an energy barrier before it can occur. In simple situations, this barrier can be relatively small. Striking a match, for example, provides enough energy to start a reaction. In many industrial processes, however, the required energy is much higher. Supplying that energy increases operating costs.

To make reactions easier to start, chemists rely on catalysts. These substances speed up chemical reactions without being consumed in the process. Many of the most effective catalysts contain metals, including some that are rare and expensive.

Better, more efficient, and leaving nothing to chance

Chemists have now reported a major advance in catalyst research:

• The team created a catalyst that greatly lowers the energy needed to produce methanol, an alcohol, from the greenhouse gas CO2 and hydrogen.

• Their design uses the metal indium in an extremely efficient way. Each individual indium atom acts as an active site where the chemical reaction occurs.

• The catalyst also provides scientists with a clearer view of the chemical processes happening on its surface. In the past, catalyst development often relied on trial and error. The new system allows researchers to study reaction mechanisms more precisely, which could support a more systematic approach to designing future catalysts.

The Swiss army knife of green chemistry

“Methanol is a universal precursor for the production of a wide range of chemicals and materials, such as plastics the Swiss army knife of chemistry, so to speak,” says Javier Pérez-Ramírez, Professor of Catalysis Engineering at ETH Zurich. The liquid therefore plays a vital role in the transition to sustainable and fossil-free production of chemical products and fuels.

Because methanol can be transformed into fuels, plastics, and many other products, it plays an important role in efforts to shift toward more sustainable and fossil-free manufacturing.

If the hydrogen required for the reaction and the energy that drives the catalytic process are produced using renewable sources, methanol itself could be made in a climate-neutral way. In that case, CO2 from the atmosphere would become a raw material rather than simply a waste product released into the air.

Maximum use of the metals

“Our new catalyst has a single atom architecture, in which isolated active metal atoms are anchored on the surface of a specially developed support material,” Pérez-Ramírez explains. In conventional catalysts, on the other hand, metals are usually present as aggregates, usually small particles. Although these particles are tiny, they often contain between a hundred and several thousand metal atoms.

In conventional catalysts, metals are typically present as clusters or nanoparticles. Even though these particles are extremely small, each one can contain anywhere from a hundred to several thousand metal atoms. Only the atoms on the surface actively participate in the reaction.

Single-atom catalysts aim to eliminate that inefficiency. By dispersing metals as individual atoms, researchers can maximize the use of scarce and costly elements. In some cases, this strategy could even make precious metals economically practical for large-scale industrial use.

Working at the level of single atoms can also change how a metal behaves chemically. “Indium has already been used in this catalyst for over a decade,” says Pérez-Ramírez. “In our study, we show that isolated indium atoms on hafnium oxide allow more efficient CO2-based methanol synthesis than indium in the form of nanoparticles containing large numbers of atoms.”

Single atoms in the right place

Securing individual indium atoms onto a hafnium oxide surface required careful engineering. The interdisciplinary ETH team developed several synthetic routes in collaboration with researchers from other institutions.

A critical factor was the design of the support material. Its structure provides a setting that is both stable and chemically active, allowing the isolated atoms to remain in place while still participating in the reaction.

In one manufacturing approach tested by the researchers, the starting materials are burned in a flame at temperatures between 2,000 and 3,000°C (about 3,600 to 5,400°F) and then cooled very rapidly. Under these extreme conditions, indium atoms tend to stay on the surface, where they become firmly embedded.

By incorporating the metal atoms into a heat-resistant hafnium oxide support, the scientists demonstrated that single-atom catalysts can remain stable even under demanding conditions. This is crucial because industrial methanol production from CO2 and hydrogen requires temperatures of up to 300°C (about 572°F) and pressures up to 50 times normal atmospheric pressure.
Interaction between the catalyst metal and the matrix

Another advantage of single-atom catalysts is that they are easier to analyze.

With traditional nanoparticle catalysts, most measurement signals come from atoms inside the particles, even though only surface atoms drive the reaction. This makes it difficult to determine exactly what is happening during the process.

In contrast, when metals are dispersed as isolated atoms, there are far fewer extraneous signals. Researchers can more clearly observe the reaction mechanisms taking place.

Pérez-Ramírez has been investigating improved catalysts for methanol production from CO2 at ETH since 2010. He also collaborates closely with industry and holds several patents in this field.

According to Pérez-Ramírez, the strong network of catalysis research in Switzerland played a central role in this achievement. “The development of the methanol catalyst and the detailed analysis of the mechanism would not have been possible without this interdisciplinary expertise.”

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Scientists Map the Hidden Chemistry of Solar-Powered Catalysts

A new computational approach reveals how subtle structural changes in polyheptazine imides can dramatically influence their ability to convert sunlight into chemical energy.

Photocatalysis offers a promising way to convert abundant sunlight into useful chemical energy. Among the materials attracting attention for this purpose are polyheptazine imides, which possess distinctive structural and functional features that make them strong candidates for solar-driven chemical reactions. Until recently, however, scientists had only a limited understanding of how structural variations influence the electronic and optical behavior of the many materials in this class.

Researchers led by a team from the Center for Advanced Systems Understanding (CASUS) at Helmholtz-Zentrum Dresden-Rossendorf (HZDR) have now developed a dependable theoretical approach that addresses this challenge. Their method produces consistent predictions and was validated through experiments on real polyheptazine imide materials. The researchers believe their findings could significantly accelerate research and development in this field.

Polyheptazine imides belong to the carbon nitride family, a group of layered compounds that resemble graphene in structure. These materials are made from nitrogen-rich ring-shaped building blocks that stack into sheets. Unlike graphene, which conducts electricity extremely well but lacks photocatalytic activity, polyheptazine imides have band gaps that allow them to absorb visible light.

Carbon nitride materials are appealing for practical use because they are inexpensive to manufacture, non-toxic, and thermally stable. However, early versions of these materials performed poorly as photocatalysts because their electronic properties made charge separation inefficient.

When charge separation is weak, an electron excited by incoming light quickly recombines with the hole it left behind. Instead of driving a chemical reaction, the absorbed energy is released as heat or light. “Polyheptazine imides containing positively charged metal ions exhibit markedly improved charge separation. This feature renders them highly suitable for practical applications,” says first author Dr. Zahra Hajiahmadi.

Computer science narrows down options

Improved materials are needed to unlock the economic potential of photocatalytic reactions. Examples include splitting water to produce hydrogen fuel, reducing carbon dioxide to create basic carbohydrates that can serve as fuels or industrial chemicals, and producing hydrogen peroxide, which is widely used in industry.

Designing a polyheptazine imide that efficiently drives a specific reaction requires careful control of many structural details. Testing every possible material combination through laboratory synthesis alone would be impractical. Computational modeling, therefore, plays a crucial role in guiding the search.

“The design space is enormous,” says Prof. Thomas D. Kühne, Director of CASUS, leader of the CASUS research team “Theory of Complex Systems,” and senior author of the study. “One can, for example, add functional groups on the surface or substitute specific nitrogen or carbon atoms with oxygen or phosphorus atoms.” Kühne’s research group develops advanced numerical techniques that balance computational efficiency with an accurate representation of the chemistry and physics governing these materials.

Finding the perfect material in a systematic way

Hajiahmadi’s work focused on a defining structural element of polyheptazine imides: negatively charged pores that can host positively charged metal ions. Adding these ions can significantly enhance catalytic performance.

Her study provides the first comprehensive investigation of how different metal ions affect the optoelectronic properties of polyheptazine imides. The researchers analyzed 53 metal ions in total, categorizing them based on their position within the structure, either in the plane of the layers or between them, and examining whether they caused distortions in the material’s geometry.

“We used a reliable and reproducible computational framework that goes beyond conventional modeling approaches,” says Hajiahmadi. “Standard computational studies of photocatalysts typically focus on ground-state properties and neglect excited-state effects, despite the fact that photocatalysis is inherently driven by photoexcited charge carriers. Specifically, we employ many-body perturbation theory methods.”

These techniques begin with a simplified system in which particles do not interact. Interactions between particles are then introduced as small perturbations, and their effects are calculated as corrections to the original solution. The mathematical expansions that follow allow researchers to approximate how large groups of particles influence one another. Because these calculations require significant computational resources, they are rarely used in this field. The new study demonstrates that the approach can provide a far more accurate picture of how materials absorb light and behave electronically under illumination.

Using this framework, the team systematically examined how various metal ions alter the structure of the polyheptazine imide polymer network. The analysis showed that inserting ions can produce clear structural changes, including shifts in layer spacing and modifications to the local bonding environment.

These structural adjustments directly influence the material’s electronic band structure and optical properties, including its ability to harvest light.

To test the model’s predictions, the researchers synthesized eight polyheptazine imide materials, each containing a different metal ion. The samples were then evaluated for their ability to catalyze the production of hydrogen peroxide.

“The results clearly showed a high degree of agreement to our predictions and outperformed competing calculation methods,” Hajiahmadi concludes.

Kühne adds: “If there was some doubt about polyheptazine imides being one of the most promising platforms for next-generation photocatalytic technologies, I believe this work put them to rest. The path toward the targeted design of efficient polyheptazine imide photocatalysts for sustainable reactions is clearer now. I firmly believe that it will be taken often and successfully.”

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