Chemistry news and discussions

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Most Materials Seem to Obey a 'Rule of Four' And Scientists Are Utterly Stumped

https://www.msn.com/en-us/news/technolo ... r-AA1ntU6n

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Research team develops AI to perform chemical synthesis

https://phys.org/news/2024-05-team-ai-c ... hesis.html

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Chemists succeed in synthesizing a molecule first predicted 20 years ago
https://phys.org/news/2024-05-chemists- ... years.html
by Saarland University

The first and the best-known metallocene is "ferrocene," which contains a single iron atom. Today, sandwich complexes can be found in many inorganic chemistry textbooks, and the bonding and electronic structure of metallocenes is taught in undergraduate chemistry lecture courses. Sandwich molecules also play an important role in industry, where they are used as catalysts and in the synthesis of special metallopolymers.

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Data-driven model rapidly predicts dehydrogenation barriers in solid-state materials
https://phys.org/news/2024-05-driven-ra ... solid.html
by Tohoku University

Researchers have developed a data-driven model to predict the dehydrogenation barriers of magnesium hydride (MgH2), a promising material for solid-state hydrogen storage. This advancement holds significant potential for enhancing hydrogen storage technologies, a crucial component in the transition to sustainable energy solutions.

Hydrogen, recognized for its versatility and clean energy potential, can be produced from various renewable sources. Solid-state hydrogen storage materials, particularly MgH2, are considered prime candidates for efficient hydrogen storage due to their high storage capacity and resource abundance.

However, despite extensive research over the past five decades, the material properties of MgH2 have yet to meet the performance targets set by the US Department of Energy (US-DOE).

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Research team achieves rapid and reliable room-temperature phosphorescence chiral recognition

by Wu Yuyanu, University of Science and Technology of China
https://phys.org/news/2024-05-team-rapi ... ature.html

A research team led by Prof Zhang Guoqing from the University of Science and Technology of China (USTC) of the Chinese Academy of Sciences (CAS) have presented a novel molecular-solid sensor that enables rapid chiral recognition of natural amino acids through room-temperature phosphorescence (RTP), overcoming the limitations of structural complementarity and generality in traditional luminescence-based methods. Their findings are published in Nature Communications.

Guest-host-doped RTP systems have made significant advancements in applications of various fields, including next-generation optoelectronics, high-contrast bioimaging, and chiral recognition. With increasing attention on the design of RTP systems with chiral moieties, understanding the relationship between structure and property has become crucial.

Leveraging the essential role of chirality in natural evolution, exploring richer spectral methods to understand the correlation between molecular chirality, excited states, and electron spin will elucidate fundamental principles and drive innovative technological transformations.

In their earlier work published in 2023, Prof. Zhang's team first discovered and named the chiral-selective phosphorescence enhancement (CPE) phenomenon, revealing the chirality-dependency of energy transfer between molecules.

In this study, they proposed a more universal sensing scheme allowing for rapid chiral recognition of RTP. They discovered that amino acids react with highly reactive 2-naphthoyl chloride under mild conditions, forming chiral energy acceptors. This process sensitizes the generation of RTP in a triplet energy donor medium. At the same time, L-phenylalanine derivative serves as universal triplet energy donors, providing advantages in mass production and purification.

The team initially confirmed the feasibility of modular design in CPE systems. Experimental results showed that, under different doping ratios, the fluorescence enhancement factors were relatively low, ranging from 1.6 to 3.2. However, under the same conditions, the enhancement factors of RTP spectra significantly increased.

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New 2D polymer brings scientists a step closer to realizing switchable quantum states
https://phys.org/news/2024-06-2d-polyme ... hable.html
by Nicole Gierig, Dresden University of Technology

An international research team led by Dr. Florian Auras from Dresden University of Technology (TUD) has succeeded in developing a new type of material in the rather young research field of covalent organic frameworks. The new two-dimensional polymer is characterized by the fact that its properties can be controlled in a targeted and reversible manner. This has brought the researchers a step closer to the goal of realizing switchable quantum states

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Researchers develop a concept for efficiency-enhanced noble-metal catalysts
https://phys.org/news/2024-08-concept-e ... lysts.html
by Karlsruhe Institute of Technology

The production of more than 90% of all chemical products we use in our everyday lives relies on catalysts. Catalysts speed up chemical reactions, can reduce the energy required for these processes, and in some cases, reactions would not be possible at all without catalysts.

Researchers of Karlsruhe Institute of Technology (KIT) have developed a concept that increases the stability of noble-metal catalysts and requires less noble metal for their production. Their study has been published in the journal Angewandte Chemie.

Noble-metal catalysts are used in many processes in the chemical industry. A reduction of the amount of noble metal required for their production is an important contribution to a sustainable resource use.

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First nanoscale video of hydrogen and oxygen atoms forming water
By Michael Irving
October 02, 2024

https://newatlas.com/science/watch-vide ... oms-water/

We all know the equation – hydrogen plus oxygen equals water. But now scientists have captured molecular-scale video of that famous meeting in action, which could lead to a new way to generate large amounts of drinking water.

A rare element called palladium is known to be a good catalyst for converting gaseous hydrogen and oxygen into water, but exactly how it works remains poorly understood. So for the new study, researchers from Northwestern University used a recently developed technique to watch in precise, molecular detail what was happening.

They placed samples of palladium into honeycomb-shaped nanoreactors, encased in an ultra-thin membrane of glass. Then, the gases were introduced. The whole show was viewed using high-vacuum transmission electron microscopes.

With these powerful new eyes, the team was able to see that hydrogen atoms enter the palladium, causing the metal to expand as its own atoms are pushed farther apart. But more importantly, they saw tiny water bubbles begin to form at the surface of the palladium.

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Chemists just broke a 100-year-old rule and say it's time to rewrite the textbooks
https://phys.org/news/2024-10-chemists- ... books.html
by University of California, Los Angeles

UCLA chemists have found a big problem with a fundamental rule of organic chemistry that has been around for 100 years—it's just not true. And they say, It's time to rewrite the textbooks.

Organic molecules, those made primarily of carbon, are characterized by having specific shapes and arrangements of atoms. Molecules known as olefins have double bonds, or alkenes, between two carbon atoms. The atoms, and those attached to them, ordinarily lie in the same 3D plane. Molecules that deviate from this geometry are uncommon.

The rule in question, known as Bredt's rule in textbooks, was reported in 1924. It states that molecules cannot have a carbon-carbon double bond at the ring junction of a bridged bicyclic molecule, also known as the "bridgehead" position. The double bond on these structures would have distorted, twisted geometrical shapes that deviate from the rigid geometry of alkenes taught in textbooks.

Olefins are useful in pharmaceutical research, but Bredt's rule has constrained the kind of synthetic molecules scientists can imagine making with them and prevented possible applications of their use in drug discovery.

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Precise layering in catalysts offers an improved way for building sustainable chemicals

https://phys.org/news/2024-10-precise-l ... icals.html

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First successful synthesis of elusive antibiotic compounds since their discovery 50 years ago
https://phys.org/news/2024-11-successfu ... ounds.html
by Institute of Science Tokyo

Back in 1974, German researchers discovered peculiar chemical compounds, present as red pigments in soil bacteria from a volcanic crater. These biomolecules, which came to be known as naphthocyclinones, are representative of a family of antibiotics with potential medical or biological applications. Despite their promising properties, artificially synthesizing these naphthocyclinones has proven to be quite challenging.

Fortunately, as reported in a paper published in Angewandte Chemie International Edition on 10 October 2024, scientists from Institute of Science Tokyo (Science Tokyo) successfully accomplished this difficult task. Led by Associate Professor Yoshio Ando, this research team crafted an elegant strategy to synthesize both β- and γ-naphthocyclinones at high yields, opening up the way to further studies of these and related compounds and increasing their availability for practical use.

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Scientists develop new method to measure and predict hydrogen bond strength in confined water
https://phys.org/news/2025-04-scientist ... ength.html
by University of Manchester

A breakthrough by researchers at The University of Manchester sheds light on one of nature's most elusive forces, with wide-reaching implications for medicine, energy, climate modeling and more. The researchers have developed a method to precisely measure the strength of hydrogen bonds in confined water systems, an advance that could transform our understanding of water's role in biology, materials science, and technology.

The work, published in Nature Communications, introduces a fundamentally new way to think about one of nature's most important but difficult-to-quantify interactions.

Hydrogen bonds are the invisible forces that hold water molecules together, giving water its unique properties, from high boiling point to surface tension, and enabling critical biological functions such as protein folding and DNA structure. Yet despite their significance, quantifying hydrogen bonds in complex or confined environments has long been a challenge.

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Chemists leap across terpenoid landscapes with enzyme-enabled scaffold hopping
https://phys.org/news/2025-06-chemists- ... abled.html
by Rice University

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.

For decades, organic chemists believed that each natural product scaffold required a custom synthesis. However, this assumption has been challenged by a study led by Hans Renata, associate professor of chemistry at Rice, and published in Nature Chemistry June 16. The research team developed a method that transforms a single compound, sclareolide, into multiple structurally diverse terpenoids through enzymatic oxidation and chemical reorganization.

"We thought, 'What if the enzymatic step could be more than just a means to an end? What if it could unlock a whole new map of chemical space?'" Renata said.

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From 8,000 experiments to 28: AI does the dirty work for clean ammonia
By Michael Franco
June 20, 2025
https://newatlas.com/energy/green-ammonia-ai/

To find the right mix of metals for their green ammonia catalyst, scientists turned to AI. The result was a breakthrough that makes their technique of producing ammonia from air and water more efficient and much more accessible.

You might be most familiar with ammonia as a kitchen cleaning product, but outside of the home, ammonia is a big deal, ranking as the second most industrially produced chemical in the world, after sulfuric acid. About 80% of ammonia is used as fertilizer, so it's a key part of global food production. It also finds its way into other industries and lately, it's being looked at as an alternative fuel source. That's because it can be a carbon-free source of energy as it releases only nitrogen and water vapor when burned. It also has a high energy density and is a great storage medium for hydrogen, which is also coming on strong as a new green fuel.

However, the most common way of producing ammonia these days is through a method known as the Haber-Bosch process, which uses extremely high temperatures and pressures that are normally created by burning fossil fuels. Researchers are working furiously to sidestep this process to create ammonia using carbon-neutral techniques. Last year, in fact, the world's first green ammonia plant opened in Denmark and earlier this year, we saw a new device that has the potential to deliver clean ammonia made from thin air directly to farmers.

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New molecule could create stamp-sized drives with 100x more storage
By Abhimanyu Ghoshal
June 27, 2025
https://newatlas.com/technology/dyspros ... x-storage/

A team of chemists has developed a new type of magnetic molecule that could be the key to storing vast amounts of data on absolutely miniscule drives.

How much data are we talking here? "This new molecule could lead to new technologies that could store about three terabytes of data per square centimeter," said Professor Nicholas Chilton from the Australian National University (ANU). "That’s equivalent to around 40,000 CD copies of The Dark Side of the Moon album squeezed into a hard drive the size of a postage stamp, or around half a million TikTok videos.”

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Low-temperature process boosts water-splitting catalyst performance sixfold
https://phys.org/news/2025-08-temperatu ... xfold.html
by Pohang University of Science and Technology

A research team from Pohang University of Science and Technology (POSTECH) and Seoul National University has developed a new method to activate water-splitting catalysts at an oven temperature of just 300°C—much lower than the conventional furnace temperature of 800°C. This low-temperature process also boosts the catalyst's oxygen evolution efficiency by nearly sixfold.

The study, led by Prof. Yong-Tae Kim and Dr. Sang-Mun Jung of POSTECH and Prof. Junwoo Son and Dr. Youngkwang Kim of Seoul National University, was published in the journal Advanced Functional Materials.

Solar and wind power generate electricity that fluctuates with the weather. Hydrogen offers a solution to store this excess energy. Using electricity to split water into hydrogen and oxygen allows the energy to be stored and later converted back into electrical power—enabling long-term large-scale energy storage.

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Microwave technique allows energy-efficient chemical reactions

by University of Tokyo
https://phys.org/news/2025-10-microwave ... mical.html

Some industrial processes used to create useful chemicals require heat, but heating methods are often inefficient, partly because they heat a greater volume of space than they really need to. Researchers, including those from the University of Tokyo, devised a way to limit heating to the specific areas required in such situations. Their technique uses microwaves, not unlike those used in home microwave ovens, to excite specific elements dispersed in the materials to be heated. Their system proved to be around 4.5 times more efficient than current methods.

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AI-guided enzyme discovery enables 98.6% breakdown of polyurethane foam in hours
https://phys.org/news/2025-11-ai-enzyme ... kdown.html
by Krystal Kasal, Phys.org

As the use of AI spreads through every industry and becomes more of a part of our lives every day, researchers are also looking into ways it can be used to solve some of the world's biggest problems. One of these problems is the world's reliance on plastics for making everything from clothing to medical supplies to food wrappers, which is creating a massive amount of non-biodegradable waste—with more and more piling on every day. Much of this ends up wreaking havoc on various ecosystems and creating an overabundance of microplastics that end up in our food and water supplies.

Clearly, there is a need for recycling these materials. However, plastics remain one of the most difficult materials to recycle efficiently. But now, a team of researchers might have found a way to facilitate the process with the help of AI. Their study, published in Science, details how a neural network helped them find enzymes that can break down plastics faster and more efficiently than any they've found on their own.