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Category: chemistry

Quantum simulation of chemical dynamics achieved for the first time

Researchers at the University of Sydney have successfully performed a quantum simulation of chemical dynamics with real molecules for the first time, marking a significant milestone in the application of quantum computing to chemistry and medicine.

Understanding in real time how atoms interact to form new compounds or interact with light has long been expected as a potential application of quantum technology. Now, quantum chemist Professor Ivan Kassal and Physics Horizon Fellow Dr Tingrei Tan, have shown it is possible using a quantum machine at the University of Sydney.

The innovative work leverages a novel, highly resource-efficient encoding scheme implemented on a trapped-ion quantum computer in the University of Sydney Nanoscience Hub, with implications that could help transform medicine, energy and materials science.

University of Sydney scientists have made a big step towards future design of treatments for skin cancer or improved sunscreen by modelling photoactive chemical dynamics with a quantum computer.

Enzyme-based plastics recycling at an industrial scale could be cost-effective, analysis finds

A successful collaboration involving a trio of research institutions has yielded a roadmap toward an economically viable process for using enzymes to recycle plastics.

The researchers, from the National Renewable Energy Laboratory (NREL), the University of Massachusetts Lowell, and the University of Portsmouth in England, previously partnered on the of improved PETase enzymes that can break down polyethylene terephthalate (PET). With its low manufacturing cost and excellent material properties, PET is used extensively in single-use packaging, soda bottles, and textiles.

The new study, published in Nature Chemical Engineering, combines previous fundamental research with advanced chemical engineering, process development, and techno-economic analysis to lay the blueprints for enzyme-based PET recycling at an industrial scale.

New hybrid quantum–classical computing approach used to study chemical systems

Caltech professor of chemistry Sandeep Sharma and colleagues from IBM and the RIKEN Center for Computational Science in Japan are giving us a glimpse of the future of computing. The team has used quantum computing in combination with classical distributed computing to attack a notably challenging problem in quantum chemistry: determining the electronic energy levels of a relatively complex molecule.

The work demonstrates the promise of such a quantum–classical hybrid approach for advancing not only , but also fields such as , nanotechnology, and drug discovery, where insight into the electronic fingerprint of materials can reveal how they will behave.

“We have shown that you can take classical algorithms that run on high-performance classical computers and combine them with quantum algorithms that run on quantum computers to get useful chemical results,” says Sharma, a new member of the Caltech faculty whose work focuses on developing algorithms to study quantum . “We call this quantum-centric supercomputing.”

Nanobody hitchhikers boost immunotherapy potency in cancer treatment

Researchers led by John T. Wilson, Vanderbilt University associate professor of chemical and biomolecular engineering and biomedical engineering, have developed a new approach using a molecularly designed nanobody platform that seeks to make immunotherapy more effective in the treatment of cancer.

The research, “Potentiating Cancer Immunotherapies with Modular Albumin-Hitchhiking Nanobody-STING Agonist Conjugates,” is published in Nature Biomedical Engineering.

Immunotherapy is revolutionizing cancer treatment, but few patients benefit from the treatment, according to researchers. However, Wilson and his Immunoengineering Lab at Vanderbilt, along with collaborators at Vanderbilt University Medical Center, SOMBS, and the College of Arts and Sciences, aim to solve this problem.

Insulin on edge: Study identifies stress-triggered gene behind diabetes

Researchers from Osaka Metropolitan University have identified a gene that, when activated by metabolic stress, damages pancreatic β-cells—the cells responsible for insulin production and blood sugar control—pushing them toward dysfunction. The findings highlight a promising new target for early intervention in type 2 diabetes. The study is published in the Journal of Biological Chemistry.

While many factors can contribute to type 2 diabetes, lifestyle, especially diet, plays a major role in its onset. Genetics matter, but poor eating habits can greatly increase the risk of developing what is now often called a “silent epidemic.”

“Type 2 diabetes occurs when pancreatic β-cells, which secrete insulin to regulate , become impaired due to prolonged stress caused by poor dietary habits, a condition known as ,” said Naoki Harada, an associate professor at Osaka Metropolitan University’s Graduate School of Agriculture and lead author of this study.

Surprising versatility of boron nitride nanotubes displayed in fusion of art and science

In an elegant fusion of art and science, researchers at Rice University have achieved a major milestone in nanomaterials engineering by uncovering how boron nitride nanotubes (BNNTs)—touted for their strength, thermal stability and insulating properties—can be coaxed into forming ordered liquid crystalline phases in water. Their work, published in Langmuir, was so visually striking it graced the journal’s cover.

That vibrant image, however, represents more than just the beauty of science at the nanoscale. It captures the essence of a new, scalable method to align BNNTs in using a common bile-salt surfactant—sodium deoxycholate (SDC)—opening the door to next-generation materials for aerospace, electronics and beyond.

“This work is very interesting from the fundamental point of view because it shows that BNNTs can be used as model systems to study novel nanorod liquid crystals,” said Matteo Pasquali, the A.J. Hartsook Professor of Chemical and Biomolecular Engineering, professor of chemistry, materials science and nanoengineering and corresponding author on the study.

High explosives in slow motion: Freezing molecules in place shows chemical reactions

Safe and effective high explosives are critical to Lawrence Livermore National Laboratory’s (LLNL) mission of stockpile stewardship. It is relatively simple to study the composition of such material before a detonation or examine the soot-like remnants afterward. But the chemistry in between, which dictates much of the detonation process, evades experimental interrogation as it passes by in a few nanoseconds or less.

In a study published in the Proceedings of the National Academy of Sciences, researchers from SLAC National Accelerator Laboratory and LLNL triggered a slow decomposition of a high explosive and measured the effects on the molecules within it. The work provides the proof of concept for a process that could be extended to examine ultra-fast dynamic chemistry during detonations and illuminates intermediate structures that have never been experimentally seen before.

At the Stanford Synchrotron Radiation Lightsource, the team used X-rays to both trigger the involved in decomposition and measure the results.

Two-step system makes plastic from carbon dioxide, water and electricity

What if a machine could suck up carbon dioxide from the atmosphere, run it through a series of chemical reactions, and essentially spit out industrially useful plastic?

“I think that is something that we, as a society, would be interested in. After all, in addition to being a , carbon dioxide is an abundant and inexpensive feedstock,” says Theo Agapie, Ph.D., the John Stauffer Professor of Chemistry and the executive officer for chemistry at Caltech. “With our new work, we have taken a significant step in that direction.”

Reporting in the journal Angewandte Chemie International Edition, Agapie and a team of Caltech chemists have developed a system that uses electricity from sustainable sources to carry out the chemical conversion of carbon dioxide (CO2) into molecules, such as ethylene and , that are useful for making more complex compounds.

Turning captured carbon into natural gas could provide cost-competitive energy storage

Solar and wind energy are highly variable, dependent on the day, weather and location of the facilities. At times, they can generate more electricity than is needed, but they can also fall short when demand is at its peak. Unfortunately, any extra energy created by these sources is often wasted, as there are few methods that adequately store it long-term. To improve energy security in the United States, the nation requires both sources of energy and novel ways to store and distribute it.

In a new study, published in Cell Reports Sustainability, researchers from Lawrence Livermore National Laboratory (LLNL) have explored how a reactive capture and conversion (RCC) process could be used to produce synthetic renewable natural gas—a chemical form of long-duration energy storage.

“Rather than sourcing carbon from below-ground, RCC enables the use of above-ground carbon as a resource,” said LLNL scientist and lead author Alvina Aui. “Synthetic renewable natural gas, when used as an energy-storage option, can reduce grid instability caused by the intermittency of energy sources like wind and solar.”

Elemental discovery: Researchers find new oxidation state for rare earth element

A longstanding mystery of the periodic table involves a group of unique elements called lanthanides. Also known as rare earth elements, or REEs, these silvery-white metals are challenging to isolate, given their very similar chemical and physical properties. This similarity makes it difficult to distinguish REEs from one another during extraction and purification processes.