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Category: chemistry – Page 5

A temperature dial for more realistic quantum simulations

Scientists from Rice University in the U.S. have developed a way to precisely tune the temperature inside a trapped-ion simulator. The breakthrough means they will be able to run quantum simulations at precise temperatures that better reflect real-world conditions.

Trapped-ion simulators are quantum devices that isolate charged particles inside a sealed vacuum chamber, using electric fields to hold them in place. They mimic and study complex quantum systems, such as chemical reactions or exotic materials, that are too difficult for ordinary computers to calculate.

Temperatures inside these devices are typically kept as close as possible to absolute zero so that thermal motion does not disrupt calculations or cause errors. But researchers lacked a suitable way to set the temperature without accidentally changing how fast the system loses energy. This meant that studies were mostly stuck using absolute zero or uncontrolled high temperatures.

Molecular orbitals imaged in 3D, opening path to femtosecond videos

One of the most famous and intriguing results of quantum mechanics is the finding that fundamental particles, such as electrons, cannot be pinned down to one single location. Instead, a particle is described by its “wavefunction,” which allows researchers to derive probability distributions—a sort of mathematical map that shows the possibilities—of fundamental properties such as its position and momentum. In particular, the electron wavefunctions within a molecule, known as “molecular orbitals,” carry information about how the molecule interacts with its surroundings. For example, they show how it may absorb light or how a chemical reaction might take place.

As a consequence, knowledge of the complete three-dimensional wavefunction is highly desirable, but imaging the wavefunction has proven to be a major experimental challenge. An interdisciplinary research team at the University of Göttingen has now managed to image the three-dimensional wavefunction of a nanometer-sized organic molecule. They overcame the limitations by combining state-of-the-art photoelectron spectroscopy with powerful mathematical algorithms. The results are published in Nature Communications.

Polar molecules and polymer bridges overcome two key limits in organic electronics

A research team led by Professor Kang Bosoek of the SKKU Advanced Institute of Nano Technology (SAINT), Department of Nano Engineering and Department of Semiconductor Convergence Engineering at Sungkyunkwan University has developed two new molecular design technologies to enhance the electrical conductivity of organic electronic materials. One technology generates a greater number of charge carriers within a polymer, while the other connects transport pathways so that charge can move without interruption.

The findings were published, respectively, in the Journal of the American Chemical Society and Nature Communications. The paper published in the Journal of the American Chemical Society was also selected as a cover article.

Organic semiconductors are lightweight and flexible materials expected to be used in next-generation displays, wearable electronics and sensors. However, for practical use in electronic devices, their electrical conductivity must be improved—which requires generating a sufficient amount of charge and ensuring that the charge, once generated, can move rapidly through the material. Through two separate studies, the research team addressed these two challenges in a complementary way.

Magnetic dopants help quantum dots use light for chemical reactions

Scientists at Los Alamos National Laboratory have demonstrated a new quantum-dot mechanism that could significantly expand the reach of light-driven chemistry. By introducing magnetic manganese dopants into semiconductor quantum dots, the team created an ultrafast spin-exchange pathway that captures hot-electron energy before it is lost as heat and uses it to drive chemical reduction.

The work, published in Nature Communications, provides a direct demonstration that magnetic dopants can enable efficient hot-electron reduction in quantum dots. Using methyl viologen as a model molecular acceptor, the researchers showed that manganese-doped quantum dots can transfer electrons significantly faster than undoped particles and can drive reduction even when conventional band-edge energetics are unfavorable.

“Our study shows that magnetic dopants can do much more than modify the optical properties of quantum dots,” says Victor Klimov, laboratory fellow at Los Alamos and principal investigator on the project. “They can capture hot-exciton energy on ultrafast time scales and redirect it into useful chemistry, which opens a fundamentally new route to high-energy photoreduction.”

Linkerology in PROTACs: learnings for proximityinducing therapeutics

Targeted protein degradation has rapidly evolved from a chemical biology concept into a therapeutic modality, with the first proteolysis-targeting chimera (PROTAC) degrader now approved as a medicine. Linkers play a central role in governing ternary complex formation and conferring drug-like properties on bifunctional compounds. However, linker optimisation remains one of the least rationalised steps in degrader design. In this review, we introduce a linkerology framework that integrates a data-driven analysis of PROTAC linker chemotypes with historical context, representative case studies, emerging proximity-based modalities, and clinical-stage trends. We reveal persistent biases in the explored linker space and identify linker features that are preferentially retained in clinical-stage degraders.

Ultrafast X-ray flashes partially reverse the damage they cause, enabling brighter, more accurate imaging

The interaction between X-rays and matter can be actively controlled, according to an international research team led by the University of Hamburg and SLAC National Accelerator Laboratory that has succeeded in producing bright X-ray images with significantly less damage. In an article published in Nature Communications, the researchers report using ultrafast pulses that partially reverse the damage they generate.

X-rays are ionizing radiation and can damage virtually all matter. That is why radiologists strive to keep the X-ray dose in imaging as low as possible. At the same time, they must ensure the image is bright enough and contains sufficient detail for diagnosis. This trade-off has shaped X-ray imaging for decades.

Researchers who want to image chemical reactions in individual molecules and nanoparticles face a far more extreme version of the same problem. To capture something as small and fleeting as a reaction within a cluster of atoms, they must illuminate the sample with a large number of X-ray photons in an extremely short burst. The most advanced tools for this—X-ray free-electron lasers (XFELs)—produce flashes short enough to “outrun” the physical destruction of the sample.

New strategy for designing ultra-fast charging batteries could prevent hazardous lithium plating

A redesigned lithium-ion anode retained 86% of its initial capacity at a demanding 10C charge rate and stayed stable for more than 250 cycles, while aiming to reduce hazardous lithium plating during fast charging.

The rapid progress in electric vehicles and high-power electronics has increased the demand for ultra-fast-charging lithium-ion (Li-ion) batteries. However, during fast charging, current Li-ion rechargeable batteries suffer from severe degradation in power and potential catastrophic failure, increasing safety risks. This is mainly due to electrochemical instability at the anode–electrolyte interface, causing hazardous Li metal plating on their surface and poor thermal stability.

Recently, high-voltage anode materials have emerged as promising alternatives because they prevent excessive lithium plating and the formation of unstable solid-electrolyte interface layers. Despite these advantages, current state-of-the-art materials are limited by poor ionic conductivity and thermal stability, reducing power output and long-term reliability.

To address these issues, a research team led by associate professor Dongwook Han from Seoul National University of Science and Technology in South Korea developed a novel strategy.

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