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Category: chemistry – Page 252

A group of scientists at the U.S. Department of Energy’s Ames Laboratory has developed computational quantum algorithms that are capable of efficient and highly accurate simulations of static and dynamic properties of quantum systems. The algorithms are valuable tools to gain greater insight into the physics and chemistry of complex materials, and they are specifically designed to work on existing and near-future quantum computers.

Scientist Yong-Xin Yao and his research partners at Ames Lab use the power of advanced computers to speed discovery in condensed matter physics, modeling incredibly complex quantum mechanics and how they change over ultra-fast timescales. Current high performance computers can model the properties of very simple, small quantum systems, but larger or more complex systems rapidly expand the number of calculations a computer must perform to arrive at an accurate model, slowing the pace not only of computation, but also discovery.

“This is a real challenge given the current early-stage of existing quantum computing capabilities,” said Yao, “but it is also a very promising opportunity, since these calculations overwhelm classical computer systems, or take far too long to provide timely answers.”

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A new biologically inspired battery membrane has enabled a battery with five times the capacity of the industry-standard lithium ion design to run for the thousand-plus cycles needed to power an electric car.

A network of aramid nanofibers, recycled from Kevlar, can enable to overcome their Achilles heel of cycle life—the number of times it can be charged and discharged—a University of Michigan team has shown.

“There are a number of reports claiming several hundred cycles for lithium-sulfur batteries, but it is achieved at the expense of other parameters—capacity, charging rate, resilience and safety. The challenge nowadays is to make a battery that increases the cycling rate from the former 10 cycles to hundreds of cycles and satisfies multiple other requirements including cost,” said Nicholas Kotov, the Irving Langmuir Distinguished University Professor of Chemical Sciences and Engineering, who led the research.

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A study published by researchers at the University of Illinois Chicago describes a new method for analyzing pyroptosis–the process of cell death that is usually caused by infections and results in excess inflammation in the body–and shows that process, long thought to be irreversible once initiated, can in fact be halted and controlled.

The discovery, which is reported in Nature Communications, means that scientists have a new way to study diseases that are related to malfunctioning cell death processes, like some cancers, and infections that can be complicated by out-of-control inflammation caused by the process. These infections include sepsis, for example, and acute respiratory distress syndrome, which is among the major complications of COVID-19 illness.

Pyroptosis is a series of biochemical reactions that uses gasdermin, a protein, to open large pores in the cell membrane and destabilize the cell. To understand more about this process, the UIC researchers designed an “optogenetic” gasdermin by genetically engineering the protein to respond to light.

“The cell death process plays an important role in the body, in both healthy states and unhealthy ones, but studying pyroptosis–which is a major type of cell death–has been challenging,” said Gary Mo, UIC assistant professor in the department of pharmacology and regenerative medicine and the department of biomedical engineering at the College of Medicine.

Mo said that methods to examine the pyroptosis mechanisms at play in live cells are difficult to control because they are initiated by unpredictable pathogens, which in turn have disparate effects in different cells and people.

“Our optogenetic gasdermin allowed us to skip over the unpredictable pathogen behavior and the variable cellular response because it mimics at the molecular level what happens in the cell once pyroptosis is initiated,” Mo said.

The researchers applied this tool and used florescent imaging technology to precisely activate gasdermin in cell experiments and observe the pores under various circumstances. They discovered that certain conditions, like specific concentrations of calcium ions, for example, triggered the pores to close within only tens of seconds.

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Quantum computers will not be general-purpose machines, though. They will be able to solve some calculations that are completely intractable for current computers and dramatically speed up processing for others. But many of the things they excel at are niche problems, and they will not replace conventional computers for the vast majority of tasks.

That means the ability to benefit from this revolution will be highly uneven, which prompted analysts at McKinsey to investigate who the early winners could be in a new report. They identified the pharmaceutical, chemical, automotive, and financial industries as those with the most promising near-term use cases.

The authors take care to point out that making predictions about quantum computing is hard because many fundamental questions remain unanswered; for instance, the relative importance of the quantity and quality of qubits or whether there can be practical uses for early devices before they achieve fault tolerance.

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An editorial writer and columnist for the Washington Post wrote a screed attacking electric cars this week. His heavily slanted piece was filled with misinformation. Here’s the truth about driving an electric car in winter.

Last week, hundreds of motorists on I-95 in Virginia were stuck for hours when a blizzard closed the highway south of Washington, DC. Highway crews couldn’t spread ice-melting chemicals before the storm arrived because the rain that preceded it would have washed them away. But when temperatures dropped, the rain quickly turned to ice. Then the snow came and made the ice treacherously slippery. Tractor trailers trying to get off the highway lost control, blocking many exit ramps. Senator Tim Kaine was trapped in the tangled mess of stalled cars for 27 hours.

Afterwards, Charles Lane, an editorial writer and columnist for the Washington Post, wrote a blistering opinion piece entitled, “Imagine Virginia’s Icy Traffic Catastrophe — But With Only Electric Vehicles.” In it, he wails about the Tesla driver who banged on the door of a tractor trailer, begging for help because he was afraid his family might freeze to death if his battery ran out of power. “If everyone had been driving electric vehicles, this mess could well have been worse,” Lane writes.

He goes on to say even Tesla warns on its website the cold temperatures can reduce range. Charging a cold battery takes longer, and besides, he says, there aren’t that many charging stations anyway. And what happens if the power goes out? What then? Lane, a graduate of Yale law school, apparently lacks the mental capacity to realize that when the power goes out, gas pumps stop working as well.

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Our gut microbiome helps us out every day by processing the fiber we can’t digest. The bacteria ferment the fiber into key chemicals known as short-chain fatty acids, or SCFAs, that are essential for human health. SCFAs fight inflammation, help kill dangerous bacteria, protect the lining of the gut, and can even help prevent cancer.

In a new study, the John Denu lab at the University of Wisconsin-Madison’s Wisconsin Institute for Discovery has learned that the fatty acids butyrate and propionate also activate p300, a crucial human enzyme that promotes the unspooling of DNA. This unwound DNA allows more genes to become active and expressed, which ultimately affects human health.

A study by Wisconsin Institute for Discovery researchers challenges long-held beliefs, with potential implications for physiological processes and diseases such as propionic acidemia, autism spectrum disorder and Alzheimer’s disease.

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Artificial intelligence drug design company Iktos, and South Korean clinical research biotech Astrogen announced today a collaboration with the goal of discovering small-molecule pre-clinical drug candidates for a specific, undisclosed, marker of Parkinson’s disease (PD).

Under the terms of the agreement, whose value was not disclosed, Iktos will apply its generative learning algorithms which seek to identify new molecular structures with the potential address the target in PD. Astrogen, which has a focus of the development of therapeutics for “intractable neurological diseases,” will provide in-vitro and in-vivo screening of lead compounds and pre-clinical compounds. While both companies will contribute to the identification of new small-molecule candidates, Astrgoen will lead the drug development process from the pre-clinical stages.

“Our objective is to expedite drug discovery and achieve time and cost efficiencies for our global collaborators by using Iktos’s proprietary AI platform and know-how,” noted Yann Gaston-Mathé, president and CEO of Paris-based Iktos in a press release. “We are confident that together we will be able to identify promising novel chemical matter for the treatment of intractable neurological diseases. Our strategy has always been to tackle challenging problems alongside our collaborators where we can demonstrate value generation for new and on-going drug discovery projects.”

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