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Category: chemistry – Page 201

A new quantum approach to solve electronic structures of complex materials

If you know the atoms that compose a particular molecule or solid material, the interactions between those atoms can be determined computationally, by solving quantum mechanical equations—at least, if the molecule is small and simple. However, solving these equations, critical for fields from materials engineering to drug design, requires a prohibitively long computational time for complex molecules and materials.

Now, researchers at the U.S. Department of Energy’s (DOE) Argonne National Laboratory and the University of Chicago’s Pritzker School of Molecular Engineering (PME) and Department of Chemistry have explored the possibility of solving these electronic structures using a quantum .

The research, which uses a combination of new computational approaches, was published online in the Journal of Chemical Theory and Computation. It was supported by Q-NEXT, a DOE National Quantum Information Science Research Center led by Argonne, and by the Midwest Integrated Center for Computational Materials (MICCoM).

Warning: Common Synthetic Chemicals Disrupt Key Biological Processes — Linked to a Diverse Array of Diseases

Researchers from the Keck School of Medicine of USC have discovered that being exposed to a mixture of synthetic chemicals commonly present in the environment affects multiple crucial biological processes in both children and young adults. These processes include the metabolism of fats and amino acids.

<div class=””> <div class=””><br />Amino acids are a set of organic compounds used to build proteins. There are about 500 naturally occurring known amino acids, though only 20 appear in the genetic code. Proteins consist of one or more chains of amino acids called polypeptides. The sequence of the amino acid chain causes the polypeptide to fold into a shape that is biologically active. The amino acid sequences of proteins are encoded in the genes. Nine proteinogenic amino acids are called “essential” for humans because they cannot be produced from other compounds by the human body and so must be taken in as food.<br /></div> </div>

Neuronal activity shapes the development of astrocytes, shows study

Researchers at Baylor College of Medicine have unraveled the processes that give astrocytes, the most abundant glial cell in the brain, their special bushy shape, which is fundamental for brain function. They report in the journal Nature that neuronal activity is necessary and sufficient for astrocytes to develop their complex shape, and interrupting this developmental process results in disrupted brain function.

“Astrocytes play diverse roles that are vital for proper ,” said first author Yi-Ting Cheng, a graduate student in Dr. Benjamin Deneen’s lab at Baylor. “For instance, they support the activity of other essential brain cells, neurons; participate in the formation and function of synapses, or neuron-to-neuron connections; release neurotransmitters, chemicals that mediate neuronal communication; and make the .”

In the adult brain, the bushy shape of is fundamentally linked to effective brain function. The ends of the branched-out astrocyte structure interact with neurons and regulate synaptic activity.

Photonic Time Crystals Amplify Light for Enhanced Communication and Lasers

Scientists have created two-dimensional photonic time crystals that amplify light, with potential applications in improving wireless communications and laser technology.

Researchers have developed a way to create photonic time crystals and shown that these bizarre, artificial materials amplify the light that shines on them. These findings, described in a paper published in the journal Science Advances.

<em>Science Advances</em> is a peer-reviewed, open-access scientific journal that is published by the American Association for the Advancement of Science (AAAS). It was launched in 2015 and covers a wide range of topics in the natural sciences, including biology, chemistry, earth and environmental sciences, materials science, and physics.

Study finds new pathway for clearing misfolded proteins

Misfolded proteins are toxic to cells. They disrupt normal functions and cause some age-related human degenerative diseases, like Alzheimer’s, Parkinson’s, and Huntington’s diseases. Cells work constantly to eliminate misfolded proteins, but these clearance mechanisms are still poorly understood.

In a new study published April 20 in Nature Cell Biology, researchers at Stanford University discovered a previously unknown cellular pathway for clearing from the , the compartment where the cell stores, transcribes, and replicates its DNA. Keeping junk away from those processes is critical to normal cellular function. The new pathway could be a target for age-related disease therapies.

To find the new pathway, researchers in the lab of Judith Frydman, the Donald Kennedy Chair in the School of Humanities and Sciences, integrated several genetic, imaging, and biochemical approaches to understand how dealt with misfolded proteins. For the experiments, the team restricted misfolded proteins to either the nucleus or the cytoplasm—the area inside the cell but outside the nucleus. The team visually followed the fate of the misfolded proteins through live-cell imaging and super-resolution microscopy.

Quantum circuit learning as a potential algorithm to predict experimental chemical properties

We introduce quantum circuit learning (QCL) as an emerging regression algorithm for chemo-and materials-informatics. The supervised model, functioning on the rule of quantum mechanics, can process linear and smooth non-linear functions from small datasets (100 records). Compared with conventional algorithms, such as random forest, support vector machine, and linear regressions, the QCL can offer better predictions with some one-dimensional functions and experimental chemical databases. QCL will potentially help the virtual exploration of new molecules and materials more efficiently through its superior prediction performances.

Swedish quantum computer applied to chemistry for the first time

There are high expectations that quantum computers may deliver revolutionary new possibilities for simulating chemical processes. This could have a major impact on everything from the development of new pharmaceuticals to new materials. Researchers at Chalmers University have now, for the first time in Sweden, used a quantum computer to undertake calculations within a real-life case in chemistry.

“Quantum computers could in theory be used to handle cases where electrons and atomic nuclei move in more complicated ways. If we can learn to utilize their full potential, we should be able to advance the boundaries of what is possible to calculate and understand,” says Martin Rahm, Associate Professor in Theoretical Chemistry at the Department of Chemistry and Chemical Engineering, who has led the study.

Within the field of quantum chemistry, the laws of quantum mechanics are used to understand which are possible, which structures and materials can be developed, and what characteristics they have. Such studies are normally undertaken with the help of super computers, built with conventional logical circuits. There is however a limit for which calculations conventional computers can handle. Because the laws of quantum mechanics describe the behavior of nature on a subatomic level, many researchers believe that a quantum computer should be better equipped to perform molecular calculations than a conventional computer.

Scientists Discover Mysterious Warm Liquid Spewing From Oregon Seafloor

The field of plate tectonics is relatively new, and researchers are still uncovering the intricacies of geologic faults that cause earthquakes. One such fault, the Cascadia Subduction Zone, is a potentially catastrophic offshore fault located in the Pacific Northwest that has yet to reveal all its secrets. Despite its eerie calmness, it is capable of producing a massive magnitude-9 quake.

A study led by the University of Washington discovered seeps of warm, chemically distinct liquid shooting up from the seafloor about 50 miles off Newport, Oregon. Their research, published in the journal Science Advances.

<em>Science Advances</em> is a peer-reviewed, open-access scientific journal that is published by the American Association for the Advancement of Science (AAAS). It was launched in 2015 and covers a wide range of topics in the natural sciences, including biology, chemistry, earth and environmental sciences, materials science, and physics.