From chemical graphs to structures
3D configurations of atoms dictate all materials properties. Quantitative predictions of accurate equilibrium structures, 3D coordinates of all atoms, from a chemical graph, a representation of the structural formula, is a challenging and computation.....»»
Researchers examine protein arrangement in cell membrane that triggers programmed cell death
How can molecular structures be analyzed when the resolution of the techniques available is not sufficient? Researchers from the fields of physics, chemistry and medicine at Heinrich Heine University Düsseldorf (HHU) have combined and further develo.....»»
Theoretical model for multisite alloy catalyst design quantifies active site contributions
Two research teams have developed a novel theoretical model to describe the overall activity of multisite alloy catalysts. In their study published in Journal of the American Chemical Society, they propose a concept of equivalent site ratio and succe.....»»
Space travel comes with risk—SpaceX"s Polaris Dawn mission will push the envelope further than ever
Space is an unnatural environment for humans. We can't survive unprotected in a pure vacuum for more than two minutes. Getting to space involves being strapped to a barely contained chemical explosion......»»
Nature"s own chemistry could help reduce waste and improve health
Researchers are studying chemical processes in nature to develop new, cleaner means of chemical production and computers that can communicate with the human body......»»
Hijacking the command center of the cell: Nuclear parasites in deep-sea mussels
Most animals live in intimate relationships with bacteria. Some of these bacteria live inside the cells of their hosts, but only very few are able to live inside cell organelles (structures inside the cell, like organs in the body). One group of bact.....»»
Bat population collapse linked to increased pesticide use and more than 1,000 infant deaths
Bats are considered a natural pesticide, widely relied on by farmers as an alternative to chemical pesticides to protect their crops from insects. But since 2006, many bat populations have collapsed in counties in North America due to an invasive fun.....»»
New filter removes chemical contaminants from water even at very low concentrations
Pharmaceuticals and personal care products pose a major environmental threat. These chemicals, found in everyday items like medicines and cosmetics, can pollute waterways, harming the plants and animals living in the waterways and the humans who use.....»»
Chemists create industrially important alkyl amines from dinitrogen and alkenes
A critical chemical bond can be assembled using dinitrogen (N2)—a molecule freely available in the air around us—chemists at RIKEN have shown in a new article published in Nature......»»
SF Bay area study reveals chemical levels in bottled, tap and household-treated tap water
A team of water technicians at water testing company SimpleLab has tested chemical levels in hundreds of water samples collected from bottles, household taps and treated tap water in the San Francisco Bay area. Their paper is published in the journal.....»»
New method captures the stochastic dynamics in coherent X-ray imaging at the nanoscale
Coherent X-ray imaging has emerged as a powerful tool for studying both nanoscale structures and dynamics in condensed matter and biological systems. The nanometric resolution together with chemical sensitivity and spectral information render X-ray i.....»»
Assorted, distinctive behavior of molten uranium salt revealed by neutrons
In a paper published in the Journal of the American Chemical Society, researchers have documented for the first time the unique chemistry dynamics and structure of high-temperature liquid uranium trichloride (UCl3) salt, a potential nuclear fuel sour.....»»
Sulfurous acid detected in gas phase under atmospheric conditions for first time
Once again, the atmosphere amazes us with its diverse chemical processes. For the first time, researchers at the Leibniz Institute for Tropospheric Research (TROPOS) in Leipzig have demonstrated the existence of sulfurous acid (H2SO3) under atmospher.....»»
Ancient viral genomes preserved in glaciers reveal climate history—and how viruses adapt to climate change
As humans alter the planet's climate and ecosystems, scientists are looking to Earth's history to help predict what may unfold from climate change. To this end, massive ice structures like glaciers serve as nature's freezers, archiving detailed recor.....»»
Catalytic process vaporizes plastic bags and bottles, yielding gases to make new, recycled plastics
A new chemical process can essentially vaporize plastics that dominate the waste stream today and turn them into hydrocarbon building blocks for new plastics......»»
Shedding light on the mechanism of yeast DNA repair
DNA damage is a cellular phenomenon that introduces structural abnormalities in double-stranded DNA. External factors, such as radiation or chemical agents, as well as internal factors, such as blocked DNA replication, can generate double-strand brea.....»»
Protein mutant stability can be inferred from AI-predicted structures
Researchers at the Center for Algorithmic and Robotized Synthesis within the Institute for Basic Science have taken a significant step forward in understanding the stability of proteins by leveraging the power of AI......»»
Supercomputer simulations reveal the nature of turbulence in black hole accretion disks
Researchers at Tohoku University and Utsunomiya University have made a breakthrough in understanding the complex nature of turbulence in structures called accretion disks surrounding black holes, using state-of-the-art supercomputers to conduct the h.....»»
Scientists develop new chemical tool for infection research
Researchers from Würzburg and Berlin present a new molecule for visualizing the sphingomyelin metabolism. This offers prospects for innovative therapeutic approaches in infection research. The work is published in the journal Nature Communications......»»
Researchers map 50,000 of DNA"s mysterious "knots" in the human genome
Researchers have mapped 50,000 of DNA's mysterious "knots" in the human genome. The innovative study of DNA's hidden structures may open up new approaches for treatment and diagnosis of diseases, including cancer......»»
Simulation model shows ribosome tunnel"s impact on protein structures
Researchers at University of Tsukuba have developed a new model that simulates the internal environment of a ribosome—the cellular site of protein synthesis. Using computer simulations, they have analyzed the structures of various proteins within t.....»»