In 1996, a trio of scientists won the Nobel Prize for Chemistry for their discovery of Buckminsterfullerene — soccer-ball-shaped spheres of 60 joined carbon atoms that exhibit special physical properties. Now, 20 years later, scientists have figured out how to turn them into Buckybombs. These nanoscale explosives show potential for use in fighting cancer, with the hope that they could target and eliminate cancer at the cellular level.
Breakthrough science requires pioneers. People who combine brilliance with courage, even in the...
The ACD/Spectrus Portal is a Web-based interface that provides vendor neutral, multi-technique...
Liquid water is a requirement for life on Earth. But in other, much colder worlds, life might...
Leonard Nimoy, the actor known and loved by generations of Star Trek fans as the pointy-eared, purely logical science officer Mr. Spock, has died. Nimoy died Friday of end-stage chronic obstructive pulmonary disease at his Los Angeles home, with family at his side, said his son, Adam Nimoy. He was 83.
Pull on a piece of plastic at separate ends; it becomes thinner. So does a rubber band. One might assume tha,t when a force is applied along an axis, materials will always stretch and become thinner. Wrong. Thanks to their peculiar internal geometry, auxetic materials grow wider. After confounding scientists for decades, researchers are now developing mathematical models to explain the unusual behavior of these logic-defying materials
We computational chemists are an impatient lot. Despite the fact that we routinely deal with highly complicated chemical processes running on our laboratory’s equally complex HPC clusters, we want answers in minutes or hours, not days, months or even years. In many instances, that’s just not feasible; in fact, there are times when the magnitude of the problem simply exceeds the capabilities of the HPC resources available to us.
As scientific researchers, we are often surprised by some of the assumptions made about us by those outside our profession. So we put together a list of common myths we and our colleagues have heard anecdotally regarding scientific researchers.
How can we preserve our knowledge today for the next millennia? Researchers have found a way to store information in the form of DNA, preserving it for nearly an eternity. As encapsulation in silica is roughly comparable to that in fossilized bones, researchers could draw on prehistoric information about long-term stability and calculate a prognosis: through storage in low temperatures, DNA-encoded information can survive.
Researchers have cracked a code that governs infections by a major group of viruses, including the common cold and polio. The unnoticed code had been hidden in plain sight in the sequence of the ribonucleic acid (RNA) that makes up this type of viral genome. But researchers have unlocked its meaning and demonstrated that jamming the code can disrupt virus assembly. Stopping a virus assembling can stop it functioning.
ACD/Labs 2015 cheminformatics software builds upon the capabilities of the ACD/Spectrus and ACD/Percepta platforms. The ACD/Spectrus Platform is designed to make it easier for organizations to handle unified analytical data from multiple techniques and instruments. The ACD/Percepta Platform features improvements in the speed of calculation of physicochemical and ADME-Tox properties and expanded capabilities to leverage organizational knowledge.
The Biomolecule Toolkit is a Web service-based toolkit designed to bridge the gap between biology and chemistry for complex biomolecular entities. It provides unambiguous representation at the sequence and atomic level for a diverse set of biomolecules such as peptides, oligonucleotides, proteins and antibody drug conjugates, including those containing unnatural and chemically-modified components, thereby allowing their storage, indexing and search within a database.
Pope Francis, who pledged on the day of his installation as pontiff to make the environment a priority, is drafting a highly anticipated encyclical on ecology and climate change. Environmentalists are thrilled by the prospect of a rock-star pope putting his moral weight behind efforts to curb global warming. Francis said he wanted the document to be released in time to be read before the next round of U.N. climate treaty talks in Paris.
By analyzing the light of hundreds of thousands of celestial objects, astronomers have created a unique map of enigmatic molecules in our galaxy that are responsible for puzzling features in the light from stars, called diffuse interstellar bands. DIBs have been a mystery ever since they were discovered in 1922 — exactly which of the many thousands of possible molecules are responsible for these features?
The human lament that things in the past were much simpler is an accurate observation made from the perspective of riding along an exponentially increasing complexity curve. Examining the present or looking into the future can be a confusing torrent of concepts, vocabulary and technologies that appear to be spiraling out-of-control. At the First IEEE Integrated STEM Education Conference, Professor Steve Zilora reflected on this increase...
Working at temperatures matching the interior of the sun, researchers have been able to determine, for the first time in history, iron’s role in inhibiting energy transmission from the Sun's center to near the edge of its radiative band. Because that role is much greater than formerly surmised, the experimentally derived amount of iron’s opacity helps close a theoretical gap in the Standard Solar Model, used to model the behavior of stars.
NASA's Mars Curiosity rover has measured a tenfold spike in methane, an organic chemical, in the atmosphere around it and detected other organic molecules in a rock-powder sample collected by the robotic laboratory’s drill. Researchers used Curiosity’s onboard Sample Analysis at Mars laboratory a dozen times in a 20-month period to sniff methane in the atmosphere. During two of those months, four measurements averaged seven ppb.
Using a computer algorithm that can sift through mounds of genetic data, researchers from Brown University have identified several networks of genes that, when hit by a mutation, could play a role in the development of multiple types of cancer. The algorithm, called Hotnet2, was used to analyze genetic data from 12 different types of cancer assembled as part of the pan-cancer project of The Cancer Genome Atlas (TCGA).
Although there are a diverse range of applications for predictive analytics in R&D, two common basic requirements are data and insight. Data may be generated by running experiments/analyses, or re-applied from previous work when available. Insights come from application of knowledge — both explicitand tacit. There are a variety of roles for informatics in predictive analytics...
The mystery of where Earth's water came from got murkier on December 10, 2014, when some astronomers essentially eliminated one of the chief suspects: comets. Over the past few months, the European Space Agency's Rosetta space probe closely examined the type of comet that some scientists theorized could have brought water to our planet 4 billion years ago. It found water, but the wrong kind.
At a White House ceremony on November 20, 2014, President Obama presented the National Medal of Science and National Medal of Technology and Innovation to individuals who have made outstanding contributions to science and engineering. The awards are the nation's highest honors for achievement and leadership in advancing the fields of science and technology.
An interview with PNNL’s Karol Kowalski, Capability Lead for NWChem Development - NWChem is an open source high performance computational chemistry tool developed for the Department of Energy at Pacific Northwest National Lab in Richland, WA. I recently visited with Karol Kowalski, Capability Lead for NWChem Development, who works in the Environmental Molecular Sciences Laboratory (EMSL) at PNNL.
Card View is designed to provide a unique way to look at compound data, clearly representing the relationships between compounds to highlight the best chemistries and optimization strategies. It presents compound structures and associated data on cards that can be moved, stacked and linked in a unique, flexible environment.
Symbion QT 2.5. chemometrics software provides Parametric Data Cleaning, a technique that automates the handling of data compromised by excessive noise or other artifacts. Key cleaning parameters are under the control of the analyst, allowing chemometric optimization under a wide range of analytical situations.
The Council on Competitiveness has released a new report that explores the value of government leadership in supercomputing for industrial competitiveness, titled Solve. The Exascale Effect: the Benefits of Supercomputing Investment for U.S. Industry. As the federal government pursues exascale computing to achieve national security and science missions, Solve examines how U.S.-based companies also benefit from leading-edge computation
New maps of Saturn’s moon Titan reveal large patches of trace gases shining brightly near the north and south poles. These regions are curiously shifted off the poles, to the east or west, so that dawn is breaking over the southern region while dusk is falling over the northern one.
Scientists have used computer simulations to show how bacteria are able to destroy antibiotics — a breakthrough that will help develop drugs which can effectively tackle infections in the future. Researchers at the University of Bristol focused on the role of enzymes in the bacteria, which split the structure of the antibiotic and stop it from working, making the bacteria resistant.
UN-SCAN-IT Gel 7.1 gel analysis software converts virtually any scanner, digital camera or other image input device into an accurate high‑speed densitometer and digitizer system. Features include a zoomable and scalable analysis screen, lane analysis, segment analysis, dot blot analysis, color and grayscale gel analysis, clone drawing mode, MW calculation and calibration curves.
The Royal Swedish Academy of Sciences has awarded the Nobel Prize in Chemistry to Eric Betzig of Janelia Farm Research Campus, Howard Hughes Medical Institute, Stefan W. Hell of the Max Planck Institute for Biophysical Chemistry, Göttingen and German Cancer Research Center, and William E. Moerner of Stanford University “for the development of super-resolved fluorescence microscopy.”
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