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...
Symbion QT 2.5. chemometrics software provides Parametric Data Cleaning, a technique that...
The Council on Competitiveness has released a new report that explores the value of government...
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.”
Water was crucial to the rise of life on Earth and is also important to evaluating the possibility of life on other planets. Identifying the original source of Earth’s water is key to understanding how life-fostering environments come into being and how likely they are to be found elsewhere. New work has found that much of our Solar System’s water likely originated as ices that formed in interstellar space.
For the first time, scientists have discovered how to produce ultra-thin "diamond nanothreads" that promise extraordinary properties, including strength and stiffness greater than that of today's strongest nanotubes and polymers. The core of the nanothreads is a long, thin strand of carbon atoms arranged just like the fundamental unit of a diamond's structure.
India celebrated putting a spacecraft into orbit around Mars on September 24, 2014, hoping the rare feat will show the world it is open for business in space exploration and inspire a new generation of homegrown scientists to help drive growth. Those motivations help explain why India, a poor country of 1.2 billion, even invests in a space program when so many of its people lack access to proper toilets, electricity and health care.
Stampede used to Perform Modeling to Advance Potential Drug Targets for Alzheimer's, Parkinson's, SchizophreniaSeptember 23, 2014 3:59 pm | by Jorge Salazar, TACC | News | Comments
It all begins in the brain as a flood, tens of millions of neurotransmitters handed off from one neuron to another in just a fraction of a second. Memories, dreams and learning share a common thread in this exchange of electrical and chemical signals by the nearly 100 billion spindly neurons of the brain, each cell networked to 10,000 others.
An international collaboration has achieved the synthesis of a new class of chemical compounds for superheavy elements. For the first time, a chemical bond was established between a superheavy element — seaborgium (element 106) in the present study — and a carbon atom.
Scientists have generated a new star-shaped molecule made up of interlocking rings, which is the most complex of its kind ever created. Known as a ‘Star of David’ molecule, scientists have been trying to create one for over a quarter of a century. Consisting of two molecular triangles, entwined about each other three times into a hexagram, the structure’s interlocked molecules are tiny.
StarDrop 5.5 is a suite of software for guiding decisions in drug discovery, helping project teams quickly identify high-quality compounds. It works by evaluating complex data, which is often uncertain because of experimental variability or predictive error.
The quest to create artificial “squid skin” — camouflaging metamaterials that can “see” colors and automatically blend into the background — is one step closer to reality, thanks to a color-display technology unveiled by Rice University’s Laboratory for Nanophotonics. The new full-color display technology uses aluminum nanoparticles to create the vivid red, blue and green hues found in today’s top-of-the-line LCD televisions and monitors.
Sentira is a desktop application designed to provide elegant and dynamic visualization for compound data. The software is applicable across many fields of chemistry, enabling users to quickly find patterns in compound data, visualize structure-activity relationships and present and report results.
Earth's protective but fragile ozone layer is beginning to recover, largely because of the phase-out since the 1980s of certain chemicals used in refrigerants and aerosol cans, a U.N. scientific panel reported September 10, 2014, in a rare piece of good news about the health of the planet. Scientists said the development demonstrates that, when the world comes together, it can counteract a brewing ecological crisis.
Chemical reactions drive the mechanisms of life as well as a million other natural processes on earth. These reactions occur at a wide spectrum of temperatures, from those prevailing at the chilly polar icecaps to those at work churning near the earth’s core. At nanokelvin temperatures, by contrast, nothing was supposed to happen. Chemistry was expected to freeze up. Experiments and theoretical work have now show that this is not true.
The 2015 Bio-IT World Conference & Expo plans to unite 3,000+ life sciences, pharmaceutical, clinical, healthcare, and IT professionals from 32+ countries. The Expo provides the perfect venue to share information and discuss enabling technologies that are driving biomedical research and the drug development process.
Journalist and scientific organizations accused the EPA of attempting to muzzle its independent scientific advisers by directing them to funnel all outside requests for information through agency officials. In a letter on August 12, 2014, groups representing journalists and scientists urged the EPA to allow advisory board members to talk directly to news reporters, Congress and other outside groups without first asking for permission.
A NASA-led team of scientists has created detailed 3-D maps of the atmospheres surrounding comets, identifying several gases and mapping their spread at the highest resolution ever achieved. Almost unheard of for comet studies, the 3-D perspective provides deeper insight into which materials are shed from the nucleus of the comet and which are produced within the atmosphere, or coma.
High-tech specks called quantum dots could bring brighter, more vibrant color to mass market TVs, tablets, phones and other displays. A scientist has described a new technology, called 3M quantum dot enhancement film (QDEF), that efficiently makes liquid crystal display (LCD) screens more richly colored. His talk was given at the 248th National Meeting & Exposition of the American Chemical Society (ACS).
No longer just fantastical fodder for sci-fi buffs, cyborg technology is bringing us tangible progress toward real-life electronic skin, prosthetics and ultraflexible circuits. Taking this human-machine concept to an unprecedented level, pioneering scientists are working on the seamless marriage between electronics and brain signaling, with the potential to transform our understanding of how to treat the brain's most devastating diseases.
Printing whole new organs for transplants sounds like something out of a sci-fi movie, but the real-life budding technology could one day make actual kidneys, livers, hearts and other organs for patients who desperately need them. In the ACS journal Langmuir, scientists are reporting new understanding about the dynamics of 3-D bioprinting that takes them a step closer to realizing their goal of making working tissues and organs on-demand.
ArxLab Notebook is a Web-based electronic notebook application. Its SaaS platform is intended for use in experimental sciences; it is preconfigured for chemistry and biology workflows while supporting free-form research notes and data. The software provides full audit trails, electronic signatures, witnessing workflows and built-in sharing functionality.
Over the years, computer chips have gotten smaller, thanks to advances in materials science and manufacturing technologies. This march of progress, the doubling of transistors on a microprocessor roughly every two years, is called Moore’s Law. But there’s one component of the chip-making process in need of an overhaul if Moore’s law is to continue: the chemical mixture called photoresist.
An international team of scientists has discovered that vampire bat venom contains molecules capable of evading the victim’s immune system. The results point to entirely new forms of anticoagulants in the venom, as well as novel molecules that cause dilation of the small arteries near the skin.
The discovery 30 years ago of soccer-ball-shaped carbon molecules called buckyballs helped to spur an explosion of nanotechnology research. Now, there appears to be a new ball on the pitch. Researchers have shown that a cluster of 40 boron atoms forms a hollow molecular cage similar to a carbon buckyball. It’s the first experimental evidence that a boron cage structure — previously only a matter of speculation — does indeed exist.
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