Archive for the ‘chemistry’ category: Page 264

Mar 24, 2016

Modified NWChem Code Utilizes Supercomputer Parallelization

Posted by in categories: chemistry, climatology, evolution, materials, quantum physics, supercomputing

Quicker time to discovery. That’s what scientists focused on quantum chemistry are looking for. According to Bert de Jong, Computational Chemistry, Materials and Climate Group Lead, Computational Research Division, Lawrence Berkeley National Lab (LBNL), “I’m a computational chemist working extensively with experimentalists doing interdisciplinary research. To shorten time to scientific discovery, I need to be able to run simulations at near-real-time, or at least overnight, to drive or guide the next experiments.” Changes must be made in the HPC software used in quantum chemistry research to take advantage of advanced HPC systems to meet the research needs of scientists both today and in the future.

NWChem is a widely used open source software computational chemistry package that includes both quantum chemical and molecular dynamics functionality. The NWChem project started around the mid-1990s, and the code was designed from the beginning to take advantage of parallel computer systems. NWChem is actively developed by a consortium of developers and maintained by the Environmental Molecular Sciences Laboratory (EMSL) located at the Pacific Northwest National Laboratory (PNNL) in Washington State. NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.

“Rapid evolution of the computational hardware also requires significant effort geared toward the modernization of the code to meet current research needs,” states Karol Kowalski, Capability Lead for NWChem Development at PNNL.

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Mar 24, 2016

DNA Devices Perform Bio-Analytical Chemistry Inside Live Cells

Posted by in categories: biotech/medical, chemistry, electronics, nanotechnology

Last summer, the team reported another achievement: the development of a DNA nanosensor that can measure the physiological concentration of chloride with a high degree of accuracy.

“Yamuna Krishnan is one of the leading practitioners of biologically oriented DNA nanotechnology,” said Nadrian Seeman, the father of the field and the Margaret and Herman Sokol Professor of Chemistry at New York University. “These types of intracellular sensors are unique to my knowledge, and represent a major advance for the field of DNA nanotechnology.”

Chloride sensor

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Mar 14, 2016

Get ready for DNA-based computer chips!

Posted by in categories: chemistry, computing, electronics, materials, nanotechnology

Interesting — DNA Microchips to be released soon.

Researchers presented this incredible work at the national meeting and exposition of the American Chemical Society (ACS) in San Diego, California, on Sunday.

Adam T Woolley, professor of chemistry at Brigham Young University (BYU) said that they are planning to use DNA’s small size and base-pairing capabilities and ability to self-assemble, and direct it to make nanoscale structures that could be used for electronics.

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Mar 14, 2016

Researchers create new triple helix structure for DNA — Many potential uses in chemistry, tissue engineering, etc

Posted by in categories: biotech/medical, chemistry, engineering, nanotechnology

Could a cheap molecule used to disinfect swimming pools provide the key to creating a new form of DNA nanomaterials?

Cyanuric acid is commonly used to stabilize chlorine in backyard pools; it binds to free chlorine and releases it slowly in the water. But researchers at McGill University have now discovered that this same small, inexpensive molecule can also be used to coax DNA into forming a brand new structure: instead of forming the familiar double helix, DNA’s nucleobases — which normally form rungs in the DNA ladder — associate with cyanuric acid molecules to form a triple helix.

Read More ON Mcgill University

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Mar 12, 2016

Craig Venter: Future Pathways for Synthetic Genomics

Posted by in categories: bioengineering, biological, chemistry, computing

Life’s chemistry, it appears, is quite kludgy. Such computer metaphors help explain Dr. Venter’s perspective on synthetic biology. Is a genomic version of Moore’s Law in the offing?

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Mar 11, 2016

Digital CMOS Camera Series Boosts Quantum Efficiency (QE) For Breakthrough Photon Detection Capability

Posted by in categories: chemistry, nanotechnology, quantum physics, security

Digital CMOS camera with QE technology with improved photon detection capabilities — now this should interest to many medical departments, researchers, and even for security checkpoint screening.

Hamamatsu Corporation has again raised the bar in scientific CMOS camera performance with the 2016 version of the ORCA-Flash4.0 V2. The increased quantum efficiency (QE), now at a peak of 82%, increases the likelihood of detecting the faintest of signals, helping to answer the question “Is it there?” And, for brighter samples, higher QE translates into shorter exposure times without sacrificing image quality. The ORCA-Flash4.0 V2 opens up new possibilities for imaging in low conditions and improves signal to noise at all light levels.

Since its introduction and evolution, the ORCA-Flash4.0 series has become the favorite scientific CMOS camera of investigators everywhere, powering cutting-edge imaging research in every field from biology and chemistry to astrophysics and nanotechnology. The widespread appeal is due to the vast array of high-performance features: low read noise, large field of view, high dynamic range and fast frame rates. The newly enhanced QE of the “Flash V2” only serves to increase the power and versatility of this game-changing camera.

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Mar 9, 2016

Chemists unravel their carbon ramen

Posted by in categories: chemistry, materials, nanotechnology

Noodle-like nanostructures emerge as a cheap alternative to graphene.

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Mar 7, 2016

Chemists get the ball rolling on titanium oxide fullerenes

Posted by in categories: chemistry, particle physics

Constructing the 1st 42 titanium atoms fullerene style structure.

Titanium oxide nanocluster has been captured under electron microscope.

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Mar 1, 2016

Scientists aim to harness power of body’s electrical impulses to treat patients

Posted by in categories: biotech/medical, chemistry

I am so glad to see this finally. Researchers aim to turn our electrical impulses into a mainstay of medical treatment through bioelectronics, or electroceuticals. I have study the neurological sensory patterns for over a decade as side research to help myself understand sensory patterns of the brain as well as how the brain repairs cells, injuries, and other conditions as well as it’s involvement with cancer, etc. I do love this.

We finally may see a day when chemical/ artificial meds are no longer needed to treat many conditions.

Until now the pharmaceutical industry has been based on chemistry and biology. Patients are treated with drugs that work through biochemical interactions with the body’s molecular pathways. Now GlaxoSmithKline, the UK pharmaceutical company, is.

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Feb 27, 2016

A practical solution to mass-producing low-cost nanoparticles

Posted by in categories: 3D printing, biotech/medical, chemistry, health, robotics/AI

Nanoparticles form in a 3-D-printed microfluidic channel. Each droplet shown here is about 250 micrometers in diameter, and contains billions of platinum nanoparticles. (credit: Richard Brutchey and Noah Malmstadt/USC)

USC researchers have created an automated method of manufacturing nanoparticles that may transform the process from an expensive, painstaking, batch-by-batch process by a technician in a chemistry lab, mixing up a batch of chemicals by hand in traditional lab flasks and beakers.

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