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The Lead

Jeffrey Potoff is a professor of Chemical Engineering and Materials Science, and Loren Schwiebert is an associate professor of Computer Science at Wayne State University.

Using Powerful GPU-Based Monte Carlo Simulation Engine to Model Larger Systems, Reduce Data Errors, Improve System Prototyping

July 22, 2014 8:33 am | by Jeffrey Potoff and Loren Schwiebert | Blogs | Comments

Recently, our research work got a shot in the arm because Wayne State University was the recipient of a complete high-performance compute cluster donated by Silicon Mechanics as part of its 3rd Annual Research Cluster Grant competition. The new HPC cluster gives us some state-of-the-art hardware, which will enhance the development of what we’ve been working on — a novel GPU-Optimized Monte Carlo simulation engine for molecular systems.

Computer Models Reveal Quantum Effects in Biological Oxygen Transport

July 18, 2014 3:41 pm | by Trinity College | News | Comments

Physicists have created a unique combination of computer models, based on the theory of quantum...

Fundamental Chemistry Findings Could Help Extend Moore’s Law

July 16, 2014 11:49 am | by Lawrence Berkeley National Laboratory | News | Comments

Over the years, computer chips have gotten smaller, thanks to advances in materials science and...

Vampire Bat Venom Could Hold Key to New Drugs for Stroke, High Blood Pressure

July 15, 2014 4:38 pm | by University of Queensland | News | Comments

An international team of scientists has discovered that vampire bat venom contains molecules...

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Chemists Discover Boron Buckyball

July 15, 2014 11:55 am | by Brown University | News | Comments

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.

Own Your Own Data: System allows you to Pick and Choose what Data to Share

July 11, 2014 3:00 pm | by Larry Hardesty | MIT News Office | News | Comments

Cellphone metadata has been in the news quite a bit lately, but the National Security Agency isn’t the only organization that collects information about people’s online behavior. Newly downloaded cellphone apps routinely ask to access your location information, your address book or other apps and, of course, Web sites like Amazon or Netflix track your browsing history in the interest of making personalized recommendations.

Brain Cancer Stem Cells from Human Brain Cancer Tissue

July 11, 2014 12:23 pm | News | Comments

This 200x photo of brain cancer stem cells from human brain cancer tissue received an Image of Distinction designation in the 2013 Nikon Small World Photomicrophotography Competition, which recognizes excellence in photography with the optical microscope. It was taken using immunofluorescence.

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Core ELN Chemistry App on Platform for Science

July 11, 2014 12:16 pm | Core Informatics, ChemAxon, Ltd. | Product Releases | Comments

Core ELN (electronic lab notebook) is a chemistry application for Platform for Science that is designed to help chemists document research activities and compound registration in the cloud. It is made possible through Platform for Science’s Platform-as-a-Service (sPaaS).

SLAS2015

July 11, 2014 10:24 am | by SLAS | Events

SLAS is a global organization that provides forums for education and information exchange to encourage study and professional collaboration aimed at advancing laboratory science and technology for the drug discovery, biotechnology, chemical, data informatics, clinical diagnostic, consumer product, pharmaceutical, and other industries.

National Data Service kicks off with the Materials Data Facility

July 9, 2014 4:12 pm | by Amber Harmon | News | Comments

In nearly every field of science, experiments, instruments, observations, sensors, simulations, and surveys are generating massive data volumes that grow at exponential rates. Discoverable, shareable data enables collaboration and supports repurposing for new discoveries — and for cross-disciplinary research enabled by exchange across communities that include both scientists and citizens.

Bottom-up Proteomics: Supercomputer helps Researchers Interpret Genomes

July 9, 2014 3:30 pm | by NSF | News | Comments

Tandem protein mass spectrometry is one of the most widely used methods in proteomics, the large-scale study of proteins, particularly their structures and functions. Researchers in the Marcotte group at the University of Texas at Austin are using the Stampede supercomputer to develop and test computer algorithms that let them more accurately and efficiently interpret proteomics mass spectrometry data.

Pittcon 2015 Technical Program Places Emphasis on Energy and Fuels

July 8, 2014 4:05 pm | by Pittcon | News | Comments

The Program Committee has announced a call for papers for the Pittcon 2015 Technical Program.  Abstracts are currently being accepted for contributed oral and poster presentations in areas such as, but not limited to, analytical chemistry, applied spectroscopy, life science, bioanalysis, food science, nanotechnology, environmental science and pharmaceutical. The 2015 committee is especially interested in topics relevant to energy and fuels.

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Statistical Analysis Could Improve Understanding and Treatment of Different Brain Tumors

July 7, 2014 10:21 am | by Qlucore | News | Comments

Discovering a brain tumor is a very serious issue, but it is not the end of the story. There are many different types of brain tumor with different survival rates and different methods for treatment. However, today, many brain tumors are difficult to clearly diagnose, leading to poor prognoses for patients.

Neuronal Differentiation

July 2, 2014 11:21 am | News | Comments

This 20x image of neuroprecursor stem cells undergoing neuronal differentiation received an Image of Distinction designation in the 2013 Nikon Small World Photomicrophotography Competition, which recognizes excellence in photography with the optical microscope. The confocal photo was taken by Regis Grailhe and Arnaud Ogier of Institut Pasteur Korea in Seongnam, Gyeonggi-do, South Korea.

Liquid Water Exists in Extreme Cold

July 2, 2014 10:59 am | by SLAC National Accelerator Laboratory | News | Comments

Scientists at the Department of Energy’s SLAC National Accelerator Laboratory have made the first structural observations of liquid water at temperatures down to minus 51 degrees Fahrenheit, within an elusive “no man’s land” where water’s strange properties are super-amplified.

Muscle-powered Bio-bots Walk on Command

July 1, 2014 10:18 am | by University of Illinois | News | Comments

Engineers at the University of Illinois at Urbana-Champaign demonstrated a class of walking “bio-bots” powered by muscle cells and controlled with electrical pulses, giving researchers unprecedented command over their function.       

This 65x image shows an inner ear from a Claudin 11-null mouse revealing the distribution of tight junctions (blue).

Mouse Inner Ear

June 30, 2014 8:40 am | News | Comments

This 65x image shows an inner ear from a Claudin 11-null mouse revealing the distribution of tight junctions (blue). The brightfield photo taken by Dr. Alexander Gow and Cherie Southwood of Wayne State University, Department of Genetics, Detroit, Michigan received an Image of Distinction designation in the 2013 Nikon Small World Photomicrophotography Competition, which recognizes excellence in photography with the optical microscope.

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Scientists discover and describe a new species of spider from Mexico. The new species belongs to the enigmatic family Paratropididae that is distinguished by representatives who possess unique camouflaging abilities.

New Spider Species Uses Dirt Camouflage

June 25, 2014 10:06 am | by Pensoft Publishers | News | Comments

Scientists discover and describe a new species of spider from Mexico. The new species belongs to the enigmatic family Paratropididae that is distinguished by representatives who possess unique camouflaging abilities.         

Supercomputer simulations have shown that clusters of a protein linked to cancer warp cell membranes

Cancer Chain in the Membrane

June 24, 2014 9:57 am | by Jorge Salazar, Texas Advanced Computing Center | News | Comments

Supercomputer simulations have shown that clusters of a protein linked to cancer warp cell membranes. This research on these protein clusters, or aggregates as scientists call them, could help guide design of new anticancer drugs.     

Nerve agent sarin bound to bioscavenger enzyme

Chemical Weapons: Engineering Enzymes to Neutralize Nerve Agents

June 17, 2014 2:15 pm | by The University of Tennessee | News | Comments

Researchers at The University of Tennessee are a step closer to creating a prophylactic drug that would neutralize the deadly effects of the chemical weapons used in Syria and elsewhere. Jeremy Smith, UT-ORNL Governor’s Chair and an expert in computational biology, is part of the team that is trying to engineer enzymes — called bioscavengers — so they work more efficiently against chemical weapons. 

One of the newly discovered species surprises with a size larger than a ping-pong ball. Another special characteristic of the genus is that its species have the largest chirping organs of any millipede, which are most probably used during mating.

New Species of Ancient Chirping Giant Pill-Millipedes found in Madagascar

June 16, 2014 12:52 pm | by Pensoft Publishers | News | Comments

Researchers have discovered seven new species of chirping giant pill-millipedes. The species discovered all belong to the genus Sphaeromimus, which is Latin for 'small ball animal.' However, the designation 'small' is not always true for members of the genus, as one of the newly discovered species surprises with a size larger than a ping-pong ball. Another special characteristic is the largest chirping organs of any millipede.

The quest to create artificial blood is big business, with the past 25 years seeing up to £2 billion invested globally on research into a usable alternative and many major US companies falling by the wayside in the hunt for a substitute.

The Quest for Blood: Finding a Long-lasting, One-size-fits-all Viable Substitute

June 12, 2014 3:47 pm | by University of Essex | News | Comments

Every day thousands of people around the world have their lives saved or improved thanks to someone giving blood. But imagine how many more lives could be saved if a long-lasting blood substitute could be found, which could easily be stored at room temperature and available to all patients, regardless of their blood type. This is the challenge a team of scientists at the University of Essex are hoping to overcome with their Haem02 project 

By means of an algorithm, increasing networking of students on Facebook can be displayed according to their age. Courtesy of Michael Hamann, KIT

Algorithms for Big Data: Optimizing Daily, Routine Processing

June 10, 2014 4:32 am | by Karlsruhe Institute of Technology | News | Comments

Computer systems today can be found in nearly all areas of life, from smartphones to smart cars to self-organized production facilities. These systems supply rapidly growing data volumes, and computer science now faces the challenge of processing these huge amounts of data (big data) in a reasonable and secure manner.

Mouse osteoblasts growing over 3D matrixes developed from food industry waste Courtesy of Milagros Ramos and Ana Martínez Serrano, CTB-UPM

Beer Brewing Waste could Help Bone Regeneration

June 9, 2014 2:38 pm | by Universidad Politécnica de Madrid | News | Comments

Researchers have developed biomaterials for bone regeneration from beer brewing waste. The waste obtained from the beer brewing process contains the main chemical components found in bones (phosphorus, calcium, magnesium and silica). After undergoing modification processes, this waste can be used as support or scaffold to promote bone regeneration for medical applications, such as coating prosthesis or bone grafts.

High-resolution CESM simulation run on Yellowstone. This featured CAM-5 spectral element at roughly 0.25deg grid spacing, and POP2 on a nominal 0.1deg grid.

Building Momentum for Code Modernization: The Intel Parallel Computing Centers

June 9, 2014 12:06 pm | by Doug Black | Articles | Comments

Like a Formula One race car stuck in a traffic jam, HPC hardware performance is frequently hampered by HPC software. This is because some of the most widely used application codes have not been updated for years, if ever, leaving them unable to leverage advances in parallel systems. As hardware power moves toward exascale, the imbalance between hardware and software will only get worse. The problem of updating essential scientific ...

June 2014 ISC'14 Special Edition

June 2014 ISC'14 Special Edition

June 6, 2014 9:47 am | by SC | Digital Editions | Comments

Scientific Computing | HPC Source, June 2014 ISC'14 Special Edition

A Sept. 6, 2008, photo of Alexander Shulgin in San Francisco. Shulgin, a respected chemist famed for dusting off a decades-old recipe for the psychedelic drug ecstasy, died Monday, June 3, 2014, at his Northern California home. He was 88. (AP Photo/Greg M

Ecstasy Chemist Shulgin, 88, Dies in California

June 5, 2014 5:37 pm | by Paul Elias, Associated Press | News | Comments

Alexander Shulgin, a respected chemist famed for dusting off a decades-old recipe for the psychedelic drug ecstasy, died June 2, 2014, at his Northern California home. He was 88. Shulgin's wife, Ann, said liver cancer was the cause. She said he had been diagnosed about a year ago and was surrounded by family and friends when he died at "the farm," his sprawling residence and lab in a remote part of Lafayette, CA

A blind huntsman spider, the first of its kind in the world without any eyes, something scientists say is attributable to living permanently without daylight, found in Laos. The WWF said Thursday, June 5, 2014 some of the more remarkable and charismatic

Blind Huntsman Spider, Dragon Fish among Dozens of New Species in Myanmar

June 5, 2014 5:33 pm | by AP | News | Comments

A dragon fish with intricate, maze-like markings on every scale, a frog with rough, chocolate-colored skin and a ginger plant are among more than two dozen flora and fauna species found in Myanmar since it emerged from a half-century of military rule and isolation.

Do chromatography data systems (CDS) have adequate functions to help analytical scientists meet requirements when the pharmacopoeia is updated?

New CDS Functions to Meet New Regulatory Requirements?

June 5, 2014 4:17 pm | by R.D. McDowall | Articles | Comments

A recent United States Pharmacopoeia (USP) stimulus to the revision process paper1 has taken a life cycle approach to the development, validation and use of analytical procedures. Do chromatography data systems (CDS) have adequate functions to help analytical scientists meet these requirements when the pharmacopoeia is updated?

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