Science Highlights

Date Postedsort ascending
TOP: cluster model of drug intercalated in between two Watson-Crick base-pairs connected by sugar puckers and phosphate groups. BOTTOM: neutral “wild-type” ellipticine, R equation image denote sites of groups permitted to mutate. To view a larger version of the image, click on it.
Machine-learning algorithm aims to accelerate materials discovery

A research team is developing an algorithm that combines quantum chemistry with machine learning (artificial intelligence) to enable atomistic simulations that predict the properties of new materials with unprecedented speed.

July 16, 2013
Current dependence of (a) non-linear amplication factor (1 + v2), and (b) integrated power at the three angles.
Motion of nanomagnet oscillators

Nanopillars consisting of two magnetic layers separated by an insulating or non-magnetic metal can exhibit oscillations: a constant current can make the magnetization in one layer precess with frequencies in the gigahertz range.

July 15, 2013
Figure 1: NDM-1 in complex with hydrolyzed ampicillin. Stereoview of the active site, with carbon atoms in the protein shown in cyan; those in the substrate are pink. Nitrogen atoms are blue, oxygen atoms are red, sulfur atoms are yellow, and zinc ions are magenta. An oriented water molecule (W) is gray. The Fo-Fc electron density around the substrate is contoured at 3σ. Dashed lines indicate key interactions between the protein and zinc ions. To view a larger version of the image, click on it.
Solving the catalytic pathway of antibiotic resistance

First identified in the bacteria Klebsiella pneumonia, a novel enzyme NDM-1 hydrolyzes and inactivates nearly all antibiotics with startling efficiency.

June 25, 2013
Researchers utilized Argonne's Advanced Photon Source to learn new information on how uranium interacts with magnetite and behaves within the complex chemical environment of the subsurface.
Impurities in natural minerals can affect uranium mobility

Past mining of uranium for use as an energy source and from enrichment and weapons production activities at sites managed by the U.S.

June 17, 2013
Structure of HetR–DNA complex
Structures of complexes comprised of Fischerella transcription factor HetR with Anabaena DNA targets

The three-dimensional structures of the protein called HetR from cyanobacterium Anabaena in complex with symmetric DNA were determined during this research project.

June 11, 2013
The drug Votrient, or Pazopanib, was approved in 2009 to fight advanced kidney cancer and in 2012 to fight advanced soft tissue sarcoma. Now, according to a New York Times article, a new study shows the drug may delay ovarian cancer relapses.
Study shows possible expanded use for cancer drug

A cancer drug developed at the Advanced Photon Source may be following a local tradition and going for a Chicago Bulls-like three-peat.

June 5, 2013
White House Women's Leadership Summit on Climate and Energy recognizes Argonne scientists

The White House Women’s Leadership Summit on Climate and Energy is recognizing today a select group of women experts from the public, private, academic and philanthropic sectors who are working to address climate change. Three Argonne researchers – Robin Graham, Leah Guzowski and Ann Schlenker – are part of this select group.

May 23, 2013
To view a larger version of the image, click on it.
First look at cellulose’s early production could hold keys to bacteria-free medical devices, better biofuel

By using the high-energy X-rays produced by the Advanced Photon Source at the U.S. Department of Energy’s Argonne National Laboratory, researchers from the University of Virginia have discovered how cellulose is produced at the molecular level.

May 14, 2013
A look at the Advanced Photon Source. To view a larger version of the image, click on it.
The superpower behind iron oxyfluoride battery electrodes

A team of scientists utilized high-energy X-rays from the U.S. Department of Energy’s Advanced Photon Source at Argonne National Laboratory to investigate the fundamental basis for the performance advantage offered by mixed-anion iron oxyfluoride conversion electrodes over electrodes made of simple oxide or fluoride phases.

April 18, 2013
In roaming radical reactions, one bond in a molecule becomes greatly extended and, before the nascent radicals completely separate, they reorient and react, leading to unexpected products.
Dynamic separability of multiple reaction pathways

Paper shows that tight and roaming pathways may be treated as separable to a good approximation. Authors identify features of the potential energy landscape that serve as mechanism dividers.

April 15, 2013