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Spin chains in a quantum system undergo a collective twisting motion as the result of quasiparticles clustering together. Demonstrating this KPZ dynamics concept are pairs of neighboring spins, shown in red, pointing upward in contrast to their peers, in blue, which alternate directions. Credit: Michelle Lehman/ORNL, U.S. Dept. of Energy

Using complementary computing calculations and neutron scattering techniques, researchers from the Department of Energy’s Oak Ridge and Lawrence Berkeley national laboratories and the University of California, Berkeley, discovered the existence of an elusive type of spin dynamics in a quantum mechanical system.

Neutron scattering experiments show electric charges, shown in red, blue and grey, in the SARS-CoV-2 main protease site where telaprevir binds to the structure. The experiments provide critical data for the design of small-molecule drugs to treat COVID-19. Credit: Jill Hemman and Michelle Lehman/ORNL, U.S. Dept. of Energy

Scientists have found new, unexpected behaviors when SARS-CoV-2 – the virus that causes COVID-19 – encounters drugs known as inhibitors, which bind to certain components of the virus and block its ability to reproduce.  

Materials—Engineering heat transport

Scientists have discovered a way to alter heat transport in thermoelectric materials, a finding that may ultimately improve energy efficiency as the materials

Illustration of the intricate organization of the PKA structure, wherein different parts of the protein are connected through elaborate hydrogen bonding networks (dashed yellow lines), glued together by the hydrophobic assemblies (light blue and orange volumes)—all working together to build the functional active site. Insert shows protonation of the transferred phosphoryl group (cyan mesh) and its many interactions with water and the active site amino acid residues. Credit: Jill Hemman/ORNL

OAK RIDGE, Tenn., March 20, 2019—Direct observations of the structure and catalytic mechanism of a prototypical kinase enzyme—protein kinase A or PKA—will provide researchers and drug developers with significantly enhanced abilities to understand and treat fatal diseases and neurological disorders such as cancer, diabetes, and cystic fibrosis.

Neutron scattering allowed direct observation of how aurein induces lateral segregation in the bacteria membranes, which creates instability in the membrane structure. This instability causes the membranes to fail, making harmful bacteria less effective.

As the rise of antibiotic-resistant bacteria known as superbugs threatens public health, Oak Ridge National Laboratory’s Shuo Qian and Veerendra Sharma from the Bhaba Atomic Research Centre in India are using neutron scattering to study how an antibacterial peptide interacts with and fights harmful bacteria.

18-G01703 PinchPoint-v2.jpg

Researchers used neutron scattering at Oak Ridge National Laboratory’s Spallation Neutron Source to investigate bizarre magnetic behavior, believed to be a possible quantum spin liquid rarely found in a three-dimensional material. QSLs are exotic states of matter where magnetism continues to fluctuate at low temperatures instead of “freezing” into aligned north and south poles as with traditional magnets.