Bacterial microcompartment proteins can assemble into multiple structures, such as sheets, shells, and intermediates. While this is shown artistically in this figure, we study the differences in the pore dynamics within bacterial microcompartment assemblies to assess potential changes in permeability. Read more »
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Caught in the Actinium
In this work, researchers demonstrated a macromolecular scaffold that combines an 8-coordinate synthetic ligand and a mammalian protein to characterize the solution and solid-state behavior of the longest-lived actinium isotope. The information could help design better cancer treatments. Read more »
Tracking the reaction networks of acetaldehyde oxide and glyoxal oxide Criegee intermediates in the ozone-assisted oxidation reaction of crotonaldehyde
Criegee intermediates (CIs) are an important class of reactive intermediates with strong oxidizing capability, contributing to the oxidation of atmospheric SOx, NOx, and oxygenated organic compounds. In this work, the reaction networks of two CIs with the same carbon number but different functionality, formed in the ozone-assisted oxidation reaction of crotonaldehyde, are investigated. Read more »
Engineered π⋯π interactions favour supramolecular dimers X@[FeL3]2(X = Cl, Br, I): solid state and solution structure
Intermolecular interactions drive the formation of biological supramolecular architectures, inspiring the design of artificial supramolecular assemblies and molecular machines. Here, the engineering of supramolecular interactions allows selection of a self-recognition process of dimerization over one of helicate-cage formation. Read more »
Double-Helical Tiled Chain Structure of the Twist-Bend Liquid Crystal Phase in CB7CB
The structure of the twist-bend (TB) phase of the bent dimer CB7CB and its mixtures with 5CB is characterized, revealing a hidden invariance of the self-assembly of the TB structure. Remarkably, the distance along the length for a single turn of this helix is given by 2πRmol, where Rmol is the radius of the bend curvature of a single all-trans CB7CB molecule. Read more »
Time-Resolved SAXS Screen of Small-Molecule Drug Candidates
Time-resolved, high-throughput, small-angle x-ray scattering improved the screening of small-molecule drug candidates, providing insight into how they stimulate structural transitions in protein targets. The work will speed the discovery of treatments designed to activate biomolecular dynamics associated with desired therapeutic outcomes. Read more »
Mechanistic Insight into a Viral-Factory Component
Recent protein-structure studies conducted at the ALS provided mechanistic insights into the function of a protein (σNS) involved in viral replication. Understanding these mechanisms will foster the development of therapeutic strategies against viruses that use σNS-like proteins to replicate. Read more »
ALS Computing Group Brings Machine Learning Models to Beamtimes around the World
The ALS computing team is developing tools to help users make the most of their beamtime and eliminate bottlenecks that currently exist. They have been traveling around the world and collaborating across facilities to develop advanced data processing solutions that will yield more meaningful data. Read more »
Revealing unprecedented cathode interface behavior in all-solid-state batteries with oxychloride solid electrolytes
This research provides crucial insights into the innovative design of high-performance all-solid-state batteries (ASSLBs) based on the promising lithium tantalum oxychloride (LTOC) solid electrolytes. Read more »
Engineering Lipophilic Aggregation of Adapalene and Adamantane-Based Cocrystals via van der Waals Forces and Hydrogen Bonding
Adamantanes are emerging building blocks for active pharmaceutical ingredients. In this work, we sought to understand how systematic modification of the hydrophobic cage in adamantanes could result in changes to crystal packing in single and multicomponent organic solids. Read more »
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