Showing 79 results for Author: Naresh C. Osti
Sep, 2026
Journal
Understanding how water behaves when confined within atomic layers of active transition-metal carbides, nitrides, and carbonitrides is essential for uncovering the fundamental principles needed to engineer solid–liquid interfaces at the atomic scale. Yet, how lattice element chemistry and surface termination groups collectively regulate the structure and mobility of such i…
Sep, 2026
Journal
The mu-opioid receptor (MOR), a class A G protein-coupled receptor mediates opioid analgesia and remains a central target for pain therapeutics. While crystal structures of MOR exist, they provide limited insight into the receptor’s dynamic conformational landscape underlying function. Here, we engineered a thermostable water-soluble MOR variant (wsMOR) that retains native…
Aug, 2026
Journal
Sodium-ion batteries have attracted renewed interest in recent years and are widely studied as a complementary power source to Li-ion batteries for large-scale stationary energy storage and small electric vehicles. Compared with Li-ion batteries, Na-ion batteries offer several advantages, including elemental abundance, lower cost, improved safety, and better low-temperatur…
Aug, 2026
Journal
The increase in neutron flux at the Oak Ridge National Laboratory (ORNL) Spallation Neutron Source (SNS), currently operating at 2.0 MW proton beam power, has created new opportunities for higher-throughput neutron scattering experiments while also increasing the importance of minimizing background scattering and optimizing sample-environment operations. To address these c…
May, 2026
Journal
Lithium metal batteries (LMBs) promise step-changes in energy densities but suffer from poor cycle life due to unstable electrolyte-lithium interfaces. Conventional carbonate electrolytes exhibit excessive lithium-ion solvation and low oxidative stability, leading to rapid capacity loss. Herein, we report a rationally designed weakly-solvating cyclic sulfonamide, 1-trifluo…
Apr, 2026
Journal
Nanoconfined water exhibits unique properties compared to bulk water due to limited quantities, frustrated hydrogen bonding, and surface interactions, which are fundamental for energy storage and transport applications. We integrate machine learning–accelerated ab initio molecular dynamics with x-ray diffraction (XRD) and inelastic neutron scattering (INS) to systematicall…
Feb, 2026
Journal
Two-dimensional transition metal carbides and nitrides (MXenes) are an important family of electrochemically active 2D materials. MXenes combine high conductivity with hydrophilicity, making them attractive materials for many applications, including electrochemical energy storage, sensing, desalination, and others. In order to better understand the role of structure on MXe…
Jan, 2026
Journal
Segmental dynamics of polymer chains in a model nanocomposite of poly(ethylene oxide) and silica nanoparticles (NPs) was investigated using quasielastic neutron scattering. The dynamics can be accurately described with the Rouse model. The bulklike polymer far from the NP surface behaves as the neat polymer. However, the slower polymer in the interface close to the NP surf…
Oct, 2025
Journal
Electrodes and electrolytes in Li-ion batteries (LIBs) are crucial for their electrochemical performance, and fabricating these materials to achieve the desired properties for improved efficiency is challenging. A recent study published in Nature ( Nature 2024, 627, 101−107) outlined guidelines for designing an electrolyte using fluoroacetonitrile (FACN), a small-molecule…
Aug, 2025
Journal
Carbon black (CB) and silica (SiO2) filled elastomers are known to be the most successful polymer nanocomposites (PNCs) in industry, where “bound rubber (BR)” (i.e., polymer chains that are physically or chemically adsorbed on the nanofiller surface) plays a critical role in their reinforcement. Here, we report a molecular-scale mechanism underlying the “BR-induced reinfor…
Mar, 2025
Journal
Translation and rotation are the two most fundamental forms of diffusion, yet their coupling mechanism is not clear, especially under confinement. Here, we provided evidence of the coupling between rotation and translation using a substituted benzene molecule as an example. A counterintuitive behavior was observed where the movement of the smaller molecule with an asymmetr…
Mar, 2025
Journal
Melt reactive processing of lignin with nitrile rubber is a promising approach to synthesizing shape memory materials. The strong intramolecular interactions in lignin macromolecular structures, caused by π–π stacking in aromatic rings and hydrogen bonding, often result in large phase separation or low miscibility with rubbers. In this study, we investigated the chemical a…