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A clear experimental signature of the population of the lowest triplet state ${}^{3}T_1$of the methane dication is identified in a photoionization experiment. This state is populated only in valence ionization and is absent when the dication is formed by core ionization followed by Auger-Meitner decay. For valence ionization, the total internal energy of the ${\mathrm{CH}}_3^{+}$fragment, formed during the deprotonation of ${\mathrm{CH}}_4{}^{2+}$, is evaluated. Notably, the distribution of this internal energy peaks at the same value regardless of the initially populated electronic state of ${\mathrm{CH}}_4{}^{2+}$. We find that excited electronic states of ${\mathrm{CH}}_3^{+}$are predominantly populated with significant rovibrational excitation. Published by the American Physical Society2025 

The ionic structure of high-pressure, high-temperature fluids is a challenging theoretical problem with applications to planetary interiors and fusion capsules. Here we report a multimessenger platform using velocimetry and angularly and spectrally resolved x-ray scattering to measure the thermodynamic conditions and ion structure factor of materials at extreme pressures. We document the pressure, density, and temperature of shocked silicon near $100\mathrm{GPa}$with uncertainties of 6%, 2%, and 20%, respectively. The measurements are sufficient to distinguish between and rule out some ion screening models. Published by the American Physical Society2024 

Rhodopseudomonas palustris CGA009 (R. palustris) is a gram negative purple non-sulfur bacteria that grows phototrophically or chemotrophically by fixing or catabolizing a wide array of substrates including lignin breakdown products (e.g., p-coumarate) for its carbon and nitrogen requirements. It can grow aerobically or anaerobically and can use light, inorganic, and organic compounds for energy production. Due to its ability to convert different carbon sources into useful products in anaerobic mode, this study, for the first time, reconstructed a metabolic and expression (ME-) model of R. palustris to investigate its anaerobic-photoheterotrophic growth. Unlike metabolic (M-) models, ME-models include transcription and translation reactions along with macromolecules synthesis and couple these reactions with growth rate. This unique feature of the ME-model led to nonlinear growth curve predictions which matched closely with experimental growth rate data. At the theoretical maximum growth rate, the ME-model suggested a diminishing rate of carbon fixation and predicted malate dehydrogenase and glycerol-3 phosphate dehydrogenase as alternate electron sinks. Moreover, the ME-model also identified ferredoxin as a key regulator in distributing electrons between major redox balancing pathways. Since ME-models include turnover rate for each metabolic reaction, it was used to successfully capture experimentally observed temperature regulation of different nitrogenases. Overall, these unique features of the ME-model demonstrated the influence of nitrogenases and rubiscos on R. palustris growth and predicted a key regulator in distributing electrons between major redox balancing pathways, thus establishing a platform for in silico investigation of R. palustris metabolism from a multi-omics perspective. 

There is a growing research interest to extract the temporal dependency between brain networks. Among several existing methods, functional network connectivity (FNC) is one of the widely used approaches to capture the intrinsic functional relationships among brain networks. In this study, we introduced a novel approach that uses FNC matrices of Adolescent Brain and Cognitive Development (ABCD) data to evaluate multiple overlapping brain functional change patterns (FCPs). Results show several highly structured FCPs that have a significant change over a two-year period and become stronger with age including brain functional connectivity between visual (VS) and sensorimotor (SM) domains. Our approach is a powerful tool to visualize and evaluate patterns of whole brain functional changes in longitudinal data. 

Crystalline zinc blende GaAs has been grown on a trigonal c-plane sapphire substrate by molecular beam epitaxy. The initial stage of GaAs thin film growth has been investigated extensively in this paper. When grown on c-plane sapphire, it takes (111) crystal orientation with twinning as a major problem. Direct growth of GaAs on sapphire results in three-dimensional GaAs islands, almost 50% twin volume, and a weak in-plane correlation with the substrate. Introducing a thin AlAs nucleation layer results in complete wetting of the substrate, better in-plane correlation with the substrate, and reduced twinning to 16%. Further, we investigated the effect of growth temperature, pregrowth sapphire substrate surface treatment, and in-situ annealing on the quality of the GaAs epilayer. We have been able to reduce the twin volume below 2% and an X-ray diffraction rocking curve line width to 223 arcsec. A good quality GaAs on sapphire can result in the implementation of microwave photonic functionality on a photonic chip.