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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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A galactose-based auto-expression system improves T7-inducible protein production in Escherichia coli
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Direct, multielement determinations from cotton swipes via plate express microextraction coupled to an inductively coupled plasma mass spectrometer (μEx-ICP-MS)
Use of a microextraction device allows for ready sampling of solid substrates, such as cotton swipes, allowing transfer of sub-microgram quantities for multielement ICP-MS analysis.
Stereochemical expression of Bi 6s 2 lone pairs mediates fluoride-ion (De)insertion in tunnel-structured Bi 2 PdO 4 and Bi 1.6 Pb 0.4 PtO 4
An energy storage concept using anions as charge carriers is explored based on solution-phase fluoride-ion insertion in periodic solids. Redox reactions are mediated by d-block centers, whereas Bi 3+ lone pairs enable reversible F-ion diffusion.
Application-specific machine-learned interatomic potentials: exploring the trade-off between DFT convergence, MLIP expressivity, and computational cost
Machine-learned interatomic potentials (MLIPs) are revolutionizing computational materials science and chemistry by offering an efficient alternative to ab initio molecular dynamics (MD) simulations. However, fitting high-quality MLIPs remains a challenging, time-consuming, and computationally intensive task where numerous trade-offs have to be considered, e.g., How much and what kind of atomic configurations should be included in the training set? Which level of ab initio convergence should be used to generate the training set? Which loss function should be used for fitting the MLIP? Which machine learning architecture should be used to train the MLIP? The answers to these questions significantly impact both the computational cost of MLIP training and the accuracy and computational cost of subsequent MLIP MD simulations. In this study, we use a configurationally diverse beryllium dataset and quadratic spectral neighbor analysis potential. We demonstrate that joint optimization of energy versus force weights, training set selection strategies, and convergence settings of the ab initio reference simulations, as well as model complexity can lead to a significant reduction in the overall computational cost associated with training and evaluating MLIPs. This opens the door to computationally efficient generation of high-quality MLIPs for a range of applications which demand different accuracy versus training and evaluation cost trade-offs.
CD20 expression regulates CD37 levels in B-cell lymphoma – implications for immunotherapies
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Compact perturbative expressions for oscillations with sterile neutrinos in matter
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Connecting Ansatz Expressibility to Gradient Magnitudes and Barren Plateaus
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Rv0100, a proposed acyl carrier protein in Mycobacterium tuberculosis: expression, purification and crystallization
Abstract not provided
Rv0100, a proposed acyl carrier protein in Mycobacterium tuberculosis: expression, purification and crystallization. Corrigendum
The true identity of the protein found in the crystals reported by Bondoc et al. [(2019), Acta Cryst. F75, 646–651] is given.
Understanding SYCL Portability for Pseudorandom Number Generation: a Case Study with Gene-Expression Connectivity Mapping
Towards the goal of improving functional and performance portability of SYCL, we study a bioinformatics application that has been accelerated with CUDA and fast pseudorandom number generation on a GPU. We describe the experience of migrating pseudorandom number generation from CUDA to SYCL, evaluate the performance of pseudorandom number generators using the CUDA random number generation library, suggest the support of the XORWOW pseudorandom number generator in the oneAPI math kernel library (oneMKL) interface for performance portability, and identify the performance gap using the MKL interface in SYCL that supports pseudorandom number generation with third-party libraries. We hope that the results are valuable for the development of the SYCL ecosystem.
Predicting Expressibility of Parameterized Quantum Circuits using Graph Neural Network
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Design and Implementation of the Illinois Express Quantum Metropolitan Area Network
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A role for differential Rubisco activase isoform expression in C 4 bioenergy grasses at high temperature
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Astragaloside IV improved antioxidative stress capacity and related gene expression of the Keap1‐Nrf2 pathway in grass carp ( Ctenopharyngodon idella ) hepatocytes under heat stress
Abstract This study aims to investigate the protective effects of astragaloside IV (AS‐IV) on the hepatocytes of grass carp ( Ctenopharyngodon idella ) on heat stress. Cultured cells were treated with AS‐IV (0, 50, 100 and 200 μg/ml) at 28°C for 24 h and then exposed to heat stress by increasing the culturing temperature (32 ± 0.5°C) for 6 h. The increased temperatures significantly reduced cell viability and superoxide dismutase (SOD) activity, and increased malondialdehyde (MDA) levels in the 0 μg/ml AS‐IV treatment group at 32°C, but the grass carp hepatocytes treated with 100 and 200 μg/ml AS‐IV had significantly increased cell viability and SOD activity and decreased MDA levels. The mRNA levels of keap1a , keap1b , nrf2 , gsh‐px , cat , cu‐zn sod , mgst1 and il‐6 were significantly lower in the 0 μg/ml AS‐IV treatment group at 32°C, while those of keap1a , nrf2 , gsh‐px , cat , cu‐zn sod , gstp1 , ho‐1 and il‐6 were significantly higher in cells treated with 100 or 200 μg/ml AS‐IV. Our findings indicate that AS‐IV could enhance the antioxidative stress capacity of grass carp hepatocytes under heat stress, and its mechanism may be associated with the activation of the Keap1‐Nrf2 pathway. Thus, these results provide new insights into how to alleviate heat stress in grass carp.
Successional adaptive strategies revealed by correlating arbuscular mycorrhizal fungal abundance with host plant gene expression
The shifts in adaptive strategies revealed by ecological succession and the mechanisms that facilitate these shifts are fundamental to ecology. These adaptive strategies could be particularly important in communities of arbuscular mycorrhizal fungi (AMF) mutualistic with sorghum, where strong AMF succession replaces initially ruderal species with competitive ones and where the strongest plant response to drought is to manage these AMF. Although most studies of agriculturally important fungi focus on parasites, the mutualistic symbionts, AMF, constitute a research system of human-associated fungi whose relative simplicity and synchrony are conducive to experimental ecology. First, we hypothesize that, when irrigation is stopped to mimic drought, competitive AMF species should be replaced by AMF species tolerant to drought stress. We then, for the first time, correlate AMF abundance and host plant transcription to test two novel hypotheses about the mechanisms behind the shift from ruderal to competitive AMF. Surprisingly, despite imposing drought stress, we found no stress-tolerant AMF, probably due to our agricultural system having been irrigated for nearly six decades. Remarkably, we found strong and differential correlation between the successional shift from ruderal to competitive AMF and sorghum genes whose products (i) produce and release strigolactone signals, (ii) perceive mycorrhizal-lipochitinoligosaccharide (Myc-LCO) signals, (iii) provide plant lipid and sugar to AMF, and (iv) import minerals and water provided by AMF. These novel insights frame new hypotheses about AMF adaptive evolution and suggest a rationale for selecting AMF to reduce inputs and maximize yields in commercial agriculture.