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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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The objective of the study was to use the initial mean glandular dose (MGD) arising from the first screening mammogram to estimate the individual total screening lifetime effective risk.
Highlights: • A stable paste with perovskite precursor was produced out. • Screen printing was proposed to fabricate perovskite thin films. • The perovskite photodetectors with symmetric architectures show reasonable performance with high photocurrent and fast response. - Abstract: Organometal halide perovskites have demonstrated excellent features compared to conventional optoelectronic materials. To date, the perovskite films have generally been fabricated by either spin coating or vapor deposition. However, both methods cannot simultaneously meet large scale and low cost of production. Here, a simple, low-cost and high-throughput strategy was proposed to fabricate perovskite thin films, which were further applied in photodetectors. First, lead compound nanoparticles were synthesized by a solvent precipitation method, then a paste with the lead compound nanoparticles was screen printed to form PbO films involving calcination, and next the PbO films directly reacted with CH{sub 3}NH{sub 3}I solution to convert into CH{sub 3}NH{sub 3}PbI{sub 3} films. The CH{sub 3}NH{sub 3}PbI{sub 3} films consisted of micron crystals, whose sizes can be effectively controlled by adjusting CH{sub 3}NH{sub 3}I concentration. Furthermore, the CH{sub 3}NH{sub 3}PbI{sub 3} films were applied in photodetectors, which showed good performance with high sensitivity and fast response.
Only a few in vitro assays have been proposed to evaluate the steatotic potential of new drugs. The present study examines the utility of HepaRG cells as a cell-based assay system for screening drug-induced liver steatosis. A high-content screening assay was run to evaluate multiple toxicity-related cell parameters in HepaRG cells exposed to 28 compounds, including drugs reported to cause steatosis through different mechanisms and non-steatotic compounds. Lipid content was the most sensitive parameter for all the steatotic drugs, whereas no effects on lipid levels were produced by non-steatotic compounds. Apart from fat accumulation, increased ROS production and altered mitochondrial membrane potential were also found in the cells exposed to steatotic drugs, which indicates that all these cellular events contributed to drug-induced hepatotoxicity. These findings are of clinical relevance as most effects were observed at drug concentrations under 100-fold of the therapeutic peak plasmatic concentration. HepaRG cells showed increased lipid overaccumulation vs. HepG2 cells, which suggests greater sensitivity to drug-induced steatosis. An altered expression profile of transcription factors and the genes that code key proteins in lipid metabolism was also found in the cells exposed to drugs capable of inducing liver steatosis. Our results generally indicate the value of HepaRG cells for assessing the risk of liver damage associated with steatogenic compounds and for investigating the molecular mechanisms involved in drug-induced steatosis. - Highlights: • HepaRG cells were explored as an in vitro model to detect steatogenic potential. • Multiple toxicity-related endpoints were analysed by HCS. • HepaRG showed a greater sensitivity to drug-induced steatosis than HepG2 cells. • Changes in the expression of genes related to lipid metabolism were revealed. • HepaRG allow mechanistic understanding of liver damage induced by steatogenic drugs.
Here, this paper presents detailed characterization and analyses of the optical, electrical, and contact properties of a 35 nm phosphorus-doped (n-type) polysilicon (poly-Si) and a 250 nm boron-doped (p-type) poly-Si deposited respectively on textured and roughed surface. These layers could be applied respectively to the front and rear sides of an n-type Si to produce back junction bifacial screen-printed double-side tunnel oxide passivated contacts (DS-TOPCon) solar cells. Optical and device modeling revealed a short circuit current density loss of 1.5 mA/cm 2 and 0.5 mA/cm 2 due to absorption in the front n-TOPCon and rear side p-TOPCon layers, respectively. The passivation and contact properties including metalized and unmetallized recombination current density (J 0 ), as well as contact resistivity, were determined as a function of contact firing temperature in the range of 700~800°C. The passivation quality of the front thin n-TOPCon was found to deteriorate with increased firing temperature while the rear thick p-TOPCon improved. The study showed that the simulated contact firing at 730°C resulted in the best unmetallized double-side TOPCon precursor, with an excellent implied open-circuit voltage of 730 mV and implied fill factor of ~86 %. However, the metalized J0 increased and contact resistivity decreased monotonically with the increase in the firing temperature. The 2D device simulations revealed that these layers can produce screen-printed DS-TOPCon cells with an efficiency of ~22.5 %. Solar cell modeling also showed that the DS-TOPCon solar cell efficiency can reach 24.1 % by decreasing the n-TOPCon thickness to 20 nm and lowering the full area metalized J 0 to ~100 mA/cm 2 .
Poly(ethylene terephthalate) (PET) hydrolases, which depolymerize PET to its monomers, have gained attention for their potential to facilitate bio-industrial recycling of this waste plastic. Here, we present a protocol for screening large, random mutagenesis enzyme libraries simultaneously for enhanced activity, solubility, and stability. We outline steps for library construction, screening using plate-based split GFP and model substrate assays, and determination of enzyme thermostability. We then detail procedures for validation assays on PET substrates and characterization of final variants.
Isopentenol (or isoprenol, 3-methyl-3-buten-1-ol) is a drop-in biofuel and a precursor for commodity chemicals such as isoprene. Biological production of isopentenol via the mevalonate pathway has been optimized extensively in Escherichia coli , yielding 70% of its theoretical maximum. However, high ATP requirements and isopentenyl diphosphate (IPP) toxicity pose immediate challenges for engineering bacterial strains to overproduce commodities utilizing IPP as an intermediate. To overcome these limitations, we developed an “IPP-bypass” isopentenol pathway using the promiscuous activity of a mevalonate diphosphate decarboxylase (PMD) and demonstrated improved performance under aeration-limited conditions. However, relatively low activity of PMD toward the non-native substrate (mevalonate monophosphate, MVAP) was shown to limit flux through this new pathway. By inhibiting all IPP production from the endogenous non-mevalonate pathway, we developed a high-throughput screening platform that correlated promiscuous PMD activity toward MVAP with cellular growth. Successful identification of mutants that altered PMD activity demonstrated the sensitivity and specificity of the screening platform. Strains with evolved PMD mutants and the novel IPP-bypass pathway increased titers up to 2.4-fold. Further enzymatic characterization of the evolved PMD variants suggested that higher isopentenol titers could be achieved either by altering residues directly interacting with substrate and cofactor or by altering residues on nearby α-helices. These altered residues could facilitate the production of isopentenol by tuning either k cat or K i of PMD for the non-native substrate. The synergistic modification made on PMD for the IPP-bypass mevalonate pathway is expected to significantly facilitate the industrial scale production of isopentenol.
The valorization of lignocellulose-derived bioproducts requires effective separation from excessive water. Liquid–liquid extraction is a promising low-energy separation technology, but effective extraction requires solvent selection based on the thermodynamic properties of the bioproduct and solvent components. We propose a computational framework for predicting such properties by developing an adaptive conformer selection approach for use with COSMO-RS (conductor-like screening model for real solvents) calculations. In this framework, molecular dynamics simulations are used to generate many molecular structures (conformers) at representative temperatures in varying solvent environments. Conformers are then clustered based on structural metrics in a low-dimensional space and selected using a mixed-integer quadratic programming problem to iteratively insert a sampled conformer. At each iteration, we determine bioproduct properties using COSMO-RS. Here, we demonstrate the capability of the proposed framework on representative bioproducts to show convergence of the adaptive sampling toward experimentally measured properties with fewer calculations than required by random conformer sampling, enabling the improved screening of solvent systems for liquid-phase separation.
Machine learning (ML), when used synergistically with atomistic simulations, has recently emerged as a powerful tool for accelerated catalyst discovery. However, the application of these techniques has been limited by the lack of interpretable and transferable ML models. In this work, we propose a curriculum-based training (CBT) philosophy to systematically develop reactive machine learning potentials (rMLPs) for high-throughput screening of zeolite catalysts. Our CBT approach combines several different types of calculations to gradually teach the ML model about the relevant regions of the reactive potential energy surface. The resulting rMLPs are accurate, transferable, and interpretable. We further demonstrate the effectiveness of this approach by exhaustively screening thousands of [CuOCu] 2+ sites across hundreds of Cu-zeolites for the industrially relevant methane activation reaction. Specifically, this large-scale analysis of the entire International Zeolite Association (IZA) database identifies a set of previously unexplored zeolites (i.e., MEI, ATN, EWO, and CAS) that show the highest ensemble-averaged rates for [CuOCu] 2+ -catalyzed methane activation. We believe that this CBT philosophy can be generally applied to other zeolite-catalyzed reactions and, subsequently, to other types of heterogeneous catalysts. Thus, this represents an important step toward overcoming the long-standing barriers within the computational heterogeneous catalysis community.
Automation accelerates the Design-Build-Test-Learn (DBTL) cycle for synthetic biology; however, most strain construction pipelines lack robotic integration. Here, in this study, we present the workflow design and source code for a modular, integrated protocol that automates the Build step in Saccharomyces cerevisiae. We programmed the Hamilton Microlab VANTAGE to integrate off-deck hardware via its central robotic arm, enabling automated steps that increased throughput to 2,000 transformations per week. We developed a user interface with the Hamilton VENUS software to support on-demand parameter customization. As a proof of concept, we screened a gene library in an engineered yeast strain producing verazine, a key intermediate in the biosynthesis of steroidal alkaloids. Our pipeline rapidly identified pathway bottlenecks and genes that enhanced verazine production by 2.0- to 5-fold. This technical note provides resources for synthetic biologists designing yeast workflows for biofoundries to screen libraries for pathway discovery/optimization, combinatorial biosynthesis, and protein engineering.
Single-strand RNA (ssRNA) Fiersviridae phages cause host lysis with a product of single gene (sgl for single-gene lysis; product Sgl) that induces autolysis. Many different Sgls have been discovered, but the molecular targets of only a few have been identified. In this study, we used a high-throughput genetic screen to uncover genome-wide host suppressors of diverse Sgls. In addition to validating known molecular mechanisms, we discovered that the Sgl of PP7, an ssRNA phage of Pseudomonas aeruginosa, targets MurJ, the flippase responsible for lipid II export, previously shown to be the target of the Sgl of coliphage M. These two Sgls, which are unrelated and predicted to have opposite membrane topology, thus represent a case of convergent evolution. We extended the genetic screens to other uncharacterized Sgls and uncovered a common set of multicopy suppressors, suggesting that these Sgls act by the same or similar mechanism.
Abstract Drug discovery relies on efficient identification of small-molecule leads and their interactions with macromolecular targets. However, understanding how chemotypes impact mechanistically important conformational states often remains secondary among high-throughput discovery methods. Here, we present a conformational discovery pipeline integrating time-resolved, high-throughput small-angle X-ray scattering (TR-HT-SAXS) and classic fragment screening applied to allosteric states of the mitochondrial import oxidoreductase apoptosis-inducing factor (AIF). By monitoring oxidized and X-ray-reduced AIF states, TR-HT-SAXS leverages structure and kinetics to generate a multidimensional screening dataset that identifies fragment chemotypes allosterically stimulating AIF dimerization. Fragment-induced dimerization rates, quantified with time-resolved SAXS similarity analysis ( k VR ), capture structure–activity relationships (SAR) across the top-ranked 4-aminoquinoline chemotype. Crystallized AIF–aminoquinoline complexes validate TR-SAXS-guided SAR, supporting this conformational chemotype for optimization. AIF–aminoquinoline structures and mutational analysis reveal active site F482 as an underappreciated allosteric stabilizer of AIF dimerization. This conformational discovery pipeline illustrates TR-HT-SAXS as an effective technology for targeting chemical leads to important macromolecular states.
Earlier detection of breast cancer reduces mortality from this disease. Thus, the development of better screening techniques is a topic of intense interest. Contrast-enhanced dual-energy mammography (DEM) is a novel technique that has improved sensitivity for cancer detection. However, the development of contrast agents for this technique is in its infancy. We herein report gold-silver alloy nanoparticles (GSAN) that have potent DEM contrast properties and improved biocompatibility. GSAN formulations containing a range of gold:silver ratios and capped with m-PEG were synthesized and characterized using various analytical methods. DEM and computed tomography (CT) phantom imaging showed that GSAN produced robust contrast that was comparable to silver alone. Cell viability, reactive oxygen species generation and DNA damage results revealed that the formulations with 30% or higher gold content are cytocompatible to Hep G2 and J774A.1 cells. In vivo imaging was performed in mice with and without breast tumors. The results showed that GSAN produce strong DEM and CT contrast and accumulated in tumors. Furthermore, both in vivo imaging and ex vivo analysis indicated the excretion of GSAN via both urine and feces. In summary, GSAN produce strong DEM and CT contrast, and has potential for both blood pool imaging and for breast cancer screening.
The question of electromagnetic wave penetration and screening by a bounded supercritical ({omega}{sub p}>{omega} with {omega}{sub p} and {omega} being the electron-plasma and wave frequencies, respectively) plasma confined in a minimum B multicusp field, for waves launched in the k perpendicular B{sub o} mode, is addressed through experiments and numerical simulations. The scale length of radial plasma nonuniformity (|n{sub e}/({partial_derivative}n{sub e}/{partial_derivative}r)|) and magnetostatic field (B{sub o}) inhomogeneity (|B{sub o}/({partial_derivative}B{sub o}/{partial_derivative}r)|) are much smaller than the free space ({lambda}{sub o}) and guided wavelengths ({lambda}{sub g}). Contrary to predictions of plane wave dispersion theory and the Clemow-Mullaly-Allis (CMA) diagram, for a bounded plasma a finite propagation occurs through the central plasma regions where {alpha}{sub p}{sup 2}={omega}{sub p}{sup 2}/{omega}{sup 2}{>=}1 and {beta}{sub c}{sup 2}={omega}{sub ce}{sup 2}/{omega}{sup 2}<<1({approx}10{sup -4}), with {omega}{sub ce} being the electron cyclotron frequency. Wave screening, as predicted by the plane wave model, does not remain valid due to phase mixing and superposition of reflected waves from the conducting boundary, leading to the formation of electromagnetic standing wave modes. The waves are found to satisfy a modified upper hybrid resonance (UHR) relation in the minimum B field and are damped at the local electron cyclotron resonance (ECR) location.
The laser wakefield acceleration electron beams can essentially deviate from the axis of the system, which distinguishes them greatly from beams of conventional accelerators. In case of energy measurements by means of a permanent-magnet electron spectrometer, the deviation angle can affect accuracy, especially for high energies. A two-screen single-shot electron spectrometer that correctly allows for variations of the angle of entry is considered. The spectrometer design enables enhancing accuracy of measuring narrow electron beams significantly as compared to a one-screen spectrometer with analogous magnetic field, size, and angular acceptance.
This article gives the absolute calibration of two types phosphor screens (DRZ) that were used to detect and characterize electron bunches driven by laser-plasma accelerator. The test was performed with picoseconds electron bunch at a radio frequency linear electron accelerator in Tsinghua University. The photons emitted from DRZ screens showed good linear responses to the charge of incident electron bunch and cosine angular distribution in space. An energy conversional efficiency of effective scintillant matter was also calculated.
SuperNEMO is a double beta decay experiment that will use a tracko-calorimeter technique. The goal is to reach a sensitivity of T{sub 1/2}(0ν)>10{sup 26} y corresponding to an effective Majorana neutrino mass of 0.04-0.11 eV with 100 kg of {sup 82}Se. The general strategy of the HPGe screening measurements is described for the materials of the SuperNEMO demonstrator, regarding their radiopurity and their location. The two platforms, PRISNA and LSM, used for this screening are also briefly described.
InGaN/GaN light-emitting diodes (LEDs) grown along the polar orientations significantly suffer from the quantum confined Stark effect (QCSE) caused by the strong polarization induced electric field in the quantum wells, which is a fundamental problem intrinsic to the III-nitrides. Here, we show that the QCSE is self-screened by the polarization induced bulk charges enabled by designing quantum barriers. The InN composition of the InGaN quantum barrier graded along the growth orientation opportunely generates the polarization induced bulk charges in the quantum barrier, which well compensate the polarization induced interface charges, thus avoiding the electric field in the quantum wells. Consequently, the optical output power and the external quantum efficiency are substantially improved for the LEDs. The ability to self-screen the QCSE using polarization induced bulk charges opens up new possibilities for device engineering of III-nitrides not only in LEDs but also in other optoelectronic devices.
Transparent electrodes were formed on Eu-doped GaN-based red-light-emitting diode (GaN:Eu LED) substrates by the screen printing of indium tin oxide nanoparticle (ITO np) inks as a wet process. The ITO nps with a mean diameter of 25 nm were synthesized by the controlled thermolysis of a mixture of indium complexes and tin complexes. After the direct screen printing of ITO np inks on GaN:Eu LED substrates and sintering at 850 °C for 10 min under atmospheric conditions, the resistivity of the ITO film was 5.2 mΩ cm. The fabricated LED up to 3 mm square surface emitted red light when the on-voltage was exceeded.