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Cells Respond to Distinct Nanoparticle Properties with Multiple Strategies As Revealed by Single-Cell RNA-Seq
The impact of distinct nanoparticle (NP) properties on cellular response and ultimately human health is unclear. This gap is partially due to experimental difficulties in achieving uniform NP loads in the studied cells, creating heterogeneous populations with some cells “overloaded” while other cells are loaded with few or no NPs. Yet gene expression studies have been conducted in the population as a whole, identifying generic responses, while missing unique responses due to signal averaging across many cells, each carrying different loads. Here we applied single-cell RNA-Seq to alveolar epithelial cells carrying defined loads of aminated or carboxylated quantum dots (QDs), showing higher or lower toxicity, respectively. Interestingly, cells carrying lower loads responded with multiple strategies, mostly with upregulated processes, which were nonetheless coherent and unique to each QD type. In contrast, cells carrying higher loads responded more uniformly, with mostly downregulated processes that were shared across QD types. Strategies unique to aminated QDs showed strong upregulation of stress responses, coupled in some cases with regulation of cell cycle, protein synthesis and organelle activities. In contrast, strategies unique to carboxylated QDs showed upregulation of DNA repair and RNA activities, and decreased regulation of cell division, coupled in some cases with upregulation of stress responses and ATP related functions. Together, our studies suggest scenarios where higher NP loads lock cells into uniform responses, mostly shutdown of cellular processes, whereas lower loads allow for unique responses to each NP type that are more diversified, proactive defenses or repairs of the NP insults.
Hydration and Hydroxylation of MgO in Solution: NMR Identification of Proton-Containing Intermediate Phases
Not Available
Three‐Moment Representation of Rain in a Bulk Microphysics Model
Abstract A bulk three‐moment representation for rain microphysics is developed and implemented in the Predicted Particle Properties (P3) microphysics scheme. In addition, a new parameterization for rain self‐collection and collisional breakup (RSCB) is presented using a lookup table approach, based on the Spectral‐Bin Model (SBM). To quantify the impacts of sedimentation, evaporation, and RSCB on drop size distributions (DSDs), a rain shaft model is applied to a wide range of atmospheric scenarios (i.e., initial conditions and regimes) and compared against results from the SBM. DSD shapes are mainly determined by both sedimentation and evaporation, except in heavy rain where the impact of RSCB on DSD shape becomes more important than evaporation. The new parameterization for RSCB has a considerable impact on the mean drop size, improving the agreement between P3 and SBM. Only 4% of the original two‐moment rainshaft simulations have mean drop sizes and rain rates within ±20% of the SBM results, but this increases to more than 95% agreement when the three‐moment rain representation is used together with the new parameterization for RSCB. Generally, the improvement is more significant for heavy rain than for light drizzle. Remaining differences between bin and bulk model are attributable to treatments of evaporation, and the restriction to gamma DSDs in P3.
Hidden Magnetic States Emergent Under Electric Field, In A Room Temperature Composite Magnetoelectric Multiferroic
The ability to control a magnetic phase with an electric field is of great current interest for a variety of low power electronics in which the magnetic state is used either for information storage or logic operations. Over the past several years, there has been a considerable amount of research on pathways to control the direction of magnetization with an electric field. More recently, an alternative pathway involving the change of the magnetic state (ferromagnet to antiferromagnet) has been proposed. In this paper, we demonstrate electric field control of the Anomalous Hall Transport in a metamagnetic FeRh thin film, accompanying an antiferromagnet (AFM) to ferromagnet (FM) phase transition. This approach provides us with a pathway to “hide” or “reveal” a given ferromagnetic region at zero magnetic field. By converting the AFM phase into the FM phase, the stray field, and hence sensitivity to external fields, is decreased or eliminated. Using detailed structural analyses of FeRh films of varying crystalline quality and chemical order, we relate the direct nanoscale origins of this memory effect to site disorder as well as variations of the net magnetic anisotropy of FM nuclei. Our work opens pathways toward a new generation of antiferromagnetic – ferromagnetic interactions for spintronics.
The Effect of Natural Disasters and Extreme Weather on Household Location Choice and Economic Welfare
Natural disasters have increased in the United States in recent decades. At the same time, there has been a shift in population away from the states in the Northeast and Midwest to areas in the Sun Belt, many of which face increased risks from natural disasters. Spatial equilibrium theory predicts that households trade off risk for income in making location decisions. This study estimates a spatial equilibrium model of household location choice to understand these trade-offs. The results show that households require as much as 0.40% of annual household income to endure an additional disaster over the course of a decade. They also show that these values differ substantially depending on household skill level with higher-skill, higher-income households willing to pay three times more in annual income to avoid an additional natural disaster. Furthermore, these results have important implications for policymakers thinking about climate change adaptation and environmental justice.
NMR spin diffusion measurements in disordered polymers: Insights and limitations
Nuclear magnetic resonance (NMR) spin diffusion measurements have been widely used to estimate domain sizes in a variety of polymer materials. In cases where the domains are well-described as regular, repeating structures (e.g., lamellar, cylindrical channels, monodispersed spherical domains), the domain sizes estimated from NMR spin diffusion experiments agree with the characteristic length scales obtained from small-angle x-ray scattering and microscopy. In our laboratory, recent NMR spin diffusion experiments for hydrated sulfonated Diels Alder poly(phenylene) (SDAPP) polymer membranes have revealed that assuming a simple structural model can often misrepresent or overestimate the domain size in situations where more complex and disordered morphologies exist. Molecular dynamics simulations of the SDAPP membranes predict a complex heterogeneous hydrophilic domain structure that varies with the degree of sulfonation and hydration and is not readily represented by a simple repeating domain structure. This heterogeneous morphology results in NMR-measured domain sizes that disagree with length scales estimated from the ionomer peak in scattering experiments. Here we present numerical NMR spin diffusion simulations that show how structural disorder in the form of domain size distributions or domain clustering can significantly impact the spin diffusion analysis and estimated domain sizes. As a result, simulations of NMR spin diffusion with differing domain size distributions and domain clustering are used to identify the impact of the heterogeneous domain structure and highlight the limitations of using NMR spin diffusion techniques for irregular structures.
Machine Learning-Assisted Stability Boundary Determination of Multiport Autonomous Reconfigurable Solar Power Plants
The multiport autonomous reconfigurable solar (MARS) power plant is a promising solution to integrate renewable resources and energy storage systems into the alternating current (ac) power grid and an high-voltage direct current (HVdc) link. In the MARS system, various input power sources are connected to the individual submodules (SMs) through direct current (dc)–dc converters. However, the presence of external power sources can result in unbalanced capacitor voltages of SMs, thereby violating stability constraints under multiple/diverse operating conditions. This article aims to address the gap by accurately determining the stability boundary of the MARS system. As such, a novel machine learning (ML)-assisted energy balancing control (EBC) criterion is proposed. Further, in conjunction with a refined EBC, this approach ensures balanced capacitor voltages across various types of SMs, significantly enhancing the overall system efficiency. The proposed EBC criterion effectively controls EBC activation and deactivation, achieving remarkable accuracy. Both power systems computer aided design (PSCAD)/electromagnetic transients including direct current (EMTDC) simulations and control hardware-in-the-loop (cHIL) tests are conducted to validate the feasibility and efficiency of the proposed method. By combining the EBC and ML-assisted EBC criterion, efficient energy management is achieved for systems featuring multiple input power sources, such as MARS. This approach enables the system to fully exploit its potential across an expanded operational range while upholding high-efficiency standards.
NMR spectroscopy of coin cell batteries with metal casings
Battery cells with metal casings are commonly considered incompatible with nuclear magnetic resonance (NMR) spectroscopy because the oscillating radio-frequency magnetic fields (“rf fields”) responsible for excitation and detection of NMR active nuclei do not penetrate metals. Here, we show that rf fields can still efficiently penetrate nonmetallic layers of coin cells with metal casings provided “B 1 damming” configurations are avoided. With this understanding, we demonstrate noninvasive high-field in situ 7 Li and 19 F NMR of coin cells with metal casings using a traditional external NMR coil. This includes the first NMR measurements of an unmodified commercial off-the-shelf rechargeable battery in operando, from which we detect, resolve, and separate 7 Li NMR signals from elemental Li, anodic β-LiAl, and cathodic Li x MnO 2 compounds. Real-time changes of β-LiAl lithium diffusion rates and variable β-LiAl 7 Li NMR Knight shifts are observed and tied to electrochemically driven changes of the β-LiAl defect structure.
Integration of transcriptomic and proteomic data identifies biological functions in cell populations from human infant lung
Systems biology uses computational approaches to integrate diverse data types to understand cell and organ behavior. Data derived from complementary technologies, for example transcriptomic and proteomic analyses, are providing new insights into development and disease. We compared mRNA and protein profiles from purified endothelial, epithelial, immune, and mesenchymal cells from normal human lung tissue. Signatures for each cell type were identified and compared at both mRNA and protein levels. Cell specific biological processes and pathways were predicted by analysis of concordant and discordant RNA-protein pairs. Cell clustering and gene set enrichment comparisons identified shared versus unique processes associated with transcriptomic and/or proteomic data. Clear cell-cell correlations between mRNA and protein data were obtained from each cell type. Approximately 40% of RNA-protein pairs were coherently expressed. While the correlation between RNA and their protein products was relatively low (approximately 0.4), cell specific signature genes involved in functional processes characteristic of each cell type, were more highly correlated with their protein products. Consistency of cell specific RNA-protein signatures indicated an essential framework for the function of each cell type. Visualization and reutilization of the protein and RNA profiles are supported by a new web application, "LungProteomics," which is incorporated into the LGEA web portal and freely accessible at (https://research.cchmc.org/pbge/lunggens/lungProteomics/human_sorted_profiles.html).
NMR_DIFFSIM v. 1.0
The software generates and analyzes nuclear magnetic resonance spin diffusion simulations for the purpose of measuring domain sizes or spin diffusion constants in a heterogenous sample. Its primary capabilities are: 1. It solves the spin magnetization diffusion equation to simulate the results of a spin diffusion experiment using any structural input geometry, including structure models generated by molecular dynamics or other computational or experimental methods. 2. It compares the results of simulations on an input structure to experimental data, providing a data fitting algorithm to extract physical information from the experimental data via the simulation. 3. It can provide statistical measures to compare correlations between structural models, to determine domain clustering and connectedness, and to provide goodness-of-fit measures including chord length distributions, chi-squared values, Pearson coefficients and pair correlation functions. 4. It provides output reports, data files, and movies to visualize simulation results.
Understanding Morphology and Proton Transport in Sulfonated Poly(Phenylenes)
Cheap and efficient ion conducting separators are needed to improve efficiency and lifetime in fuel cells, batteries, and electrolyzers. Current state-of-the-art polymeric separators are made from Nafion, which is too expensive to be competitive with other technologies. Sandia has developed unique polymer separators that have lower cost and equivalent or superior ion transport compared to Nafion. These membranes consist of sulfonated Diels-Alder poly(phenylene) (SDAPP), a completely hydrocarbon polymer that conducts protons when hydrated. SDAPP membranes are thermally and chemically robust, with conductivities rivaling those of Nafion at high sulfonation levels. However, rational design of new separators requires molecular-level knowledge, currently unknown, of how polymer morphology affects transport. Here we describe the use of multiple computational and experimental techniques to understand the nanoscale morphology and water/proton transport properties in a series of sulfonated SDAPP membranes over a wide range of temperature, hydration, and sulfonation conditions.
Modification of BSCU Adapter Kugel Flex KPL For Quick Connect to MAS NMR Probes
To modify existing Bruker connectors for the BCU-II cooler system to allow use with older style MAS probes where the cooling gas is the bearing gas. The use of the BCU will allow lower temperature MAS experiments without the need to use N 2 liquid exchangers.
Aerial Crosspolarized NQR-NMR: Buried Explosive Detection From a Safe Distance
Nuclear quadrupole resonance is a non-destructive detection and inspection technique with potential as a non-destructive test (NDT) tool. Establishment of the capability opens the door to its use in furthering the mission of the labs. There are many possible uses of the capability: explosive detection and stress/strain detection in epoxies are two of the more obvious and are the main results of this work. Enhancement of the signal-to-noise ratio (SNR) and improvements in the acquisition time of the experiment were key focuses of this work. These were achieved by combing special spin-lock pulse sequences with cross-polarization (CP) schemes to improve the signals with shorter acquisition times. A novel rotating magnetic field device was created to facilitate CP in the field. Implementation of these schemes provided a significant reduction in SNR/time.
Computational and Experimental Characterization of Intermediate Amorphous Phases in Geological Materials
In the subsurface, MgO engineered barriers are employed at the Waste Isolation Pilot Plant (WIPP), a transuranic waste repository near Carlsbad, NM. During service, the MgO will be exposed to high concentration brine environments and may form stable intermediate phases that can alter the barriers effectiveness. Here, MgO was aged in water and three different brine solutions. X-ray diffraction (XRD) and 1 H nuclear magnetic resonance (NMR) analysis were performed to identify the formation of secondary phases. After aging, ~4% of the MgO was hydrated and fine-grained powders resulted in greater loss of crystallinity than hard granular grains. 1 H magic angle spinning (MAS) NMR spectra resolved minor phases not visible in XRD, indicating that diverse 1 H environments are present along with Mg(OH) 2 . Density functional theory (DFT) simulations for several proposed Mg-O-H, Mg-CI-O-H, and Na-O-H containing phases were performed to index peaks in the experimental 1 H MAS NMR spectra. While proposed intermediate crystal structures exhibited overlapping 1 H NMR peaks, Mg-O-H intermediates were attributed to the growth of the 1.0-0.0ppm peak while the Mg-CI-O-H structures contributed to the 2.5- 5.0ppm peak in the chloride containing brines. Overall, NMR analysis of aged MgO indicates the formation of a range of possible intermediate structures that cannot be resolved with XRD analysis alone.
Printed Wiring Assemblies (PWA) and Counterfeit Detection using Non-Destructive X-ray CT Analysis.
Abstract not provided.
A Markerless Method for Genome Engineering in Zymomonas mobilis ZM4
Metabolic engineering of the biofuel-producing Zymomonas mobilis is necessary if we are to unlock the metabolic potential present in this non-model microbe. Manipulation of such organisms can be challenging because of the limited genetic tools for iterative genome modification. Here, we have developed an efficient method for generating markerless genomic deletions or additions in Z. mobilis . This is a two-step process that involves homologous recombination of an engineered suicide plasmid bearing Z. mobilis targeting sequences and a subsequent recombination event that leads to loss of the suicide plasmid and a genome modification. A key feature of this strategy is that GFP expressed from the suicide plasmid allows easy identification of cells that have lost the plasmid by using a fluorescence activated cell sorter. Using this method, we demonstrated deletion of the gene encoding lactate dehydrogenase ( ldh ) and the operon for cellulose synthase ( bcsABC ). In addition, by modifying the plasmid design, we demonstrated targeted insertion of the crtIBE operon encoding a neurosporene biosynthetic pathway into the Z. mobilis genome without addition of any antibiotic resistance genes. We propose this approach will provide an efficient and flexible platform for improved genetic engineering of Z. mobilis .
Cascade Dielectrophoretic Separation for Selective Enrichment of Polyhydroxybutyrate (PHB)-Producing Cyanobacterium Synechocystis sp. PCC 6803
Maintaining favorable biological productivities in photosynthetic biomanufacturing systems, especially when the risk of contamination with competing microbes is high, remains a challenge to achieve while maintaining economic feasibility. This study presents a dielectrophoresis (DEP)-based microfluidic approach for isolating a desired strain within a co-culture. The cyanobacterium Synechocystis sp. PCC 6803 (a strain capable of producing the bioplastic precursor polyhydroxybutyrate, or PHB) was enriched from mixed cultures containing the competing cyanobacterium Synechococcus elongatus PCC 7942 (which does not naturally produce PHB). A DEP cascade electrode system was established to increase purification efficiency through sequential enrichment, which leveraged inherent differences in cell morphology and dielectric properties, to achieve the selective separation of these strains under physiological conditions. A substantial increase in the relative abundance of PHB-producing cells was assessed by optical microscopy and flow cytometry characterization, confirming more than five-fold reduction of the Synechococcus fraction in the refined cell mix. The presented electrokinetic platform offers a scalable and effective approach for selectively enhancing desired microbial components within microbial biomanufacturing systems, leading towards improved product yields.