Targeting the TS dimer interface in bifunctional Cryptosporidium hominis TS-DHFR from parasitic protozoa: Virtual screening identifies novel TS allosteric inhibitors
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The escalating integration of inverter-based resources (IBRs) poses new challenges to power systems by introducing fast dynamics with higher frequencies, which may need to be simulated by an electromagnetic transient (EMT) program. As an alternative to conducting EMT simulations for the entire system, which is typically time consuming, hybrid simulation between EMT and phasor-domain transient stability (TS) can greatly reduce the computational burden while preserving the detailed fast dynamics in the EMT zone. This paper establishes an EMT-TS hybrid simulation platform using open-source tools, specifically ParaEMT, GridPACK, and HELICS, which are the EMT simulator, TS simulator, and interface framework, respectively. Case studies on the 240-bus Western Electricity Coordinating Council (WECC) system demonstrate that the developed ParaEMT-HELICS-GridPACK hybrid simulator can accurately capture both slow electromechanical and fast IBR-driven dynamics with a 2.4x speedup.
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In a prior work the authors proposed a variant on the Impedance Matched Multi-Axis Test (IMMAT) in which a fixture is defined, called the Transmission Simulator (TS), and the desired environment is matched at a set of sensors on the TS. If the motion of the TS is matched then the response of the rest of the component will also match, provided that the attached component has the same dynamics as it did when the environment was measured. Hence, one would like the TS to be flexible so that it reproduces the boundary conditions that the component of interest experiences during flight, but the more flexible the TS, the more shakers might be needed to control its response. This work presents a derivation that gives expressions for these two potential error sources in TS-IMMAT. Then, various case studies are presented, both on simulated and real hardware, to understand the importance of each error term in practical testing. The theory explains the phenomena that were observed when using measurements from a component that flew on a sounding rocket. The environmental response was measured and then various fixtures were attached, each comprising more of the next assembly, or the hardware to which the component was attached in flight. MIMO testing was repeated with each fixture and the results were compared to seek to understand the role of the impedance match in this type of testing. Here the results show that the number of modes that are active in the transmission simulator is also very important, and so the best solution balances these two considerations. An improved method of simulating the MIMO test is then proposed, so simulations can be used to predict what fixture, or transmission simulator, will give the best results in a TS-IMMAT test.
This paper presents the development and benchmarking of a novel real-time electromagnetic-transient and transient-stability (EMT-TS) modeling architecture for distribution feeder restoration studies. The work presents for the first time in the literature a real-time EMT-TS testbed in which the grid-forming unit is simulated in EMT domain, operating as the slack bus of the phasor domain while including unbalanced voltage conditions. To evaluate the performance and limitations of the proposed model, an equivalent EMT testbed is developed to serve as a benchmark. First, the co-simulation framework and the domain coupling methodology are introduced. Next, the steady state operation of the EMT-TS and EMT models are matched. Then, tests are conducted to analyze the transient performance of the proposed EMT-TS model when compared to its EMT benchmark. Results reveal that when utilizing a battery energy storage system (BESS) as the grid-forming unit, the EMT-TS testbed can maintain high accuracy for typical load steps.
CRU TS (Climatic Research Unit gridded Time Series) is a widely used climate dataset on a 0.5° latitude by 0.5° longitude grid over all land domains of the world except Antarctica. It is derived by the interpolation of monthly climate anomalies from extensive networks of weather station observations. Here we describe the construction of a major new version, CRU TS v4. It is updated to span 1901–2018 by the inclusion of additional station observations, and it will be updated annually. The interpolation process has been changed to use angular-distance weighting (ADW), and the production of secondary variables has been revised to better suit this approach. This implementation of ADW provides improved traceability between each gridded value and the input observations, and allows more informative diagnostics that dataset users can utilise to assess how dataset quality might vary geographically.
The selective oxidation of n-C 8 H 18 , n-C 12 H 26 , n-C 16 H 34 , n-C 20 H 42 , and n-C 36 H 74 was studied with a goal of using these as models to provide insight into how to functionalize polyolefins. Reactions were carried out using a TS-1 catalyst and H 2 O 2 in a batch reactor with different cosolvents, including methanol, acetone, acetonitrile, methyl ethyl ketone, and methyl butyl ketone. Rates decreased with increasing alkane size, possibly due to the reduced solubility of larger alkanes into the water-rich phases. Cosolvents that promote the partitioning of alkanes in the aqueous phase increased the rates. 1 H NMR spectroscopy demonstrated that ketones were the primary products, although some alcohols also formed. There was preferential reaction at the 2 position in the alkanes, but reaction at central carbons was also observed. The results of this study suggest strategies for using this catalytic chemistry to functionalize polyolefins.
When photovoltaic (PV) modules are installed on rooftops, the module temperature depends primarily on the geographic location and the mounting configuration. If the mounting structure does not provide sufficient airflow in a hot environment, the 98th percentile temperature will exceed 70°C, which according to IEC TS 63126 ED. 1, requires higher levels of thermal stability testing. However, there is no clear way to determine the temperature level needed for a particular location and system design. Here, in this work, we identify a relationship between the module standoff to the rooftop and the module temperature and propose methods to describe a minimum standoff for typical PV modules in a simple mounting configuration installed in a given location. For more complex system designs, we show how to determine an equivalent “effective standoff” that can be applied to generic calculations. Lastly, we show measurements and calculations from several systems to demonstrate how this method could work.
Modular multilevel converters (MMCs) are widely used in the design of modern high-voltage direct current (HVdc) transmission system. High-fidelity dynamic models of MMCs-based HVdc system require small simulation time step and can be accurately modeled in electro-magnetic transient (EMT) simulation programs. The EMT program exhibits slow simulation speed and limitation on the size of the model and brings certain challenges to test the high-fidelity HVdc model in system-level simulations. This paper presents the design and implementation of a hybrid simulation framework, which enables the co-simulation of the EMT model of Atlanta-Orlando HVdc line and the transient stability (TS) model of the entire Eastern Interconnection system. This paper also introduces the implementation of two high-fidelity HVdc line models simulated at different time steps and discusses a dedicated method for sizing the buffer areas on both sides of the HVdc line. The simulation results of the two HVdc models with different sizes of buffer areas are presented and compared.
When photovoltaic modules are installed on rooftops the temperature is dependent on both the geographic location and the mounting configuration. If the mounting structure does not provide sufficient air flow in a hot environment, the 98th percential temperature will exceed 70 degrees C which according to IEC TS 63126 requires higher levels of thermal stability testing. However, a simple there is not a clear way to determe which temperature level is needed for a particular location and system design. In this work we identify a relationship between the gap between the rooftop and a module and propose methods to describe minimum gaps for a given location. Because system designs vary in more ways than just the gap, we show how to determine an effective gap which can be simply applied to generic calculations. Lastly, we show measurements and calculations from several systems to demonstrate how this method could work.
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For over a century, ecologists have used the concept of trophic state (TS) to characterize an aquatic ecosystem's biological productivity. However, multiple TS classification schemes, each relying on a variety of measurable parameters as proxies for productivity, have emerged to meet use‐specific needs. Frequently, chlorophyll a, phosphorus, and Secchi depth are used to classify TS based on autotrophic production, whereas phosphorus, dissolved organic carbon, and true color are used to classify TS based on both autotrophic and heterotrophic production. Both classification approaches aim to characterize an ecosystem's function broadly, but with varying degrees of autotrophic and heterotrophic processes considered in those characterizations. Moreover, differing classification schemes can create inconsistent interpretations of ecosystem integrity. For example, the US Clean Water Act focuses exclusively on algal threats to water quality, framed in terms of eutrophication in response to nutrient loading. This usage lacks information about non‐algal threats to water quality, such as dystrophication in response to dissolved organic carbon loading. Consequently, the TS classification schemes used to identify eutrophication and dystrophication may refer to ecosystems similarly (e.g., oligotrophic and eutrophic), yet these categories are derived from different proxies. These inconsistencies in TS classification schemes may be compounded when interdisciplinary projects employ varied TS frameworks. Even with these shortcomings, TS can still be used to distill information on complex aquatic ecosystem function into a set of generalizable expectations. The usefulness of distilling complex information into a TS index is substantial such that usage inconsistencies should be explicitly addressed and resolved. To emphasize the consequences of diverging TS classification schemes, we present three case studies for which an improved understanding of the TS concept advances freshwater research, management efforts, and interdisciplinary collaboration. To increase clarity in TS, the aquatic sciences could benefit from including information about the proxy variables, ecosystem type, as well as the spatiotemporal domains used to classify TS. As the field of aquatic sciences expands and climatic irregularity increases, we highlight the importance of re‐evaluating fundamental concepts, such as TS, to ensure their compatibility with evolving science.
An Advanced Research Projects Agency-Energy funded diagnostic system has been deployed to the Princeton field-reversed configuration 2 (PFRC-2) device, located at Princeton Plasma Physics Laboratory. The Portable Diagnostic Package (PDP), designed at Oak Ridge National Laboratory, allows for the measurement of Thomson Scattering (TS) for electron density and temperature and Optical Emission Spectroscopy (OES) for ion temperature, impurity density, and ion velocity. A tunable spectrometer on the PDP with three gratings provides the flexibility to measure low (1 eV) and high (1000 eV) electron temperature ranges from TS. Additionally, using a second spectrometer, the OES diagnostic can survey light emission from various ion excitation levels for wide wavelength ranges. The electron density (<2 × 10 19 m –3 ) of plasmas generated in PFRC-2 has been below the PDP TS discrimination threshold, which has made TS signal detection challenging against a high-background of laser stray light. The laser stray light was iteratively reduced by making modifications to the entrance and exit geometry on PFRC-2. Rayleigh scattering experiments on PFRC have yielded the TS discrimination sensitivity to be >1 × 10 20 m –3 for the PDP. A recently implemented narrow-band notch spectral filter that masks the second harmonic 532 nm Nd:YAG laser wavelength has increased the system’s TS light discrimination sensitivity 65 times compared to the instance when the notch filter was not implemented. The hardware implementation including design changes to the flight tubes and Brewster windows will be discussed, along with results from Rayleigh and rotational Raman scattering sensitivity analyses, which were used to establish a quantitative figure of merit on the system performance. Further, the Raman scattering calibration with the notch filter has improved the PDP electron density threshold to 1 ± 0.5 × 10 18 m –3 .
We describe the upgrades to the Thomson scattering (TS) diagnostic on the Lithium Tokamak eXperiment-beta (LTX- β ) to provide complete radial coverage of the plasma. LTX- β is a spherical tokamak with plasma limited at a major radius of R = 14 cm and R = 66 cm. Flat temperature profiles with peaked density were observed in LTX- β using an existing multipoint TS diagnostic with radial coverage of the plasma core. There is a need for more comprehensive core and edge TS measurements to thoroughly examine beam fueling, beam heating, and transport under low recycling conditions with liquid lithium walls and a lower collisionality scrape-off layer (SOL). The core TS set up provides plasma profiles from R = 40–60 cm. To extend the TS diagnostic coverage: 1) we added a TS viewing optics to cover the SOL region at five radial points from R = 57–64 cm, and 2) another TS viewing optics in the HFS region from R = 15–45 cm to obtain TS data from ten radial positions while making use of the original laser beam. The main focus of this article is on the new HFS TS setup that is equipped with better-matched collection optics located in the horizontal midplane where the laser polarization lies and views from a scattering angle of 130°–150° with respect to the laser path. A set of unequal-length Y-branched fiber bundles transports the TS light from two radial points to each polychromator. The new HFS view is better matched in spot size, scattering angle, and throughput to the laser and polychromators and has new V-grooved style viewing dumps. The new HFS TS view, along with the core and SOL TS views, will provide a full radial measurement coverage from R = 15–64 cm to explore the flat temperature profiles.
To fulfill the increasing needs of diagnostic support for researchers in plasma technology, a portable diagnostic package (PDP) equipped for both laser Thomson scattering (TS) and optical emission spectroscopy has been designed and constructed at Oak Ridge National Laboratory (ORNL), aiming to measure the temperature and number density of electrons and temperatures of ions in plasma devices. The PDP has been initially implemented on a high density and low temperature electrothermal arc source (ET-arc) at ORNL to test its TS capability. TS from the plasmas in the ET-arc has been obtained using the PDP. The electron temperature and number density were determined from TS spectra. These results were then compared to measurements from previous studies on the ET-arc. The TS diagnostic measured 0.8 ± 0.1, 1.3 ± 0.2, and 0.7 ± 0.1 eV and (4.4 ± 0.5) × 1021, (5.9 ± 0.7) × 1021, and (4.3 ± 0.5) x 1021 m-3, respectively, from three lines of sight that transect the plasma column.
Abstract In plants, root hairs undergo a highly polarized form of cell expansion called tip-growth, in which cell wall deposition is restricted to the root hair apex. In order to identify essential cellular components that might have been missed in earlier genetic screens, we identified conditional temperature-sensitive (ts) root hair mutants by ethyl methanesulfonate mutagenesis in Arabidopsis thaliana. Here, we describe one of these mutants, feronia-temperature sensitive (fer-ts). Mutant fer-ts seedlings were unaffected at normal temperatures (20°C), but failed to form root hairs at elevated temperatures (30°C). Map based-cloning and whole-genome sequencing revealed that fer-ts resulted from a G41S substitution in the extracellular domain of FERONIA (FER). A functional fluorescent fusion of FER containing the fer-ts mutation localized to plasma membranes, but was subject to enhanced protein turnover at elevated temperatures. While tip-growth was rapidly inhibited by addition of rapid alkalinization factor 1 (RALF1) peptides in both wild-type and fer-ts mutants at normal temperatures, root elongation of fer-ts seedlings was resistant to added RALF1 peptide at elevated temperatures. Additionally, at elevated temperatures fer-ts seedlings displayed altered reactive oxygen species (ROS) accumulation upon auxin treatment and phenocopied constitutive fer mutant responses to a variety of plant hormone treatments. Molecular modeling and sequence comparison with other Catharanthus roseus receptor-like kinase 1L (CrRLK1L) receptor family members revealed that the mutated glycine in fer-ts is highly conserved, but is not located within the recently characterized RALF23 and LORELI-LIKE-GLYCOPROTEIN 2 binding domains, perhaps suggesting that fer-ts phenotypes may not be directly due to loss of binding to RALF1 peptides.