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Quietly Building Capabilities: New Instruments, Expertise, "Quiet Wing" Available at DOE User Facility
This feature article is prepared for publication in Microscopy Today. The goal is to communicate the value of the Quiet Wing, EMSL’s growing microscopy capability, and the science they enable to the microscopy community and hopefully various related research communities (e.g. catalysis, etc.). The secondary goals are to demonstrate EMSL’s leadership in microscopy and show our DOE client we are making excellent use of ARRA and other investments.
Discovery of an Orally Available Diazabicyclooctane Inhibitor (ETX0282) of Class A, C, and D Serine
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Discovery and Characterization of Potent, Efficacious, Orally Available Antimalarial Plasmepsin X In
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Discovery of [cis-3-({(5R)-5-[(7-Fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl}carbonyl)cyclobutyl]acetic Acid (TAK-828F) as a Potent, Selective, and Orally Available Novel Retinoic Acid Receptor-Related Orphan Receptor [gamma]t Inverse Agonist
Abstract not provided
Life Cycle Inventory Availability: Status and Prospects for Leveraging New Technologies
The demand for life cycle assessments (LCA) is growing rapidly, which leads to an increasing demand of life cycle inventory (LCI) data. While the LCA community has made significant progress in developing LCI databases for diverse applications, challenges still need to be addressed. This perspective summarizes the current data gaps, transparency, and uncertainty aspects of existing LCI databases. Additionally, we survey and discuss novel techniques for LCI data generation, dissemination, and validation. We propose key future directions for LCI development efforts to address these challenges, including leveraging scientific and technical advances such as the Internet of Things (IoT), machine learning, and blockchain/cloud platforms. Adopting these advanced technologies can significantly improve the quality and accessibility of LCI data, thereby facilitating more accurate and reliable LCA studies.
Rare Earth Elements and Actinides: Progress in Computational Science Applications: Chapter 3 Title: Rare Earth Elements and Critical Materials: Uses and Availability
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Variation in Energy Available to Populations of Subsurface Anaerobes in Response to Geological Carbon Storage
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Siting algae cultivation facilities for biofuel production in the United States: trade-offs between growth rate, site constructability, water availability, and infrastructure
Locating sites for new algae cultivation facilities is a complex task. The climate must support high growth rates, and cultivation ponds require appropriate land and water resources as well as key utility and transportation infrastructure. We employ our spatiotemporal Biomass Assessment Tool (BAT) to select promising locations based on the open-pond cultivation of Arthrospira sp. and a strain of the order Desmidiales. 64,000 potential sites across the southern United States were evaluated. We progressively apply a range of screening criteria and track their impact on the number of selected sites, geographic location, and biomass productivity. Both strains demonstrate maximum productivity along the Gulf of Mexico coast, with the highest values on the Florida peninsula. In contrast, sites meeting all selection criteria for Arthrospira were located along the southern coast of Texas and for Desmidiales were located in Louisiana and southern Arkansas. Site selection was driven mainly by the lack of oil pipeline access in Florida and elevated groundwater salinity in southern Texas. The requirement for low salinity freshwater (<400 mg L-1) constrained Desmidiales locations; siting flexibility is greater for salt-tolerant species such as Arthrospira. Combined siting factors can result in significant departures from regions of maximum productivity but are within the expected range of site-specific process improvements.
Disentangling the Effects of Vapor Pressure Deficit and Soil Water Availability on Canopy Conductance in a Seasonal Tropical Forest During the 2015 El Niño Drought
In land models used in Earth system models, vegetation water stress is heuristically related to soil water matric potential, and root water uptake in soil layers is simply proportional to root density to meet the transpiration demand. The efficiency of roots utilizing deeper soil water under water stress cannot be well represented, but it is of critical importance for transpiration regulation and carbon flux. To improve modeling of tropical forest response to drought, a plant hydrodynamic scheme (HYDRO), adapted from a trait-based model in the Functionally Assembled Terrestrial Ecosystem Simulator (FATES), has been implemented in the Energy Exascale Earth System Model (E3SM) Land Model (ELM) to represent the hydraulic dynamics and root water uptake strategy. The adapted model conforms to the big-leaf photosynthesis model in ELM. Vegetation water stress in the model is a function of prognostic leaf water potential and is used to regulate stomatal conductance. Point simulations were performed at two tropical forest sites in the Amazon and Panama. Model sensitivity to the numerical solver, plant hydraulic traits, soil properties, and atmospheric forcing has been evaluated. Our results showed that, even though water stress factors calculated at our study sites using HYDRO are comparable to that simulated by the heuristic water stress model, soil moisture prediction is improved with soil water redistributions through roots. Simulated results using HYDRO is not as sensitive to plant hydraulic traits measured for different tree species as to the soil properties and atmospheric forcing. Simplified numerical solver may cause inaccuracy as to where roots uptake water. This study suggests that plant hydrodynamic representation is critical for improved simulations of soil moisture under water stresses.
Towards stable and commercially available perovskite solar cells
Solar cells employing a halide perovskite with an organic cation now show power conversion efficiency of up to 22%. But, these cells are facing issues towards commercialization, such as the need to achieve long-term stability and the development of a manufacturing method for the reproducible fabrication of high-performance devices. We propose a strategy to obtain stable and commercially viable perovskite solar cells. A reproducible manufacturing method is suggested, as well as routes to manage grain boundaries and interfacial charge transport. Electroluminescence is regarded as a metric to gauge theoretical efficiency. We highlight how optimizing the design of device architectures is important not only for achieving high efficiency but also for hysteresis-free and stable performance. Here, we argue that reliable device characterization is needed to ensure the advance of this technology towards practical applications. We believe that perovskite-based devices can be competitive with silicon solar modules, and discuss issues related to the safe management of toxic material.
Light-independent regulation of algal photoprotection by CO 2 availability
Photosynthetic algae have evolved mechanisms to cope with suboptimal light and CO 2 conditions. When light energy exceeds CO 2 fixation capacity, Chlamydomonas reinhardtii activates photoprotection, mediated by LHCSR1/3 and PSBS, and the CO 2 Concentrating Mechanism (CCM). How light and CO 2 signals converge to regulate these processes remains unclear. Here, we show that excess light activates photoprotection- and CCM-related genes by altering intracellular CO 2 concentrations and that depletion of CO 2 drives these responses, even in total darkness. High CO 2 levels, derived from respiration or impaired photosynthetic fixation, repress LHCSR3/CCM genes while stabilizing the LHCSR1 protein. Finally, we show that the CCM regulator CIA5 also regulates photoprotection, controlling LHCSR3 and PSBS transcript accumulation while inhibiting LHCSR1 protein accumulation. This work has allowed us to dissect the effect of CO 2 and light on CCM and photoprotection, demonstrating that light often indirectly affects these processes by impacting intracellular CO 2 levels.
A hemoprotein with a zinc-mirror heme site ties heme availability to carbon metabolism in cyanobacteria
Abstract Heme has a critical role in the chemical framework of the cell as an essential protein cofactor and signaling molecule that controls diverse processes and molecular interactions. Using a phylogenomics-based approach and complementary structural techniques, we identify a family of dimeric hemoproteins comprising a domain of unknown function DUF2470. The heme iron is axially coordinated by two zinc-bound histidine residues, forming a distinct two-fold symmetric zinc-histidine-iron-histidine-zinc site. Together with structure-guided in vitro and in vivo experiments, we further demonstrate the existence of a functional link between heme binding by Dri1 (Domain related to iron 1, formerly ssr1698) and post-translational regulation of succinate dehydrogenase in the cyanobacterium Synechocystis , suggesting an iron-dependent regulatory link between photosynthesis and respiration. Given the ubiquity of proteins containing homologous domains and connections to heme metabolism across eukaryotes and prokaryotes, we propose that DRI (Domain Related to Iron; formerly DUF2470) functions at the molecular level as a heme-dependent regulatory domain.