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At least 703 records · Page 39

Discovery of enzymes for toluene synthesis from anoxic microbial communities

Microbial toluene biosynthesis was reported in anoxic lake sediments more than three decades ago, but the enzyme catalyzing this biochemically challenging reaction has never been identified. Here we report the toluene-producing enzyme PhdB, a glycyl radical enzyme of bacterial origin that catalyzes phenylacetate decarboxylation, and its cognate activating enzyme PhdA, a radical S-adenosylmethionine enzyme, discovered in two distinct anoxic microbial communities that produce toluene. The unconventional process of enzyme discovery from a complex microbial community (>300,000 genes), rather than from a microbial isolate, involved metagenomics- and metaproteomics-enabled biochemistry, as well as in vitro confirmation of activity with recombinant enzymes. This work expands the known catalytic range of glycyl radical enzymes (only seven reaction types had been characterized previously) and aromatic-hydrocarbon-producing enzymes, and will enable first-time biochemical synthesis of an aromatic fuel hydrocarbon from renewable resources, such as lignocellulosic biomass, rather than from petroleum.

59 BASIC BIOLOGICAL SCIENCES↗

Artificial intelligence for materials research at extremes

Abstract Materials development is slow and expensive, taking decades from inception to fielding. For materials research at extremes, the situation is even more demanding, as the desired property combinations such as strength and oxidation resistance can have complex interactions. Here, we explore the role of AI and autonomous experimentation (AE) in the process of understanding and developing materials for extreme and coupled environments. AI is important in understanding materials under extremes due to the highly demanding and unique cases these environments represent. Materials are pushed to their limits in ways that, for example, equilibrium phase diagrams cannot describe. Often, multiple physical phenomena compete to determine the material response. Further, validation is often difficult or impossible. AI can help bridge these gaps, providing heuristic but valuable links between materials properties and performance under extreme conditions. We explore the potential advantages of AE along with decision strategies. In particular, we consider the problem of deciding between low-fidelity, inexpensive experiments and high-fidelity, expensive experiments. The cost of experiments is described in terms of the speed and throughput of automated experiments, contrasted with the human resources needed to execute manual experiments. We also consider the cost and benefits of modeling and simulation to further materials understanding, along with characterization of materials under extreme environments in the AE loop. Graphical abstract AI sequential decision-making methods for materials research: Active learning, which focuses on exploration by sampling uncertain regions, Bayesian and bandit optimization as well as reinforcement learning (RL), which trades off exploration of uncertain regions with exploitation of optimum function value. Bayesian and bandit optimization focus on finding the optimal value of the function at each step or cumulatively over the entire steps, respectively, whereas RL considers cumulative value of the labeling function, where the latter can change depending on the state of the system (blue, orange, or green).

36 MATERIALS SCIENCE↗

Population genomic analysis reveals differential evolutionary histories and patterns of diversity across subgenomes and subpopulations of Brassica napus L.

The allotetraploid species Brassica napus L. is a global crop of major economic importance, providing canola oil (seed) and vegetables for human consumption and fodder and meal for livestock feed. Characterizing the genetic diversity present in the extant germplasm pool of B. napus is fundamental to better conserve, manage and utilize the genetic resources of this species. We used sequence-based genotyping to identify and genotype 30,881 SNPs in a diversity panel of 782 B. napus accessions, representing samples of winter and spring growth habits originating from 33 countries across Europe, Asia, and America. We detected strong population structure broadly concordant with growth habit and geography, and identified three major genetic groups: spring (SP), winter Europe (WE), and winter Asia (WA). Subpopulation-specific polymorphism patterns suggest enriched genetic diversity within the WA group and a smaller effective breeding population for the SP group compared to WE. Interestingly, the two subgenomes of B. napus appear to have different geographic origins, with phylogenetic analysis placing WE and WA as basal clades for the other subpopulations in the C and A subgenomes, respectively. Finally, we identified 16 genomic regions where the patterns of diversity differed markedly from the genome-wide average, several of which are suggestive of genomic inversions. The results obtained in this study constitute a valuable resource for worldwide breeding efforts and the genetic dissection and prediction of complex B. napus traits.

58 GEOSCIENCES↗

Chromatin Changes in Phytochrome Interacting Factor-Regulated Genes Parallel Their Rapid Transcriptional Response to Light

As sessile organisms, plants must adapt to a changing environment, sensing variations in resource availability and modifying their development in response. Light is one of the most important resources for plants, and its perception by sensory photoreceptors (e.g., phytochromes) and subsequent transduction into long-term transcriptional reprogramming have been well characterized. Chromatin changes have been shown to be involved in photomorphogenesis. However, the initial short-term transcriptional changes produced by light and what factors enable these rapid changes are not well studied. Here, we define rapidly light-responsive, Phytochrome Interacting Factor (PIF) direct-target genes (LRP-DTGs). We found that a majority of these genes also show rapid changes in Histone 3 Lysine-9 acetylation (H3K9ac) in response to the light signal. Detailed time-course analysis of transcript and chromatin changes showed that, for light-repressed genes, H3K9 deacetylation parallels light-triggered transcriptional repression, while for light-induced genes, H3K9 acetylation appeared to somewhat precede light-activated transcript accumulation. However, direct, real-time imaging of transcript elongation in the nucleus revealed that, in fact, transcriptional induction actually parallels H3K9 acetylation. Collectively, the data raise the possibility that light-induced transcriptional and chromatin-remodeling processes are mechanistically intertwined. Histone modifying proteins involved in long term light responses do not seem to have a role in this fast response, indicating that different factors might act at different stages of the light response. This work not only advances our understanding of plant responses to light, but also unveils a system in which rapid chromatin changes in reaction to an external signal can be studied under natural conditions.

59 BASIC BIOLOGICAL SCIENCES↗

Transiting Planets Near the Snow Line from Kepler. I. Catalog

We present a comprehensive catalog of cool (period P ≳ 2 yr) transiting planet candidates in the 4 yr light curves from the prime Kepler mission. Most of the candidates show only one or two transits and have largely been missed in the original Kepler Object of Interest catalog. Our catalog is based on all known such candidates in the literature, as well as new candidates from the search in this paper, and provides a resource to explore the planet population near the snow line of Sun-like stars. We homogeneously performed pixel-level vetting, stellar characterization with Gaia parallax and archival/Subaru spectroscopy, and light-curve modeling to derive planet parameters and to eliminate stellar binaries. The resulting clean sample consists of 67 planet candidates whose radii are typically constrained to 5%, in which 23 are newly reported. The number of Jupiter-sized candidates (29 with radius r>8 R{sub ⊕}) in the sample is consistent with the Doppler occurrence. The smaller candidates are more prevalent (23 with 4 4 R{sub ⊕} have systematically higher [Fe/H] than do the Kepler field stars, providing evidence that giant planet–metallicity correlation extends to P>2 yr.

79 ASTRONOMY AND ASTROPHYSICS↗

Study of Additive Manufacturing Application to Geothermal Technologies

Geothermal reservoir characterization, field construction, and reservoir operations are very technology intensive activities that contribute significantly to the cost of delivering electricity produced from geothermal resources. Many geothermal technologies, such as downhole tools and drilling equipment, have unusual material, design, and manufacturing considerations dictated by the harsh geothermal environment and extreme aspect ratios required for deployment in a borehole. An additional challenge that faces geothermal applications is the low tool production volume needed to support the industry. Whereas tens of thousands of Oil & Gas wells are drilled and completed in the U.S. annually, there are typically only tens of geothermal wells that are drilled and completed. If a tool typically used in Oil & Gas applications cannot be directly used for geothermal, then the cost associated with making the tool suitable for geothermal is often prohibitive. There is therefore a much smaller inventory of technologies available to geothermal as compared to Oil & Gas and the level of efficiency and sophistication associated with field practice suffers accordingly. A number of advanced manufacturing methods, such as additive manufacturing, have received increased R&D as well as commercial attention in recent years because of their ability to rapidly prototype complex parts. Additive manufacturing in particular provides an opportunity to increase the technology available to the geothermal industry by either reducing fabrication costs associated with complex components or enabling economic production of low volume parts where specialized tooling is often required. Additional potential benefits of additive manufacturing include increased design freedom to make higher performing parts that cannot be made conventionally, the ability to integrate components into assemblies without joining operations, and the ability to economically fabricate variations on design in cases, such as casting molds, where there are large up-front costs associated with tooling. We have recently completed a study that investigated technology needs, representative use cases, manufacturability, and a techno-economic framework for comparing conventional to additive manufacturing methods for geothermal applications. This paper will provide an overview of this recent effort, describe the different elements of the assessment, and summarize the key takeaways related to both the feasibility of using additive manufacturing for geothermal technology applications as well as the potential benefits and impacts.

Polsky, Yarom↗

Characterization and Spatial Mapping of the Human Gut Metasecretome

Bacterially secreted proteins are necessary for the proper functioning of bacterial cells and communities. Secreted proteins provide bacterial cells with the ability to harvest resources from the exterior, import these resources into the cell, and signal to other bacteria.

59 BASIC BIOLOGICAL SCIENCES↗

Coupled wave-current modeling for hydrodynamic load analysis of macroalgae cultivation farms

Large-scale cultivation of macroalgae is one of the most promising biofuel sources that could reduce our consumption of fossil fuels and would be particularly economically competitive when grown for the co-production of additional goods such as food and textiles. Current production of biofuel from algal biomass is limited by labor costs and lack of data on potential impacts of cultivation and harvesting on marine and coastal environments as well as a comprehensive characterization of the impact of environmental conditions on macroalgal feedstock and their bioproduct and biofuel yield and quality. Awarded by the United States (U.S.) Department of Energy Advanced Research Projects Agency-Energy (ARPA-E) Macroalgae Research Inspiring Novel Energy Resources (MARINER) program, which seeks to enable the U.S. as a global leader in the production of marine biomass, the Marine Biological Laboratory (MBL) has been developing a test system for tropical seaweed cultivation in the Gulf of Mexico and the Caribbean. An integral step in designing macroalgae cultivation farms is to adequately characterize the hydrodynamic climate at potential growth sites. In regions like the Gulf of Mexico and the Caribbean, which are highly exposed to tropical cyclones, it is critical to not only consider the day-to-day hydrodynamic conditions but to also assess the risk of extreme sea states to ensure the survivability of future macroalgae farms. Under these considerations, the Pacific Northwest National Laboratory (PNNL) is providing modeling support for MBL to inform the design and siting of the farm systems that have been proposed for their ARPA-E MARINER project. This report describes the development of a high-resolution coupled storm surge and wave model to simulate the hydrodynamics and wave climate at proposed macroalgae cultivation sites selected by MBL in Florida and Puerto Rico. Model results, including model validation, water level, current distributions, and sea states, are discussed for both selected sites in Florida and Puerto Rico coast. These simulations provide an accurate insight into the hydrodynamic conditions that a macroalgae farm is likely to experience during its operational lifetime, including current information to support fine-scale hydrodynamic load modeling, risk analysis and system design.

09 BIOMASS FUELS↗

Results For The Third Quarter Calendar Year 2016 Tank 50H Salt Solution Sample

In this memorandum, the chemical and radionuclide contaminant results from the Third Quarter Calendar Year 2016 (CY16) sample of Tank 50H salt solution are presented in tabulated form. The Third Quarter CY16 Tank 50H samples (a 200 mL sample obtained 6” below the surface (HTF-5-16-63) and a 1 L sample obtained 66” from the tank bottom (HTF-50-16-64)) were obtained on July 14, 2016 and received at Savannah River National Laboratory (SRNL) on the same day. Prior to obtaining the samples from Tank 50H, a single pump was run at least 4.4 hours, and the samples were pulled immediately after pump shut down. The information from this characterization will be used by Defense Waste Processing Facility (DWPF) & Saltstone Facility Engineering for the transfer of aqueous waste from Tank 50H to the Saltstone Production Facility, where the waste will be treated and disposed of in the Saltstone Disposal Facility. This memorandum compares results, where applicable, to Saltstone Waste Acceptance Criteria (WAC) limits and targets. Data pertaining to the regulatory limits for Resource Conservation and Recovery Act (RCRA) metals will be documented at a later time per the Task Technical and Quality Assurance Plan (TTQAP) for the Tank 50H saltstone task. The chemical and radionuclide contaminant results from the characterization of the Third Quarter CY16 sampling of Tank 50H were requested by Savannah River Remediation (SRR) personnel and details of the testing are presented in the SRNL TTQAP.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Categorization of potential distributed energy resource (DER) opportunities in water and wastewater systems in California

This is an informal interim deliverable in the larger California Public Utilities Commission analytical support project. This document provide a high level categorization of potential distributed energy resource (DER) opportunities in water and wastewater systems in California. Future deliverables in this project will provide more detail on grid services that might be provided by the identified unit processes, a characterization of maturity and potential impacts to cost effectiveness, and an order of magnitude estimate of DER potential that may be practically achievable in California through water and wastewater systems informed by case studies in California and beyond.

13 HYDRO ENERGY↗

MRCI Subtask 2.1: Defining Sub-Regional Carbon Storage Systems Final Technical Summary Report

In order to assess the regional and subregional geologic framework of the MRCI area and expand carbon dioxide (CO2) storage characterization efforts in this larger region, the current state of geologic knowledge relative to carbon storage (CS) has been summarized by compiling available geologic data and interpretive results into a centralized resource under Subtask 2.1. The MRCI region is a large area, which includes (1) part of the Forest City Basin and Western Arches, (2) Illinois Basin, (3) Upper Mississippi Embayment, (4) Michigan Basin, (5) Central Arches, (6) Appalachian Basin, and (7) Atlantic Coastal Plain and West Atlantic basins. Basins and arches are subdivided into areas of similar geology based on geologic structures and state-specific stratigraphic nomenclature. A concerted effort was made to present the current understanding of rock-unit stratigraphy in the subsurface of each basin and arch region (and subdivisions therein). Rock units are characterized based on their relative CS potential (saline reservoirs, confining intervals, etc.) within CS systems. CS systems are defined by regional confining units (usually thick, widespread shales), and contain all reservoirs and strata between the regional confining units. Report Authors – Steve Greb and Tom Sparks (Kentucky Geological Survey), Mark Kelley, Sanjay Mawalkar, John Hershberger, Priya Ravi Ganesh, Derrick James, and Stuart Skopec (Battelle), Charles Bopp, Yaghoob Lasemi and Hannes Leetaru (deceased) (Illinois State Geological Survey), Kristin Carter (Pennsylvania Geological Survey), William Harrison (Michigan Geological Repository for Research and Education – Michigan Geological Survey), Susan Pool (West Virginia Geological and Economic Survey), James McDonald (Ohio Geological Survey), John Schmelz (Rutgers University), Ryan Clark (Iowa Geological Survey). Other Technical Contributors – Seth Carpenter and John Hickman (Kentucky Geological Survey), Jessica Moore, Eric Lewis, Philip Dinterman, Timothy Vance, and Gary Daft (West Virginia Geological and Economic Survey), Michele Cooney, Robin Anthony, Cheyenne Woodward, and Katherine Schmid (Pennsylvania Geological Survey), Autumn Haagsma and Amber Conner (Michigan Geological Repository for Research and Education – Michigan Geological Survey), Kenneth Miller (Rutgers University), Ashley Douds and Valerie Beckham-Feller (Indiana Geological & Water Survey), Michael Solis (Ohio Geological Survey).

Appalachian,Arches,Forest City,Illinois,MRCI,Michi↗

Impact of Climate Variabilities and Human Activities on Surface Water Extents in Reservoirs of Yongding River Basin, China, from 1985 to 2016 Based on Landsat Observations and Time Series Analysis

Yongding River is the largest river flowing through Beijing, the capital city of China. In recent years, Yongding River Basin (YDRB) has seen increasing human impacts on water resources, posing serious challenges in hydrological and ecological health. In this study, remote sensing techniques and statistical time series approaches for hydrological studies were combined to characterize the dynamics and driving factors of reservoir water extents in YDRB during 1985–2016. First, 107 Landsat 4, 5, 7 and 8 images were used to extract surface water extents in YDRB during 1985–2016 using a combination of water indices and Otsu threshold algorithm. Significant positive correlation was found between water extents and the annual inflow for the two biggest reservoirs, the downstream Guanting and upstream Cetian reservoirs, proving their representativeness of surface water availability in this basin. Then, statistical time series approaches including trend-free pre-whitening Mann-Kendall trend test, Pettit change-point test and double mass curve method, which are frequently used in hydrological studies, were adopted to quantify the trend of reservoir water extents dynamics and the relative contributions of climate variability and human activities. Results showed that the water extents in both reservoirs exhibited significant downward trend with change point occurring in 2001 and 2005 for Guanting and Cetian, respectively. About 74%~75% of the shrinkage during the post-change period can be attributed to human activities, among which GDP, population, electricity power production, raw coal production, steel and crude iron production, value of agriculture output, and urban area were the major human drivers. Hydrological connectivity between the upstream Cetian and downstream Guanting reservoirs declined during the post-change period. Since 2012, water extents in both reservoirs recovered as a result of various governmental water management policies including the South-to-North Water Diversion Project. The methodology introduced in this study can be used for analyzing the dynamics and driving mechanism of surface water resources, especially for un-gauged or poorly-gauged watersheds.

47 OTHER INSTRUMENTATION↗

Hawaiian Electric Advanced Inverter Grid Support Function Laboratory Validation and Analysis

The objective for this test plan was to better understand how to utilize the performance capabilities of advanced inverter functions to allow the interconnection of distributed energy resource (DER) systems to support the new Customer Self-Supply, Customer Grid-Supply, and other future DER programs. The purpose of this project was: 1) to characterize how the tested grid supportive inverters performed the functions of interest, 2) to evaluate the grid supportive inverters in an environment that emulates the dynamics of O'ahu's electrical distribution system, and 3) to gain insight into the benefits of the grid support functions on selected O'ahu island distribution feeders. These goals were achieved through laboratory testing of photovoltaic inverters, including power hardware-in-the-loop testing.

14 SOLAR ENERGY↗

Characterization of U.S. Wave Energy Converter (WEC) Test Sites: A Catalogue of Met-Ocean Data.

This report presents met - ocean data and wave energy characteristics at three U.S. wave energy converter (WEC) test and potential deployment sites . Its purpose is to enable the compari son of wave resource characteristics among sites as well as the select io n of test sites that are most suitable for a developer's device and that best meet their testing needs and objectives . It also provides essential inputs for the design of WEC test devices and planning WEC tests, including the planning of deployment and op eration s and maintenance. For each site, this report catalogues wave statistics recommended in the (draft) International Electrotechnical Commission Technical Specification (IEC 62600 - 101 TS) on Wave Energy Characterization, as well as the frequency of oc currence of weather windows and extreme sea states, and statistics on wind and ocean currents. It also provides useful information on test site infrastructure and services .

Dallman, Ann Renee↗

Results for the Fourth Quarter Calendar Year 2015 Tank 50H Salt Solution Sample

In this memorandum, the chemical and radionuclide contaminant results from the Fourth Quarter Calendar Year 2015 (CY15) sample of Tank 50H salt solution are presented in tabulated form. The Fourth Quarter CY15 Tank 50H samples were obtained on October 29, 2015 and received at Savannah River National Laboratory (SRNL) on October 30, 2015. The information from this characterization will be used by Defense Waste Processing Facility (DWPF) & Saltstone Facility Engineering for the transfer of aqueous waste from Tank 50H to the Salt Feed Tank in the Saltstone Production Facility, where the waste will be treated and disposed of in the Saltstone Disposal Facility. This memorandum compares results, where applicable, to Saltstone Waste Acceptance Criteria (WAC) limits and targets. Data pertaining to the regulatory limits for Resource Conservation and Recovery Act (RCRA) metals will be documented at a later time per the Task Technical and Quality Assurance Plan (TTQAP) for the Tank 50H saltstone task. The chemical and radionuclide contaminant results from the characterization of the Fourth Quarter Calendar Year 2015 (CY15) sampling of Tank 50H were requested by SRR personnel and details of the testing are presented in the SRNL Task Technical and Quality Assurance Plan.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Assessing the recharge process and importance of montane water to adjacent tectonic valley-plain groundwater using a ternary end-member mixing analysis based on isotopic and chemical tracers

A study in eastern Taiwan evaluated the importance of montane water contribution (MC) to adjacent valley-plain groundwater (VPG) in a tectonic suture zone. The evaluation used a ternary natural-tracer-based end-member mixing analysis (EMMA). With this purpose, VPG and three end-member water samples of plain precipitation (PP), mountain-front recharge (MFR), and mountain-block recharge (MBR) were collected and analyzed for stable isotopic compositions (δ{sup 2}H and δ{sup 18}O) and chemical concentrations (electrical conductivity (EC) and Cl{sup −}). After evaluation, Cl{sup −} is deemed unsuitable for EMMA in this study, and the contribution fractions of respective end members derived by the δ{sup 18}O–EC pair are similar to those derived by the δ{sup 2}H–EC pair. EMMA results indicate that the MC, including MFR and MBR, contributes at least 70% (679 × 10{sup 6} m{sup 3} water volume) of the VPG, significantly greater than the approximately 30% of PP contribution, and greater than the 20–50% in equivalent humid regions worldwide. The large MC is attributable to highly fractured strata and the steep topography of studied catchments caused by active tectonism. Furthermore, the contribution fractions derived by EMMA reflect the unique hydrogeological conditions in the respective study sub-regions. A region with a large MBR fraction is indicative of active lateral groundwater flow as a result of highly fractured strata in montane catchments. On the other hand, a region characterized by a large MFR fraction may possess high-permeability stream beds or high stream gradients. Those hydrogeological implications are helpful for water resource management and protection authorities of the studied regions.

58 GEOSCIENCES↗