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At least 271 records · Page 15

PDB‐101: Molecular Explorations through Biology and Medicine

PDB‐101 is an online portal for teachers, students, and the general public to promote exploration of the structural biology of proteins and nucleic acids ( pdb101.rcsb.org ). Learning about the diverse shapes and functions of these biological macromolecules helps to understand all aspects of biomedicine and agriculture, from protein synthesis to health and disease to biological energy. Why PDB‐101? Researchers around the world are studying these molecules at the atomic level. These 3D structures are freely available at the Protein Data Bank (PDB), the central storehouse of biomolecular structures. This website builds introductory materials to help beginners get started in the basics of biomolecular structure and function (“101”, as in an entry level course) as well as resources for extended learning. Since 2011, PDB‐101 has been developed by the RCSB PDB , a global resource for the advancement of research and education in biology and medicine. Along with our Worldwide PDB collaborators, RCSB PDB curates, annotates, and makes publicly available the PDB data deposited by scientists around the globe. The RCSB PDB then provides a window to these data through a rich online resource with powerful searching, reporting, and visualization tools for researchers. This information is then streamlined for students and teachers at PDB‐101. Features include the ongoing Molecule of the Month series, educational materials such as paper models, posters, molecular animations, educational curricula and more. The section “Guide to Understanding PDB Data” is a primer for detailed PDB‐specific information: PDB Data, Visualizing Structures, Reading Coordinate Files, scientific methods for structure determination, and more. PDB‐101 also runs annual Video Challenges for high school students. Participants create short videos that tell molecular stories that connect structural biology and medicine. Previous topics have included HIV/AIDS, diabetes, and antimicrobial resistance. The 2022 challenge will focus on Molecular Mechanisms of Cancer. PDB‐101 activities are evaluated using user surveys, feedback from in‐person activities, and website analytics. In 2020, PDB‐101 hosted >850,000 users and >2.6 million page views.

Zardecki, Christine↗

eQuilibrator 3.0: a database solution for thermodynamic constant estimation

Abstract eQuilibrator (equilibrator.weizmann.ac.il) is a database of biochemical equilibrium constants and Gibbs free energies, originally designed as a web-based interface. While the website now counts around 1,000 distinct monthly users, its design could not accommodate larger compound databases and it lacked a scalable Application Programming Interface (API) for integration into other tools developed by the systems biology community. Here, we report on the recent updates to the database as well as the addition of a new Python-based interface to eQuilibrator that adds many new features such as a 100-fold larger compound database, the ability to add novel compounds, improvements in speed and memory use, and correction for Mg2+ ion concentrations. Moreover, the new interface can compute the covariance matrix of the uncertainty between estimates, for which we show the advantages and describe the application in metabolic modelling. We foresee that these improvements will make thermodynamic modelling more accessible and facilitate the integration of eQuilibrator into other software platforms.

59 BASIC BIOLOGICAL SCIENCES↗

Targeted Technology Transfer to US Independents

The Petroleum Technology Transfer Council (PTTC) is a unique not-for-profit network that focuses on transferring Exploration and Production (E&P) technology to the domestic oil and natural gas producing industry. PTTC connects producers, technology providers and innovators, academia, research and development (R&D) consortiums and governments. Local affordable workshops delivered by Regional Lead Organizations (RLOs), which are typically a university or geological survey, are a primary tool. PTTC also maintains a website network, issues a national newsletter, provides a column in a major trade publication, and exhibits at major industry events. It also encourages industry to ask technology-related questions, striving to find relevant answers that will save questioners significant time. Working since late 1993, the PTTC network has a proven track record of providing industry with technology insights they can apply. Volunteers at the regional and national level provide key guidance regarding where to focus technical effort and help connect PTTC with industry. At historical funding levels, PTTC had been able to hold well more than 100 workshops per year, drawing 6,000+ attendees. As funding decreased in the early 2000s, the level of activity decreased and PTTC sought a merger with the American Association of Petroleum Geologists (AAPG), becoming an AAPG-managed organization at the start of FY08. This relationship with AAPG was terminated by mutual consent in May 2011 and PTTC once again operates independently. Chris Hall, California continued to serve as Chairman of the Board of Directors until December 2013. At the time PTTC reorganized into a RLO led organization with Mary Carr and Jeremy Viscomi as co-Executive Directors. Jerry Anderson became the Chairman of the PTTC Board of Directors and Chris Hall continues to serve on the Board. Workshop activity stabilized at 55-65 workshops per year averaging 3,100 attendees. FY14 represented the fifth year in a multi-year contract with the Department of Energy (DOE) for providing technology transfer services. This report summarizes activity and results during for five years, FY10 through FY14. In FY12 changes occurred in responsibilities of consultants serving HQ, because funding was reduced below the threshold level of $500,000 audits were no longer required and consultant time was reduced on the primary contract. Contracts for Permian Carbon Capture Utilization and Storage (CCUS) training, and providing tech transfer services to the Research Partnership to Secure Energy for America (RPSEA) provided work that enabled HQ to retain services of regular consultants. Both CCUS and RPSEA were five year contracts with PTTC, and providing services for these DOE funded contracts provided synergy for PTTC and the oil and gas industry. With further decreases in DOE funding the regions conducted workshops with no PTTC funding starting in June FY11. Since 2011 the number of workshops has declined from 79 in FY10 and FY11 to 49 in FY12, and risen to 54 in FY13 and 63 in FY14. The attendee's numbers dipped slightly below 3,000 per year in FY 10, FY12, and FY13, but rose to over 3,800 in FY 11 and 3105 in FY14. Quantitative accomplishments: PTTC has maintained its unique structure of a national organization working through Regional Lead Organizations (RLOs) to deliver local, affordable workshops. During the contract period PTTC consolidated from 10 to five regions to increase efficiency, and because no active RLO's would be maintained in the Central and Eastern Gulf Coast regions. RLO's for the regions are located at: Eastern - West Virginia University, (Illinois Geol. Survey., W. Michigan Univ. FY10-12); Midwest created in FY13 - Illinois Geological Survey, W. Michigan University; Midcontinent - University of Kansas, expanded to Houston, TX (2013-14); Rocky Mountain - Colorado School of Mines; Texas/SE New Mexico (FY10-FY11) - Bureau of Economic Geology, Univ. of Texas at Austin; West Coast - Conservation Committee of California O&G Producers.

02 PETROLEUM↗

Proceedings of the 6th US/German Workshop on Salt Repository Research, Design, and Operation

The 6th US/German Workshop on Salt Repository Research, Design, and Operation was held in Dresden. Germany on September 7-9, 2015. Over seventy participants helped advance the technical basis for salt disposal of radioactive waste. The number of collaborative efforts continues to grow and to produce useful documentation, as well as to define the state of the art for research areas. These Proceedings are divided into Chapters, and a list of authors is included in the Acknowledgement Section. Also in this document are the Technical Agenda, List of Participants, Biographical Information, Abstracts, and Presentations. Proceedings of all workshops and other pertinent information are posted on websites hosted by Sandia National Laboratories and the Nuclear Energy Agency Salt Club. The US/German workshops provide continuity for long-term research, summarize and publish status of mature areas, and develop appropriate research by consensus in a workshop environment. As before, major areas and findings are highlighted, which constitute topical Chapters in these Proceedings. In total, the scientific breadth is substantial and while not all subject matter is elaborated into chapter format, all presentations and abstracts are published in this document. In the following Proceedings, six selected topics are developed in detail.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

U.S. Hydropower Market Report

The January 2021 edition of the U.S. Hydropower Market Report is the third complete edition of this report (the first two were the 2014 and 2017 Hydropower Market Report published in 2015 and 2018, respectively). In intervening years between publishing the full report, updated data are also summarized and released, and can be found at the Oak Ridge National Lab (ORNL) HydroSource website. This report combines data from public and commercial sources, as well as research findings from other U.S. Department of Energy (DOE) R&D projects to provide a comprehensive picture of developments in the U.S. hydropower and pumped-storage hydropower fleet and industry trends. The report highlights developments in 2017–2019 (the years for which new data has become available since the publication of the 2017 Hydropower Market Report), and contextualizes this information compared to evolving high-level trends over the past 10–20 years. Apart from presenting trends over time, the report discusses differences in those trends by region, plant size, owner type, or other attributes.

13 HYDRO ENERGY↗

Exploring Earth and the Solar System: Educational Outreach Through NASA's Space Place, SciJinks, and Climate Kids Websites

NASA's Space Place team publishes engaging content and creates an effective environment to inspire a young audience to dare mighty things. NASA uses the Space Place, Climate Kids, and SciJinks websites to cultivate interest among elementary-school-aged children in both science and technology. During my summer internship at Jet Propulsion Laboratory I used Adobe Flash and ActionScript 3 to develop content for the Space Place, Climate Kids, and SciJinks sites. In addition, I was involved in the development process for ongoing and new projects during my internship. My involvement allowed me to follow a project from concept to design, implementation, and release. I personally worked on three projects this summer, two of which are currently in deployment. The first is a scrambled letter-tile guessing game titled Solar System Scramble. The second, Butterfrog Mix-Up, is a rotating-tile puzzle game. The third project is a unfinished prototype for a maze game.

video games↗

Documentation of operational protocol for the use of MAMA software

Image analysis of Scanning Electron Microscope (SEM) micrographs is a complex process that can vary significantly between analysts. The factors causing the variation are numerous, and the purpose of Task 2b is to develop and test a set of protocols designed to minimize variation in image analysis between different analysts and laboratories, specifically using the MAMA software package, Version 2.1. The protocols were designed to be “minimally invasive”, so that expert SEM operators will not be overly constrained in the way they analyze particle samples. The protocols will be tested using a round-robin approach where results from expert SEM users at Los Alamos National Laboratory, Lawrence Livermore National Laboratory, Pacific Northwest National Laboratory, Savannah River National Laboratory, and the National Institute of Standards and Testing will be compared. The variation of the results will be used to quantify uncertainty in the particle image analysis process. The round-robin exercise will proceed with 3 levels of rigor, each with their own set of protocols, as described below in Tasks 2b.1, 2b.2, and 2b.3. The uncertainty will be developed using NIST standard reference material SRM 1984 “Thermal Spray Powder – Particle Size Distribution, Tungsten Carbide/Cobalt (Acicular)” [Reference 1]. Full details are available in the Certificate of Analysis, posted on the NIST website (http://www.nist.gov/srm/).

97 MATHEMATICS AND COMPUTING↗

U.S. Hydropower Market Report (January 2021 edition)

This is the third complete edition of the U.S. Hydropower Market Report (the first two were the 2014 and 2017 Hydropower Market Report published in 2015 and 2018, respectively). In intervening years between publishing the full report, updated data are also summarized and released, and can be found at the Oak Ridge National Lab (ORNL) HydroSource website. This report combines data from public and commercial sources as well as research findings from other Department of Energy (DOE) R&D projects in order to provide a comprehensive picture of developments in the U.S. hydropower and PSH fleet and industry trends. Prior to the first Market Report being published, there was a noted lack of publicly available and easily accessible information about hydropower in the United States and other important trends affecting this important sector of the energy industry. New and valuable types of information are constantly being developed in the course of DOE research activities and, in a rapidly evolving energy industry, it is important that these data be made available in a predictable and consistent manner for use by all different types of stakeholders and decision-makers.The report highlights developments in 2017–2019 (the years for which new data has become available since the publication of the 2017 Hydropower Market Report), and contextualizes this information compared to evolving high-level trends over the past 10–20 years. Apart from presenting trends over time, the report discusses differences in those trends by region, plant size, owner type, or other attributes.

13 HYDRO ENERGY↗

Resource Characterization for Community Scale Tidal Instream Energy in Maine [Abstract]

Coastal and island communities in Maine are seeking solutions to increase the resiliency of their electrical grid while also reducing their carbon footprint. Unfortunately, many community scale tidal resources identified on the Maine coast have not been rigorously evaluated; previous studies identified numerous hot spots but left many of them unevaluated or under evaluated (e.g., only power density was assessed in many cases). The primary objective of this TEAMER project is to evaluate selected community scale tidal instream resources to demonstrate their potential for contributing to the renewable energy needs of nearby coastal communities. The methods developed in this study will enable the total community scale tidal instream energy resource along the Maine coast to be evaluated in follow-on studies. The study will also enable turbine developers to understand how to scale and optimize their devices for deployment in turbine farms at community scale sites. Data from the study will be shared publicly through MHKDR or relevant community websites.

16 TIDAL AND WAVE POWER↗

The International Intercomparison of 3-Dimensional Radiation Codes

I3RC (International Intercomparison of 3-dimensional Radiation Codes) has as its primary goal to compare a wide variety of three-dimensional (3D) radiative transfer methods applied to Earth's atmosphere, with a few selected cloud fields as input, and a few selected radiative quantities as output. Phases 1 and 2 are now complete, and participants represented institutions in Canada, France, Germany, Russia, the United Kingdom, and the USA, who met for two workshops in Tucson, Arizona USA, and compared results from 5 cloud fields of varying complexity, beginning with simplified atmosphere and surface, and proceeding to more realistic cases. Phase 3 is now underway, focusing on improvement and sharing of 3D radiation code, aided by working groups on "Approximations" and "Open Source". The "Approximations" group has so far focused on diffusive approximate methods in an attempt to gain advantages in execution time, and also to advance the understanding of 3D radiation processes. The "Open Source" subgroup is developing a Monte Carlo radiative transfer toolkit that makes state-of-the-art techniques available to a wide range of users. Activities of both subgroups are further explained at the I3RC website http://i3rc.gsfc.nasa.gov. Participants in 13RC are forming a 3D Working Group under the auspices of the International Radiation Commission, and will meet for this and related activities at a workshop in Tucson in November 2002.

Cahalan, R. F.↗

Business Solutions Case Study: Marketing Zero Energy Homes: LifeStyle Homes, Melbourne, Florida

Building America research has shown that high-performance homes can potentially give builders an edge in the marketplace and can boost sales. But it doesn't happen automatically. It requires a tailored, easy to understand marketing campaign and sometimes a little flair. This case study highlights LifeStyle Homes’ successful marketing approach for their SunSmart home package, which has helped to boost sales for the company. SunSmart marketing includes a modified logo, weekly blog, social media, traditional advertising, website, and sales staff training. Marketing focuses on quality, durability, healthy indoor air, and energy efficiency with an emphasis on the surety of third-party verification and the scientific approach to developing the SunSmart package. With the introduction of SunSmart, LifeStyle began an early recovery, nearly doubling sales in 2010; SunSmart sales now exceed 300 homes, including more than 20 zero energy homes. Completed homes in 2014 far outpaced the national (19%) and southern census region (27%) recovery rates for the same period. As technology improves and evolves, this builder will continue to collaborate with Building America.

Advertising↗

Funding for the 2ND IAEA technical meeting on fusion data processing, validation and analysis

The International Atomic Energy Agency (IAEA) will organize the second Technical Meeting on Fusion Da Processing, Validation and Analysis from 30 May to 02 June, 2017, in Cambridge, MA USA. The meeting w be hosted by the MIT Plasma Science and Fusion Center (PSFC). The objective of the meeting is to provide a platform where a set of topics relevant to fusion data processing, validation and analysis are discussed with the view of extrapolation needs to next step fusion devices such as ITER. The validation and analysis of experimental data obtained from diagnostics used to characterize fusion plasmas are crucial for a knowledge based understanding of the physical processes governing the dynamics of these plasmas. The meeting will aim at fostering, in particular, discussions of research and development results that set out or underline trends observed in the current major fusion confinement devices. General information on the IAEA, including its mission and organization, can be found at the IAEA websit Uncertainty quantification (UQ) Model selection, validation, and verification (V&V) Probability theory and statistical analysis Inverse problems & equilibrium reconstru ction Integrated data analysis Real time data analysis Machine learning Signal/image proc essing & pattern recognition Experimental design and synthetic diagnostics Data management

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

45Q Carbon Oxide Utilization LCA Training Workshop: Toolkit Overview

This training workshop was offered to inform stakeholders and LCA professionals of the tools and resources available from the Department of Energy’s National Energy Technology Laboratory (NETL) to support the development of an LCA that is compliant with the 45Q requirements. This presentation provides a descriptive overview which preceded a demonstration of the new and existing tools, available to view on the USEA website. A description and recording on USEA website here: https://usea.org/event/doenetl-45q-carbon-oxide-conversion-lca-training-workshop-hybrid.

Krynock, Michelle↗

The Weak Form Is Stronger Than You Think

The weak form is a ubiquitous, well-studied, and widely-utilized mathematical tool in modern computational and applied mathematics. In this work we provide a survey of both the history and recent developments for several fields in which the weak form can play a critical role. In particular, we highlight several recent advances in weak form versions of equation learning, parameter estimation, and coarse graining, which offer surprising noise robustness, accuracy, and computational efficiency. We note that this manuscript is a companion piece to our October 2024 SIAM News article of the same name. Here we provide more detailed explanations of mathematical developments as well as a more complete list of references. Lastly, we note that the software with which to reproduce the results in this manuscript is also available on our group's GitHub website https://github.com/MathBioCU .

26A33, 35D30, 62FXX, 62JXX, 65L09, 65M32, 68Q32,↗

A public website for the automated assessment and validation of SARS-CoV-2 diagnostic PCR assays

Abstract Summary Polymerase chain reaction-based assays are the current gold standard for detecting and diagnosing SARS-CoV-2. However, as SARS-CoV-2 mutates, we need to constantly assess whether existing PCR-based assays will continue to detect all known viral strains. To enable the continuous monitoring of SARS-CoV-2 assays, we have developed a web-based assay validation algorithm that checks existing PCR-based assays against the ever-expanding genome databases for SARS-CoV-2 using both thermodynamic and edit-distance metrics. The assay-screening results are displayed as a heatmap, showing the number of mismatches between each detection and each SARS-CoV-2 genome sequence. Using a mismatch threshold to define detection failure, assay performance is summarized with the true-positive rate (recall) to simplify assay comparisons. Availability and implementation The assay evaluation website and supporting software are Open Source and freely available at https://covid19.edgebioinformatics.org/#/assayValidation, https://github.com/jgans/thermonucleotide BLAST and https://github.com/LANL-Bioinformatics/assay_validation. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

Increasing Discovery and Usability of Earth Science Satellite Data with My NASA Data

For 20 years, the My NASA Data project at NASA Langley Research Center has developed innovative approaches to increase the use of NASA’s satellite data by learners. My NASA Data offers a variety of authentic Earth Science datasets and a data visualization tool, eliminating the need for educators and/or learners to obtain specialized knowledge of GIS data formats and software to access and use authentic Earth Science data. While there is no shortage of available data, as federal government agencies such as NASA house petabytes of freely accessible Earth Science datasets, much of the data are only available for download and visualization in specialized formats and software, limiting their accessibility to educators and learners, especially those in primary and secondary school. Using the Google Earth Engine platform, the My NASA Data team has recently reinvented their data visualization tool, called the Earth System Data Explorer (ESDE). The ESDE gives users the capability to explore over 60 Earth Science satellite datasets in a multitude of formats such as maps, graphs, and data table Its new and improved user interface design was developed based on the preferences of educators, whom the My NASA Data project has over 20 years’ experience working with. Earth Science and GIS Subject Matter Experts (SMEs) structured the data in a professional and scientific manner. During Fiscal Year 2023, the My NASA Data website received over 1 million digital engagements, with over one-third being visitors to the data visualization tool. These metrics highlight the interest in a visualization tool that is simple and free to use with reliable and trusted datasets. The ESDE empowers users to readily relate and analyze NASA Earth Science data within their area of interest. The team used a user-centered design (UCD) framework to receive and incorporate feedback into the application’s design. Core requested features include the ability to create time series graphs, comparative analysis of maps, and download the data as CSV file. Responses indicate that advances in data visualization tools such as the ESDE make authentic Earth Science data more accessible. This presentation will cover how the My NASA Data project develops tools to enhance data discovery and accessibility, as well as how SME and user suggestions are incorporated.

Desiray Wilson↗

Site-Directed Research & Development Annual Report Overview FY 2020

The SDRD program’s annual report for fiscal year 2020 consists of two parts: the program overview, which contains three major sections, Program Description, Program Accomplishments, and Program Value, and individual project report summaries published electronically on the Nevada National Security Site’s website, www.nnss.gov/pages/programs/sdrd.html. Complete technical reports for concluding projects are available from the Office of Scientific and Technical Information (OSTI) or the principal investigator.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

LungMAP Portal Ecosystem: Systems-level Exploration of the Lung

An improved understanding of the human lung necessitates advanced systems models informed by an ever-increasing repertoire of molecular omics, cellular, imaging, and pathological datasets. To centralize and standardize information across broad lung research efforts we expanded the LungMAP.net website into a new gateway portal. This portal connects a broad spectrum of research networks, bulk and single-cell multi-omics data and a diverse collection of image data that span mammalian lung development, and disease. The data are standardized across species and technologies using harmonized data and metadata models that leverage recent advances including those from the Human Cell Atlas, diverse ontologies, and the LungMAP CellCards initiative. To cultivate future discoveries, we have aggregated a diverse collection of single-cell atlases for multiple species (human, rhesus, mouse), to enable consistent queries across technologies, cohorts, age, disease, and drug treatment. These atlases are provided as independent and integrated queryable datasets, with an emphasis on dynamic visualization, figure generation, re-analysis, cell-type curation, and automated reference-based classification of user-provided single-cell genomics datasets (Azimuth). Finally, as this resource grows, we intend to increase the breadth of available interactive interfaces, supported data types, data portals and datasets from LungMAP and external research efforts.

59 BASIC BIOLOGICAL SCIENCES↗