SEARCH · Engineering Papers

Results for “LIBRARIES”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14

All sources NASA NTRS DOE OSTI

DOE OSTI2021

Neutralizing Antibodies to SARS-CoV-2 Selected from a Human Antibody Library Constructed Decades Ago

Combinatorial antibody libraries not only effectively reduce antibody discovery to a numbers game, but enable documentation of the history of antibody responses in an individual. The severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) pandemic has prompted a wider application of this technology to meet the public health challenge of pandemic threats in the modern era. Herein, a combinatorial human antibody library constructed 20 years before the coronavirus disease 2019 (COVID-19) pandemic is used to discover three highly potent antibodies that selectively bind SARS-CoV-2 spike protein and neutralize authentic SARS-CoV-2 virus. Compared to neutralizing antibodies from COVID-19 patients with generally low somatic hypermutation (SHM), these three antibodies contain over 13–22 SHMs, many of which are involved in specific interactions in their crystal structures with SARS-CoV-2 spike receptor binding domain. The identification of these somatically mutated antibodies in a pre-pandemic library raises intriguing questions about the origin and evolution of these antibodies with respect to their reactivity with SARS-CoV-2.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

Combinatorial Synthesis and High-Throughput Characterization of Microstructure and Phase Transformation in Ni–Ti–Cu–V Quaternary Thin-Film Library

Ni–Ti–based shape memory alloys (SMAs) have found widespread use in the last 70 years, but improving their functional stability remains a key quest for more robust and advanced applications. Named for their ability to retain their processed shape as a result of a reversible martensitic transformation, SMAs are highly sensitive to compositional variations. Alloying with ternary and quaternary elements to fine-tune the lattice parameters and the thermal hysteresis of an SMA, therefore, becomes a challenge in materials exploration. Combinatorial materials science allows streamlining of the synthesis process and data management from multiple characterization techniques. In this study, a composition spread of Ni–Ti–Cu–V thin-film library was synthesized by magnetron co-sputtering on a thermally oxidized Si wafer. Composition-dependent phase transformation temperature and microstructure were investigated and determined using high-throughput wavelength dispersive spectroscopy, synchrotron X-ray diffraction, and temperature-dependent resistance measurements. Of the 177 compositions in the materials library, 32 were observed to have shape memory effect, of which five had zero or near-zero thermal hysteresis. These compositions provide flexibility in the operating temperature regimes that they can be used in. A phase map for the quaternary system and correlations of functional properties are discussed with respect to the local microstructure and composition of the thin-film library.

42 ENGINEERING↗

DOE OSTI2017

Behavioral screening of the LOPAC{sup 1280} library in zebrafish embryos

Spontaneous activity represents an early, primitive form of motor activity within zebrafish embryos, providing a potential readout for identification of neuroactive compounds. However, despite use as an endpoint in chemical screens around the world, the predictive power and limitations of assays relying on spontaneous activity remain unclear. Using an improved high-content screening assay that increased throughput from 384 to 3072 wells per week, we screened a well-characterized library of 1280 pharmacologically active compounds (LOPAC{sup 1280}) – 612 of which target neurotransmission – to identify which targets are detected using spontaneous activity as a readout. Results from this screen revealed that (1) 8% of the LOPAC{sup 1280} library was biologically active; (2) spontaneous activity was affected by compounds spanning a broad array of targets; (3) only 4% of compounds targeting neurotransmission impacted spontaneous activity; and (4) hypoactivity was observed for 100% of hits detected, including those that exhibit opposing mechanisms of action for the same target. Therefore, while this assay was able to rapidly identify potent neuroactive chemicals, these data suggest that spontaneous activity may lack the ability to discriminate modes of action for compounds interfering with neurotransmission, an issue that may be due to systemic uptake following waterborne exposure, persistent control variation, and/or interference with non-neurotransmission-related mechanisms. - Highlights: • Assay throughput was increased from 384 to 3072 wells per week. • 8% of the LOPAC{sup 1280} library was biologically active within zebrafish embryos. • Spontaneous activity was affected by compounds spanning a broad array of targets. • Only 4% of compounds targeting neurotransmission impacted spontaneous activity. • Hypoactivity was observed for 100% of hits detected.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2022

Highly efficient libraries design for saturation mutagenesis

Abstract Saturation mutagenesis is a semi-rational approach for protein engineering where sites are saturated either entirely or partially to include amino acids of interest. We previously reported on a codon compression algorithm, where a set of minimal degenerate codons are selected according to user-defined parameters such as the target organism, type of saturation and usage levels. Here, we communicate an addition to our web tool that considers the distance between the wild-type codon and the library, depending on its purpose. These forms of restricted collections further reduce library size, lowering downstream screening efforts or, in turn, allowing more comprehensive saturation of multiple sites. The library design tool can be accessed via http://www.dynamcc.com/dynamcc_d/. Graphical Abstract

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2017

Research Library Year in Review 2016

2016 was a year of strategy, analysis and moving forward. We launched January with a strategic planning process. Building on the Lab’s Strategic Plan and Purpose Statement, we created a process that reached out to Lab leadership, scientists & engineers, and Research Library (RL) staff. An external consultant was engaged to help drive the process and to lead a fullday staff retreat. A survey was created and administered to staff, seeking feedback on priorities and direction. A parallel survey was created for stakeholders. Stakeholder questions began with the macro – from the external climate to Lab and division priorities – to the micro concerning priorities and directions for the RL. Stakeholders were personally interviewed by teams of two that included an interviewer and a scribe. These thirty-plus interviews were collated into a spreadsheet. A sociologist provided semantic analysis for the feedback, creating an impact document of the interviews. The full day retreat provided an opportunity for staff to build on their feedback as well as stakeholder feedback. A great deal of brainstorming led to categorized priorities and scenarios. The RL Compass Team, encompassing library leadership, moved the next stage of the process forward by taking retreat feedback and creating a first draft of a plan. Two more rounds of feedback with smaller staff groups as well as the Library Advisory Board led to the final plan. The core plan is included in this report.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2025

Standard Library Grid-Forming Hybrid Control Inverter-Based Resource Model Specification (REGFM_C1)

This document describes a standard library grid-forming (GFM) hybrid control inverter-based resource (IBR) model. The GFM hybrid control approach implements both a typical GFM control and a typical grid-following (GFL) control inside one single inverter simultaneously, so that it can take advantage of both methods without comprising the benefits of a typical GFM. The initial version of model specification was jointly developed by Pacific Northwest National Laboratory (PNNL), Tesla Energy, and EPRI, and it was revised multiple times later to incorporate suggestions from WECC MVS members. Tesla Energy provided main control blocks to support the development of this model specification. This standard library model is developed to help the utility industry better understand the GFM technology. The model could be used to represent equipment for long-term planning studies where vendor-specific models are not available. As equipment matures and improves, standard library models will be updated to capture the new functionalities of GFMs. It is not intended that these models will always remain representative of all future GFM technologies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2022

Comparative Phenotyping of Two Commonly Used Chlamydomonas reinhardtii Background Strains: CC-1690 (21gr) and CC-5325 (The CLiP Mutant Library Background)

The unicellular green alga Chlamydomonas reinhardtii is an excellent model organism to investigate many essential cellular processes in photosynthetic eukaryotes. Two commonly used background strains of Chlamydomonas are CC-1690 and CC-5325. CC-1690, also called 21gr, has been used for the Chlamydomonas genome project and several transcriptome analyses. CC-5325 is the background strain for the Chlamydomonas Library Project (CLiP). Photosynthetic performance in CC-5325 has not been evaluated in comparison with CC-1690. Additionally, CC-5325 is often considered to be cell-wall deficient, although detailed analysis is missing. The circadian rhythms in CC-5325 are also unclear. To fill these knowledge gaps and facilitate the use of the CLiP mutant library for various screens, we performed phenotypic comparisons between CC-1690 and CC-5325. Our results showed that CC-5325 grew faster heterotrophically in dark and equally well in mixotrophic liquid medium as compared to CC-1690. CC-5325 had lower photosynthetic efficiency and was more heat-sensitive than CC-1690. Furthermore, CC-5325 had an intact cell wall which had comparable integrity to that in CC-1690 but appeared to have reduced thickness. Additionally, CC-5325 could perform phototaxis, but could not maintain a sustained circadian rhythm of phototaxis as CC1690 did. Finally, in comparison to CC-1690, CC-5325 had longer cilia in the medium with acetate but slower swimming speed in the medium without nitrogen and acetate. Our results will be useful for researchers in the Chlamydomonas community to choose suitable background strains for mutant analysis and employ the CLiP mutant library for genome-wide mutant screens under appropriate conditions, especially in the areas of photosynthesis, thermotolerance, cell wall, and circadian rhythms.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2009

Scientific Digital Libraries, Interoperability, and Ontologies

Scientific digital libraries serve complex and evolving research communities. Justifications for the development of scientific digital libraries include the desire to preserve science data and the promises of information interconnectedness, correlative science, and system interoperability. Shared ontologies are fundamental to fulfilling these promises. We present a tool framework, some informal principles, and several case studies where shared ontologies are used to guide the implementation of scientific digital libraries. The tool framework, based on an ontology modeling tool, was configured to develop, manage, and keep shared ontologies relevant within changing domains and to promote the interoperability, interconnectedness, and correlation desired by scientists.

Information Model↗

DOE OSTI2015

Tips and Tricks of Incorporating Industry Standards into a Library Collection

Professional literature on the incorporation of industry standards into a library collection is somewhat limited. The objective of this presentation is to discuss the intricate details of acquiring, managing, and delivering electronic industry standards to library patrons in a seamless manner. Lessons learned regarding vendor selection and license agreements will also be discussed. Results from a survey administer at the National Renewable Energy Laboratory will be used to analyze how collection policies can properly be developed to incorporate industry standards into a library setting. The key points of acquisition decisions, avoidance of liability issues, and cost will be addressed.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2015

RADIOLOGICAL SEALED SOURCE LIBRARY: A NUCLEAR FORENSICS TOOL

If a terrorist were to obtain and possibly detonate a device that contained radiological material, radiological forensic analysis of the material and source capsule could provide law enforcement with valuable clues about the origin of the radiological material; this information could then provide further leads on where the material and sealed source was obtained, and the loss of control point. This information could potentially be utilized for attribution and prosecution. Analyses of nuclear forensic signatures for radiological materials are generally understood to include isotopic ratios, trace element concentrations, the time since irradiation or purification, and morphology. Radiological forensic signatures for sealed sources provide additional information that leverages information on the physical design and chemical composition of the source capsule and containers, physical markings indicative of an owner or manufacturer. Argonne National Laboratory (Argonne), in collaboration with Idaho National Laboratory (INL), has been working since 2003 to understand signatures that could be used to identify specific source manufacturers. These signatures include the materials from which the capsule is constructed, dimensions, weld details, elemental composition, and isotopic abundances of the radioactive material. These signatures have been compiled in a library known as the Argonne/INL Radiological Sealed Source Library. Data collected for the library has included open-source information from vendor catalogs and web pages; discussions with source manufacturers and touring of production facilities (both protected through non-disclosure agreements); technical publications; and government registries such as the U.S. Nuclear Regulatory Commission’s Sealed Source and Device Registry.

National Nuclear Forensics Library↗

DOE OSTI2016

Characterized Variability of Biomass Feedstocks using The Idaho National Lab Bioenergy Feedstock Library

In order to achieve the Bioenergy Technology Office Goals of acquiring a billion tons of feedstock material that meets the physical, chemical, and cost requirements for conversion to fuel by 2030, research into understanding the overall causes of compositional, physical and conversion variability for the wide number of available biomass feedstock resources is necessary. One strategy for accomplishing this is the innovative knowledge-based management system currently being developed and maintained at Idaho National Laboratory (INL) known as the Bioenergy Feedstock Library (www.bioenergylibrary.inl.gov). The library currently has harvest, storage and logistic, analytical characterization, and/or conversion data for over 35,000 samples spanning 90 different feedstock types, 38 states, and 3 countries. These samples and data have been provided not only by the INL but from over 100 collaborating universities, feedstock supplier, national labs, and industrial partners. Of the 35,000 samples, 2300 have been characterized by one or more analytical processes including the compositional, proximate, ultimate, elemental ash, physical and conversion analyses. This presentation will demonstrate the significant research into the national understanding of biomass feedstock variability made possible by the continually updated contributions to the library that have historically only been available in the few published review papers regarding feedstock variability. Also, the benefits of contributing to this database, the analytical tools available, and the future prospects that this tool can provide research supporting sustainable and renewable energy will be presented.

09 BIOMASS FUELS↗

DOE OSTI2017

Practical Considerations for the Implementation of a World Information Library (WIL) - 17112

The U.S. Department of Energy's (DOE) Waste Isolation Pilot Plant (WIPP) is a deep geologic repository for the permanent disposal of defense-generated transuranic waste. Title 40 Code of Federal Regulations (CFR) Part 194.43, Passive institutional controls, requires that measures be employed, '...to preserve knowledge about the location, design, and contents of the [WIPP] disposal system'. These measures include the, 'Placement of records in the archives and land record systems of local, State, and Federal governments, as well as international archives, that would likely be consulted by individuals in search of unexploited resources'. One possibility for allowing individuals to quickly and easily access information on the location, design, and contents of a disposal system and its relation to unexploited resources is the development of an electronic geographic information system (GIS) that would be used to interpret spatial data. In 2016, R. Patterson proposed such a system, known as the 'World Information Library (WIL)'. Information in this database system would be designed to be publicly accessible through a simple web-based user interface that would focus on spatial databases with categories such as; waste repositories, resources, historical sites, wildlife, infrastructure, medicine, agriculture, and technology. The conceptual WIL would be a compilation of searchable libraries and databases. A category in the WIL would consist of spatial databases created for the purpose of preserving knowledge and providing a means of communicating location information in a GIS-based Land Use Information System (LUIS) user interface. The successful implementation of the WIL would require the robust use of project controls, an effective Quality Assurance program, and the development of international standards in collaboration with industry experts. The purpose of this paper is to identify and discuss known practices and industry standards that could be utilized for the implementation of a WIL as was introduced by Patterson et al. in 'A Conceptual World Information Library (WIL) and Land Use Information System (LUIS)'. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

A Data Library of Liquid Clouds Modelled With a Large Eddy Simulation Framework

We describe a library of atmospheric large eddy simulations (LES) of liquid-phase boundary layer clouds constructed to enable aerosol–cloud–turbulence interaction studies, support parameterization evaluation and development, and provide training data for machine learning applications. The simulations use a modern LES framework designed for high numerical accuracy, coupled to a detailed spectral bin microphysical scheme. Case studies are configured to represent observed conditions in four key global cloud regions—the Northeastern Atlantic, Northeastern Pacific, Continental United States and Southern Ocean—following a semi-idealised approach. The library also includes aerosol concentration halving and doubling experiments to expose the sensitivities of the case studies to aerosol perturbations. Simulation results are compared to observations on a case-by-case basis, then the library's coverage is evaluated in terms of spreads in meteorological factors and atmospheric boundary layer attributes.

aerosol↗

DOE OSTI2018

Assessing the reliability of the NIST library during routine GC-MS analyses: Structure and spectral data corroboration for 5,5-diphenyl-1,3-dioxolan-4-one during a recent OPCW proficiency test

In the field of analytical chemistry, it is the nature of the available instrumentation that makes a specific technique uniquely suited for answering a specific challenge. Often times, instruments equipped with ultrasensitive array of detectors and state-of-the-art separation components have served to highlight their invaluable role in the field. Nonetheless, it is their ultimate ability to predict the structure of an unknown material on the basis of mass spectral data that exponentially magnifies their value. Their efficacy in achieving this prediction is largely based on the size of their internal mass spectral library that conveniently can be accessed by using the software. The library can thus exhaustively correlate an unknown compound's mass spectrum to known compounds in a database and provide the analytical chemist with a probable structure for the unknown analyte. During routine analysis, it is customary that after the appropriate collection of the compound's mass spectrum, the next step involves its comparison with a compound in the instrument's National Institute of Standards and Technology (NIST) library.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

The malaria parasite RhopH protein complex interacts with erythrocyte calmyrin identified from a comprehensive erythrocyte protein library

Highlights: • WGCFS generated protein libraries are useful in identification of host receptors. • Mouse calmyrin is PyRhopH complex RBC receptor in rodent malaria model, P. yoelii. • WGCFS and AlphaScreen technology are invaluable to post-genome malaria research. Malaria merozoite apical organelles; microneme and rhoptry secreted proteins play functional roles during and following invasion of host erythrocytes. Among numerous proteins, the rhoptries discharge high molecular weight proteins known as RhopH complex. Recent reports suggest that the RhopH complex is essential for growth and survival of the malaria parasite within erythrocytes. However, an in-depth understanding of the host-parasite molecular interactions is indispensable. Here we utilized a comprehensive mouse erythrocyte protein library consisting of 443 proteins produced by a wheat germ cell-free system, combined with AlphaScreen technology to identify mouse erythrocyte calmyrin as an interacting molecule of the rodent malaria parasite Plasmodium yoelii RhopH complex (PyRhopH). The PyRhopH interaction was dependent on the calmyrin N-terminus and divalent cation capacity. The finding unveils a recommendable and invaluable usefulness of our comprehensive mouse erythrocyte protein library together with the AlphaScreen technology in investigating a wide-range of host-parasite molecular interactions.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

C3MechLite: An integrated component library of compact kinetic mechanisms for low-carbon, carbon neutral and zero-carbon fuels

Based on our latest detailed chemical reaction mechanism, C3MechV4.0, we have developed two reduced reaction mechanisms—C3MechLite and C3MechCore—targeting C 0 –C 3 chemical species including NH 3 . C3MechLite (61 species), contains a number of species comparable to GRI-Mech (53 species), that can accurately predict the combustion characteristics of hydrogen, carbon monoxide, ammonia, methane, natural gas, nitrogen oxides, and their mixtures for a wide range of conditions. C3MechCore (118 species) targets a more comprehensive range of C 0 –C 3 fuels, including ammonia, methanol, ethanol, and dimethyl ether. Both mechanisms demonstrate predictive accuracy comparable to C3MechV4.0 for the combustion characteristics of the target fuels. C3MechLite is designed with a component library structure, enabling further reduction in mechanism size depending on the fuel(s) of interest for 2D/3D numerical simulations. Various combinations of component libraries were validated, and the average prediction error remains within 1 % compared to C3MechLite. Furthermore, the mechanism was applied to 3D LES simulations of H 2 lifted flames and was confirmed to reproduce flame characteristics with high accuracy. C3MechLite and its component library structure enable high-fidelity and computationally efficient chemical kinetic mechanisms, paving the way for application in more complex combustion simulations.

Ammonia↗

DOE OSTI2023

PotLib 2023: New version of a potential energy surface library for chemical systems

POTLIB is a library of global and semiglobal potential energy surface subprograms. The library currently features 410 entries, including both single-state entries and multi-state entries. When one calls the routine of a single-state entry, it returns the ground-electronic-state adiabatic potential energy surface at the input geometry. In addition, some entries also return the gradient of the surface. Further, when one calls a multi-state entry, it returns a diabatic potential energy matrix (DPEM). If the entry also has the gradient of the DPEM, one can compute adiabatic surfaces, their gradients, and the nonadiabatic coupling vectors (NACs) from the DPEM and its gradient by diagonalization. Some but not all the routines conform to one of a set of standard interfaces. The goal is to facilitate chemical dynamics research by collecting and disseminating a comprehensive collection of state-of-the-art potential energy routines (developed by a wide, international group of researchers) with systematic and well-defined interfaces for use with chemical dynamics programs. Systems in the library include CHArO 2 , CHN 2 O + , CH 2 O, CH 2 O 2 , CH 3 N 2 , CH 3 O, CH 4 , CH 4 Br, CH 4 Cl, CH 4 F, CH 4 O, CH 4 OCl, CH 4 OF, CH 4 OH, CH 5 , CH$^{+}_{5}$, CH 5 N, CH 5 O 2 , CH 8 O 2 , C 2 H 2 N 2 O, C 2 H 2 O, C 2 H 4 N, C 2 H 4 O 4 , C 2 H 6 Cl, C 2 H 6 F, C 2 H 6 H, C 2 H 6 O, C 2 H 6 OH, C 2 H 7 , C 2 O 2 , C 3 H 4 O 2 , C 3 H 7 NO, C 6 H 6 O, C 6 H 6 S, C 7 H8S, HBrCl, HCl 2 , HF 2 , HI 2 , HLiF, HNaF, HO 2 , HO 3 , HOBr, HSiO, H 2 Br, H 2 ClO, H 2 F, H 2 F 2 , H 2 FO, H 2 Na, H 2 O, H 2 O 2 , H 2 OBr, H 3 , H 3 Cl, H 3 ClN, H 3 ClO, H 3 N, H 3 O, H 3 O 2 , H$^{+}_{3}$, H 3 S, H 4 ClSi, H 4 N, H 4 NO, H 4 O 2 , H 5 GeO, H 5 Si, H$^{+}_{7}$, Al m H n , Al n , Ar N O, K 2 Rb 2 , NO 2 , N 2 O, N 2 O 2 , N 3 , N 4 , O 3 , and O 4 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Identifying Receptor Kinase Substrates Using an 8000 Peptide Kinase Client Library Enriched for Conserved Phosphorylation Sites

In eukaryotic organisms, protein kinases regulate diverse protein activities and signaling pathways through phosphorylation of specific protein substrates. Isolating and characterizing kinase substrates is vital for defining downstream signaling pathways. The kinase-client (KiC) assay is an in vitro synthetic peptide LC-MS/MS phosphorylation assay that has enabled identification of protein substrates (i.e., clients) for various protein kinases. For example, previous use of a 2100-member (2k) peptide library identified substrates for the extracellular ATP receptor-like kinase, P2K1. Many P2K1 clients were confirmed by additional in vitro and in planta studies, including integrin-linked kinase 4, for which we provide the evidence herein. In addition, we developed a new KiC peptide library containing 8000 (8k) peptides based on phosphorylation sites primarily from Arabidopsis thaliana datasets. The 8k peptides are enriched for sites with conservation in other angiosperm plants, with the paired goals of representing functionally conserved sites and usefulness for screening kinases from diverse plants. Screening the 8k library with the active P2K1 kinase domain identified 177 phosphopeptides, including calcineurin B–like protein and G protein alpha subunit 1, which functions in cellular calcium signaling. We confirmed that P2K1 directly phosphorylates calcineurin B–like protein and G protein alpha subunit 1 through in vitro kinase assays. This expanded 8k KiC assay will be a useful tool for identifying novel substrates across diverse plant protein kinases, ultimately facilitating the exploration of previously undiscovered signaling pathways.

59 BASIC BIOLOGICAL SCIENCES↗