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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.
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Protein-DNA Interaction Workflow (PDI Workflow), a pipeline that focuses on generating high-quality docking and molecular dynamics simulations for Protein-DNA complexes. This allows us to take DNA sequences with unknown tertiary structures, accurately predict their structure, dock them with the desired target protein, and then simulate their interactions using molecular dynamics simulations
On May 2, 2019, a release of Cs-137 from a breached sealed source containing 2,800 curies (Ci) (1E14 Bq) of Cesium-137 (Cs-137) occurred at the University of Washington (UW) Harborview Research and Training Building (HRB). The release occurred during removal of the source from its holder within a portable hot cell in the second floor loading dock area. The loading dock and northeast corner of the building above the ground floor were heavily impacted by the release, while the remaining portions of the building and the exterior of the building were minimally impacted.
Many ports and waterfronts are evaluating alternative electrification efforts, including electrification of passenger and vehicle ferries. In Seattle, the Washington State Department of Transportation, in conjunction with Seattle City Light (the local utility) and the Port of Seattle, are working to deploy a hybrid electric ferry and provide charging at Seattle’s Colman dock. As part of this ferry electrification effort, Seattle City Light is considering including a large battery energy storage system (BESS) to help “buffer” the ferry charging. The “buffer” provides energy arbitrage and spreads out the large amount of power needed to recharge the ferry to times when the ferry is out of the dock – rather than one very large peak for 15 minutes, the battery storage allows it to be a smaller power value over a longer duration. This initial BESS concept served as the jumping off point to explore an expanded microgrid concept via a notional test system that incorporates additional distributed energy resources (DER) and infrastructure upgrades to the local distribution infrastructure at the Seattle Waterfront and neighboring Port of Seattle properties. This case study examined the potential for secondary use of the BESS within a networked microgrid during the scenario of a large-scale power outage, such as a natural disaster.
Biomineralization is the process by which organisms use biomolecules to produce hierarchically structured organic-inorganic composites. Using biology as inspiration, a protein construct (FD31) was previously designed to accelerate formation of nano-calcite with an unconventional {110} face. To understand the molecular interactions essential for protein aided calcite nucleation, solid-state nuclear magnetic resonance (ssNMR) spectroscopy was used in this work to characterize the FD31-calcite interface at the atomic level. Glutamic acid side chains designed to interact directly with calcium ions on the surface were found to have dynamics on the sub-millisecond timescale, indicating possible interactions between the protein and surface waters that were not included in the original model. Dipolar ssNMR recoupling techniques also showed that the protein backbone is ~2 Å closer to the surface than in the original docking model. Refined molecular simulations were done in the presence of explicit waters, which resulted in the protein backbone closer to the surface than in the original docking structure, providing better agreement with experiment and highlighting the important role played by water in FD31-calcite interactions. These studies provide the first experimental evidence to confirm that FD31 interactions with calcite are localized to the surface of the protein designed to serve as a template. However, these studies do indicate a more dynamic binding and closer binding mode between FD31 and the nucleated surface than originally proposed. In all, this enhanced molecular insight into the FD31-calcite interface has advanced our fundamental understanding of the atomic interactions at the organic-inorganic interface and will aid in the design of biological templates for the nucleation of inorganic crystals.
Autonomous platforms already make observations over a wide range of temporal and spatial scales, measuring salinity, temperature, nitrate, pressure, oxygen, biomass; and many other parameters. However, the observations are not comprehensive. Future autonomous systems need to be more affordable, more modular, more capable and easier to operate. Creative new types of platforms and new compact, low power, calibrated and stable sensors are under development to expand autonomous observations. Communications and recharging need bandwidth and power which can be supplied by standardized docking stations. In situ power generation will also extend endurance for many types of autonomous platforms, particularly autonomous surface vehicles. Standardized communications will improve ease of use, interoperability, and enable coordinated behaviors. Improved autonomy and communications will enable adaptive networks of autonomous platforms. Improvements in autonomy will have three aspects: hardware, control, and operations. As sensors and platforms have more onboard processing capability and energy capacity, more measurements become possible. Control systems and software will have the capability to address more complex states and sophisticated reactions to sensor inputs, which allows the platform to handle a wider variety of circumstances without direct operator control. Operational autonomy is increased by reducing operating costs. To maximize the potential of autonomous observations new standards and best practices are needed. In some applications, focus on common platforms and volume purchases could lead to significant cost reductions. Cost reductions could enable order-of-magnitude increases in platform operations and increase sampling resolution for a given level of investment. Energy harvesting technologies should be integral to the system design, for sensors, platforms, vehicles, and docking stations. Connections are needed between the marine energy and ocean observing communities to coordinate among funding sources, researchers, and end users. Regional teams should work with global organizations such as IOC/GOOS in governance development. International networks such as EGO for the emerging glider operations should also provide a forum for addressing governance. Networks of multiple vehicles can improve operational efficiencies and transform operational patterns. There is a need to develop operational architectures at regional and global scales to provide a backbone for active networking of autonomous platforms.
Superoxide dismutase 1 (SOD1) is a crucial enzyme that protects cells from oxidative damage by converting superoxide radicals into H 2 O 2 and O 2 . This detoxification process, essential for cellular homeostasis, relies on a precisely orchestrated catalytic mechanism involving the copper cation, while the zinc cation contributes to the structural integrity of the enzyme. This study presents the 2.3 Å crystal structure of human SOD1 (PDB ID: 9IYK), revealing an assembly of six homodimers and twelve distinct active sites. The water molecules form a complex hydrogen-bonding network that drives proton transfer and sustains active site dynamics. Our structure also uncovers subtle conformational changes that highlight the intrinsic flexibility of SOD1, which is essential for its function. Additionally, we observe how these dynamic structural features may be linked to pathological mutations associated with amyotrophic lateral sclerosis (ALS). By advancing our understanding of hSOD1’s mechanistic intricacies and the influence of water coordination, this study offers valuable insights for developing therapeutic strategies targeting ALS. Our structure’s unique conformations and active site interactions illuminate new facets of hSOD1 function, underscoring the critical role of structural dynamics in enzyme catalysis. Moreover, we conducted a molecular docking analysis using SOD1 for potential radical scavengers and Abelson non-receptor tyrosine kinase (c-Abl, Abl1) inhibitors targeting misfolded SOD1 aggregation along with oxidative stress and apoptosis, respectively. The results showed that CHEMBL1075867, a free radical scavenger derivative, showed the most promising docking results and interactions at the binding site of hSOD1, highlighting its promising role for further studies against SOD1-mediated ALS.
Tumor necrosis factor receptor-associated factors (TRAFs) are a protein family with a wide variety of roles and binding partners. Among them, TRAF6, a ubiquitin ligase, possesses unique receptor binding specificity and shows diverse functions in immune system regulation, cellular signaling, central nervous system, and tumor formation. TRAF6 consists of an N-terminal Really Interesting New Gene (RING) domain, multiple zinc fingers, and a C-terminal TRAF domain. TRAF6 is an important therapeutic target for various disorders and structural studies of this protein are crucial for the development of next-generation therapeutics. Here, we presented a TRAF6 N-terminal structure determined at the Turkish light source “Turkish DeLight” to be 3.2 Å resolution at cryogenic temperature (PDB ID: 8HZ2). This structure offers insight into the domain organization and zinc-binding, which are critical for protein function. Since the RING domain and the zinc fingers are key targets for TRAF6 therapeutics, structural insights are crucial for future research. Separately, we rationally designed numerous new compounds and performed molecular docking studies using this template (PDB ID:8HZ2). According to the results, 10 new compounds formed key interactions with essential residues and zinc ion in the N-terminal region of TRAF6. Molecular dynamic (MD) simulations were performed for 300 ns to evaluate the stability of three docked complexes (compounds 256, 322, and 489). Compounds 256 and 489 was found to possess favorable bindings with TRAF6. These new compounds also showed moderate to good pharmacokinetic profiles, making them potential future drug candidates as TRAF6 inhibitors.
Docking and fuel transfer system provides an efficient method for transferring fuel from a tanker to another vehicle. With this system, no triggering operation is required prior to docking, the support system can be rigidized by simply locking the rams of shock absorbers, and no separate fuel line coupling action is required.
The Gemini Program was conceived to provide a space system that could furnish answers to many of the problems in operating manned vehicles in space. It was designed to build upon the experience gained from Project Mercury, and to extend and expand this fund of experience in support of the manned lunar landing program and other future manned space-flight programs. The purpose of this paper is to relate some of the results of the Gemini Program to the Apollo Program, and to discuss some of the contributions which have been made. The objectives of the Gemini Program applicable to Apollo are : (1) long-duration flight, (2) rendezvous and docking, (3) post-docking maneuver capability, (4) controlled reentry and landing, (5) flight- and groundcrew proficiency, and (6) extra vehicular capability. The achievement of these objectives has provided operational experience and confirmed much of the technology which will be utilized in future manned programs. These contributions will be discussed in three major areas : launch and flight operations, flight-crew operations and training, and technological development of subsystems and components. While there is obvious interrelation among the three elements, the grouping affords emphasis and order to the discussion.
The structures and mechanical subsystem of a space station are considered. The subsystem includes basic structure (pressurization, equipment support, meteoroid protection, radiators, insulation, and docking interfaces), the docking mechanisms, spacecraft access (hatches, airlocks, and view ports), and antenna deployment mechanisms. Checkout is discussed in terms of reliability, failure analysis, and maintenance.
Revised specifications are presented of the equations necessary to perform the guidance, navigation, and control onboard computation functions for the space shuttle orbiter vehicle. The orbital operations covered include: (1) orbital coast, (2) orbital powered flight, (3) rendezvous mission phase, (4) station keeping mission phase, (5) docking and undocking, and (6) docked operations.
Discussion of the spectrum of remedial concepts and realistic mission constraints. A vehicle design is presented which is offered as the 'best' solution among a number of alternative designs in terms of its cost effectiveness. The probability of the safe reentry and recovery of one to three stranded astronauts is 0.80. The vehicle is symmetrical and lenticular in shape, and exhibits a modest lift-to-drag ratio of 0.5, allowing it to reenter a two-skip trajectory with minimal gravity forces on the astronauts. Attitude control, voice and beacon communication, and impact attenuation are also provided. The vehicle could be delivered in a docked position on the Apollo Applications Program multiple docking adapter.
Consideration of the problems involved in the maneuvers executed by the Apollo Command and Service Module in docking with the Soyuz spacecraft. A detailed description is given of the Docking Module, which will serve as a kind of adaptor between the American and Soviet systems. Particular stress is placed on problems connected with the difference in atmosphere of the two vehicles and on the possibility of reducing this difference to the point where prebreathing of pure oxygen is not required when going from the Soviet vehicle with its air atmosphere to the American vehicle with its pure oxygen atmosphere. Also considered are problems connected with the use of different latching systems - an electromechanical attenuation system in the Soviet vehicle, and a hydraulic system in the Apollo Module.
In the operation of future manned space vehicles, there will always be a finite probability that an accident will occur which results in uncontrolled tumbling of a craft. Hard docking by a manned rescue vehicle is not acceptable because of the hazardous environment to which rescue crewmen would be exposed and excessive maneuvering accelerations during docking operations. A movable-mass control concept, which is activated upon initiation of tumbling and is autonomous, can convert tumbling motion into simple spin. The complete equations of motion for an asymmetric rigid spacecraft containing a movable mass are presented, and appropriate control law and system parameters are selected to minimize kinetic energy, resulting in simple spin about the major principal axis. Simulations indicate that for a large space station experiencing a collision, which results in tumbling, a 1% movable mass is capable of stabilizing motion in 2 hr.
The mission plan of the docking of a United States Apollo and a Soviet Union Soyuz spacecraft in Earth orbit to test compatible rendezvous and docking equipment and procedures is presented. Space experiments conducted jointly by the astronauts and cosmonauts during the joint phase of the mission as well as experiments performed solely by the U.S. astronauts and spread over the nine day span of the flight are included. Biographies of the astronauts and cosmonauts are given.
Operating principles, system functions, and technological problems associated with developing compatible spacecraft, station approach, and docking facilities between the U.S. and the U.S.S.R. are reported. Two designs, the probe cone and the androgynous docking device are examined.
In May 1972, President Nixon and Chairman Kosygin signed an agreement which included the approval of the Apollo/Soyuz Test Project. The primary technical objective of the program is to test the requirements and solutions for the compatibility of systems for docking future manned spacecraft of the U.S. and the USSR. The program includes the flight test of a compatible rendezvous system and of a compatible docking system. Details concerning the equipment to be used are discussed along with the operational schedule. Attention is also given to a number of experiments which are to be conducted in space.
The Apollo-Soyuz Test Program (ASTP) is scheduled for flight in July 1975. This paper will describe briefly the mission planning and hardware associated with the program. Of interest are modifications to the basic Apollo and Soyuz vehicles as well as the newly developed docking module and docking system. Joint aspects of the mission profile are explained. Science objectives and corresponding experiments are described. Utilization of the ATS-6 Satellite for relay of TV, voice, and data to the ground is also a topic. The paper concludes with a discussion of the joint flight control interface.