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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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At least 649 records · Page 36

Bacterial microcompartments as metabolic modules for plant synthetic biology

Summary Bacterial microcompartments ( BMC s) are megadalton‐sized protein assemblies that enclose segments of metabolic pathways within cells. They increase the catalytic efficiency of the encapsulated enzymes while sequestering volatile or toxic intermediates from the bulk cytosol. The first BMC s discovered were the carboxysomes of cyanobacteria. Carboxysomes compartmentalize the enzyme ribulose‐1,5‐bisphosphate carboxylase/oxygenase (RuBis CO ) with carbonic anhydrase. They enhance the carboxylase activity of RuBis CO by increasing the local concentration of CO 2 in the vicinity of the enzyme's active site. As a metabolic module for carbon fixation, carboxysomes could be transferred to eukaryotic organisms (e.g. plants) to increase photosynthetic efficiency. Within the scope of synthetic biology, carboxysomes and other BMC s hold even greater potential when considered a source of building blocks for the development of nanoreactors or three‐dimensional scaffolds to increase the efficiency of either native or heterologously expressed enzymes. The carboxysome serves as an ideal model system for testing approaches to engineering BMC s because their expression in cyanobacteria provides a sensitive screen for form (appearance of polyhedral bodies) and function (ability to grow on air). We recount recent progress in the re‐engineering of the carboxysome shell and core to offer a conceptual framework for the development of BMC ‐based architectures for applications in plant synthetic biology.

Gonzalez‐Esquer, C. Raul↗

Tuning the Lifetimes of Photoinduced Deligation in a Metal–Organic Framework via Linker Functionalization

Recently photoinduced dynamic ligation in a metal–organic frameworks (MOFs) was reported, where a long-lived charge-transfer excited state (ca. 30 μs) featuring partial dissociation between the carboxylate linker and metal-based node was probed by time-resolved infrared (TRIR) spectroscopy. The study offers a new mechanistic perspective to evaluate the potential contribution from the excited state molecular configuration to the performance of MOF photocatalysts. In this work, by employing MIL-101(Fe) as the study platform, we have further explored the influence of intramolecular interactions on the stability of relevant excited states and demonstrated the effective tuning of their lifetimes through the incorporation of different functional groups into the system. The correlations between the varied excited state lifetimes and coordination configurations with specific functional groups (−NH 2 or −NO 2 ) was inferred from the analyses of infrared spectroscopic data and theoretical calculations, revealing the essential role of the intramolecular interactions (i.e., between the added functional groups and the carboxylate group) in the modulation of system energetics. Overall, the work presents a pathway to tune the excited state dynamics and expands the knowledge regarding the photoinduced dynamic ligation in carboxylate-based MOFs.

excited states↗

Manipulating symmetry-breaking charge separation employing molecular recognition

The exploration of symmetry-breaking charge separation (SB-CS) is imperative when designing functional light-harvesting materials. Past explorations, however, have been confined to covalent systems, more often than not requiring complicated/demanding syntheses and facing inconvenient regulation of charge transfer processes. Here, in this work, we present a concept that regulates the efficiency of SB-CS through molecular recognition utilizing a pyridinium-based cyclophane as a host. This host undergoes photo-driven excited-state SB-CS. By employing different guests with distinct frontier molecular orbital energy levels, we have achieved comprehensive control of electron transfer pathways in the cyclophane, modulating between accelerated (>10-fold) intramolecular SB-CS involving superexchange and direct intermolecular electron transfer between the host and guest. The improvement in SB-CS efficiency results in catalytic activity for the photo-oxidation of a sulfur-mustard simulant. This research offers an opportunity for tuning SB-CS by utilizing molecular recognition, which holds the potential for achieving precise regulation without complicated organic syntheses.

charge transfer↗

Command decoder unit

The design and testing of laboratory hardware (a command decoder unit) used in evaluating space shuttle instrumentation, data processing, and ground check-out operations is described. The hardware was a modification of another similar instrumentation system. A data bus coupler was designed and tested to interface the equipment to a central bus controller (computer). A serial digital data transfer mechanism was also designed. Redundant power supplies and overhead modules were provided to minimize the probability of a single component failure causing a catastrophic failure. The command decoder unit is packaged in a modular configuration to allow maximum user flexibility in configuring a system. Test procedures and special test equipment for use in testing the hardware are described. Results indicate that the unit will allow NASA to evaluate future software systems for use in space shuttles. The units were delivered to NASA and appear to be adequately performing their intended function. Engineering sketches and photographs of the command decoder unit are included.

Source record↗

Unsteady Surface Pressure Characterization on Launch Vehicle in Liftoff Configuration

Acquisition of unsteady pressure using remote scanners can provide practical advantages over making the same measurements directly using flush-mounted pressure transducers. However, pneumatic distortion of the signal is introduced by the tubing between the sensing module and surface port. This typically limits the usefulness of such measurements to averaged, steady data only, restricting the application of pressure scanners for unsteady pressure measurements in the wind tunnel and flight-testing applications. In this work, unsteady pressure on the surface of a 1.75%-scale model of the NASA Space Launch System Block 1B Cargo vehicle was remotely measured at the NASA Langley Research Center 14- by 22-Foot Subsonic Tunnel using an ESP pressure scanner. Subsequent reconstruction using an empirically-tuned, Wiener-filtered inverse transfer function produced excellent agreement compared to nearby surface-mounted transducers within a usable bandwidth of approximately 500 Hz. Interactions between the launch vehicle and the support tower produced strong oscillations that were absent in the vehicle-alone configuration, and it is likely that the wake interaction leads to a resonant flow response when the launch tower is immediately downstream of the vehicle.

Unsteady pressure↗

Remodeling neuronal ER–PM junctions is a conserved nonconducting function of Kv2 plasma membrane ion channels

The endoplasmic reticulum (ER) and plasma membrane (PM) form junctions crucial to ion and lipid signaling and homeostasis. The Kv2.1 ion channel is localized at ER–PM junctions in brain neurons and is unique among PM proteins in its ability to remodel these specialized membrane contact sites. Here, we show that this function is conserved between Kv2.1 and Kv2.2, which differ in their biophysical properties, modulation, and cellular expression. Kv2.2 ER–PM junctions are present at sites deficient in the actin cytoskeleton, and disruption of the actin cytoskeleton affects their spatial organization. Kv2.2-containing ER–PM junctions overlap with those formed by canonical ER–PM tethers. The ability of Kv2 channels to remodel ER–PM junctions is unchanged by point mutations that eliminate their ion conduction but eliminated by point mutations within the Kv2-specific proximal restriction and clustering (PRC) domain that do not impact their ion channel function. The highly conserved PRC domain is sufficient to transfer the ER–PM junction–remodeling function to another PM protein. Last, brain neurons in Kv2 double-knockout mice have altered ER–PM junctions. Together, these findings demonstrate a conserved in vivo function for Kv2 family members in remodeling neuronal ER–PM junctions that is distinct from their canonical role as ion-conducting channels shaping neuronal excitability.

59 BASIC BIOLOGICAL SCIENCES↗

The allosteric mechanism of substrate-specific transport in SLC6 is mediated by a volumetric sensor

Neurotransmitter:sodium symporters (NSSs) in the SLC6 family terminate neurotransmission by coupling the thermodynamically favorable transport of ions to the thermodynamically unfavorable transport of neurotransmitter back into presynaptic neurons. Results from many structural, functional, and computational studies on LeuT, a bacterial NSS homolog, have provided critical insight into the mechanism of sodium-coupled transport, but the mechanism underlying substrate-specific transport rates is still not understood. We present a combination of molecular dynamics simulations, single-molecule fluorescence resonance energy transfer (smFRET) imaging, and measurements of Na + binding and substrate transport that reveals an allosteric substrate specificity mechanism. In this mechanism, residues F259 and I359 in the substrate binding pocket couple the binding of substrate to Na + release from the Na2 site by allosterically modulating the stability of a partially open, inward-facing state. We propose a model for transport selectivity in which residues F259 and I359 act as a volumetric sensor that inhibits the transport of bulky amino acids.

60 APPLIED LIFE SCIENCES↗

Extending A Correction Method for Unsteady Transonic Aerodynamics to Variable Camber Continuous Trailing Edge Flap

In this study, we have extended our correction method for transonic aerodynamics to baseline and variable camber continuous trailing edge (VCCTEF) geometries of super-critical airfoils at cruise conditions. This correction method modifies Theodorsen theory, which is based on incompressible potential flow over a flat plate. The method is partly based on CFD RANS simulations of oscillating NASA generic transport model (GTM) baseline cruise and VCCTEF airfoil geometries in pitch and shows promise for addressing transonic flutter problems of aeroelasticity. In the earlier study1, the Theodorsen functions were modulated with non-linear functions of Mach number, M, and reduced frequency, k, and thus the correction was demonstrated for the symmetrical NACA0012 airfoil. In the present study, the modulation functions are also allowed to account for the effects of camber and thickness of the airfoil. This is demonstrated by applying the correction method to various symmetric NACA00xx airfoil geometries (NACA001, NACA0002, NACA0012, NACA0015 and NACA0018), the NASA GTM super-critical baseline and VCCTEF airfoil geometries, e.g., the circular airfoil, VCCTEF222. First results indicate that the correction method accounts for a large variation of thickness of airfoils and camber. The present correction method will guide the development of a new state space model for the VCCTEF system and eventually a new transfer function that will be incorporated in a new aeroelastic framework leading to an appropriate transonic flutter model for use in the future aircraft systems in development under the NASA Advanced Air Transportation Technologies (AATT) project.

Kaul, Upender K.↗

Operations of the Optical Communications Demonstration for the Orion EM-2 Mission

The GSFC implementation of an Optical Communication System to demonstrate an operational optical communication link for Orion EM-2. It will serve as a base for providing an operational optical communications capability for future Orion missions. GSFC plans to maintain a development path for the optical communication flight terminal to allow commercialization and implementation on future Orion missions. The Orion optical module part of the optical communications flight terminal and its control electronics have a common architecture with the ILLUMA-T optical terminal provided by GSFC for use on the ISS. The plan is to flow data from Orion through the Optical Communication Fight Terminal to the Optical Communication Ground Terminal and reverse. NASA's Orion spacecraft is an exploratory vehicle designed for longer-duration flights beyond the Moon. Following Orion's Exploration Mission-1 (EM-1), during which the spacecraft will travel beyond the Moon, enter a distant retrograde orbit around the Moon and return to Earth unmanned, Exploration Mission-2 (EM-2) will see a crewed spacecraft complete a slightly different flight path. First crewed test flight of the Orion spacecraft, currently targeting a June 30, 2022 launch. The mission involves: One revolution in Low Earth Orbit (LEO) parking orbit to verify basic Orion systems functionality and deploy solar arrays. A single 42-hour Highly Elliptical Orbit (HEO) intermediate checkout orbit allows characterization of the Orion vehicle system performance prior to committing to a cis-lunar flight. Trans Lunar Injection (TLI) burn using Orion Service Module (SM) main engine, which sends Orion on a lunar flyby and free return. Skip reentry at lunar return velocities to splashdown off the coast of San Diego. Total mission duration is approximately 10 days. EM-2 is the first crewed mission of the Orion Spacecraft that crew brings more video up/downloads, file transfers, and real-time chats with family back home and high-rate communications enables live HD streaming for Crew conferences, Public Affairs Office (PAO) events, and significant mission events. Also still collecting vehicle data on numerous Orion subsystems via Development Flight Instrumentation (DFI) allows large data volume returns sooner for DFI and future science payloads, as opposed to waiting for end-of-mission. O2O is a demonstration of operational utility system tested as a Developmental Test Objective (DTO) and not required to meet mission requirements/success/ Flight Test Objectives (FTO). EM-2 architecture is as close to future mission operational architecture as possible.Orion subsystems (video, DFI, etc.) expected to generate ~250 GB of data in the first 24 hours of flight. Total data generated over the mission estimated to be more than 400 GBUsing S-Band alone, Orion limited to ~ 6GB of data downlink per day. Because of this limitation, Orion is planning to limit live video downlinks on EM-1 in order to downlink high priority fileswith 1 hour/day of Optical Communication, Orion could downlink ~6x more data per day (~ 36GB/day).The optical communication system is capable of multiple data rates up to at least 80 Mbps downlink for the transfer of Orion data to Earth while Orion is operating in the lunar vicinity.

Optical Communication↗

An Overview on the Marine Neurotoxin, Saxitoxin: Genetics, Molecular Targets, Methods of Detection and Ecological Functions

Marine neurotoxins are natural products produced by phytoplankton and select species of invertebrates and fish. These compounds interact with voltage-gated sodium, potassium and calcium channels and modulate the flux of these ions into various cell types. This review provides a summary of marine neurotoxins, including their structures, molecular targets and pharmacologies. Saxitoxin and its derivatives, collectively referred to as paralytic shellfish toxins (PSTs), are unique among neurotoxins in that they are found in both marine and freshwater environments by organisms inhabiting two kingdoms of life. Prokaryotic cyanobacteria are responsible for PST production in freshwater systems, while eukaryotic dinoflagellates are the main producers in marine waters. Bioaccumulation by filter-feeding bivalves and fish and subsequent transfer through the food web results in the potentially fatal human illnesses, paralytic shellfish poisoning and saxitoxin pufferfish poisoning. These illnesses are a result of saxitoxin’s ability to bind to the voltage-gated sodium channel, blocking the passage of nerve impulses and leading to death via respiratory paralysis. Recent advances in saxitoxin research are discussed, including the molecular biology of toxin synthesis, new protein targets, association with metal-binding motifs and methods of detection. The eco-evolutionary role(s) PSTs may serve for phytoplankton species that produce them are also discussed.

paralytic shellfish toxin↗

Physics Based Model for Cryogenic Chilldown and Loading. Part IV: Code Structure

This is the fourth report in a series of technical reports that describe separated two-phase flow model application to the cryogenic loading operation. In this report we present the structure of the code. The code consists of five major modules: (1) geometry module; (2) solver; (3) material properties; (4) correlations; and finally (5) stability control module. The two key modules - solver and correlations - are further divided into a number of submodules. Most of the physics and knowledge databases related to the properties of cryogenic two-phase flow are included into the cryogenic correlations module. The functional form of those correlations is not well established and is a subject of extensive research. Multiple parametric forms for various correlations are currently available. Some of them are included into correlations module as will be described in details in a separate technical report. Here we describe the overall structure of the code and focus on the details of the solver and stability control modules.

cryogenic fluid management↗

Reusable Rack Interface Controller Common Software for Various Science Research Racks on the International Space Station

The purpose of the EXPRESS (Expedite the PRocessing of Experiments to Space Station) rack project is to provide a set of predefined interfaces for scientific payloads which allow rapid integration into a payload rack on International Space Station (ISS). VxWorks' was selected as the operating system for the rack and payload resource controller, primarily based on the proliferation of VME (Versa Module Eurocard) products. These products provide needed flexibility for future hardware upgrades to meet everchanging science research rack configuration requirements. On the International Space Station, there are multiple science research rack configurations, including: 1) Human Research Facility (HRF); 2) EXPRESS ARIS (Active Rack Isolation System); 3) WORF (Window Observational Research Facility); and 4) HHR (Habitat Holding Rack). The RIC (Rack Interface Controller) connects payloads to the ISS bus architecture for data transfer between the payload and ground control. The RIC is a general purpose embedded computer which supports multiple communication protocols, including fiber optic communication buses, Ethernet buses, EIA-422, Mil-Std-1553 buses, SMPTE (Society Motion Picture Television Engineers)-170M video, and audio interfaces to payloads and the ISS. As a cost saving and software reliability strategy, the Boeing Payload Software Organization developed reusable common software where appropriate. These reusable modules included a set of low-level driver software interfaces to 1553B. RS232, RS422, Ethernet buses, HRDL (High Rate Data Link), video switch functionality, telemetry processing, and executive software hosted on the FUC computer. These drivers formed the basis for software development of the HRF, EXPRESS, EXPRESS ARIS, WORF, and HHR RIC executable modules. The reusable RIC common software has provided extensive benefits, including: 1) Significant reduction in development flow time; 2) Minimal rework and maintenance; 3) Improved reliability; and 4) Overall reduction in software life cycle cost. Due to the limited number of crew hours available on ISS for science research, operational efficiency is a critical customer concern. The current method of upgrading RIC software is a time consuming process; thus, an improved methodology for uploading RIC software is currently under evaluation.

Lu, George C.↗

Operation-Induced BiVO4 Surface Reconstruction Modulates Photoelectrochemical Glycerol Photooxidation Stability and Activity

Abstract Operation-induced surface reconstruction of photoelectrodes is underexplored as a path to control stability and performance. We show how adaptive junctions form via surface reconstruction of BiVO4 during glycerol photooxidation and how these surfaces affect electrolyte-dependent kinetics and durability. Preferential V dissolution in both acidic and alkaline media forms a Bi-rich layer. In situ measurements through a dual-working-electrode platform quantify the changes in photovoltage and charge-transfer resistance derived from adaptive junction formation, while enabling quantitative separation of the driving forces for charge separation and interfacial catalysis. The reconstructed surface in acidic media improves hole-transfer kinetics, functions as a glycerol-oxidation catalyst, and imparts photostability. Surface reconstruction in alkaline media exhibits the opposite behavior, impeding hole injection. This instability is mitigated by trace Ni2+ ions, which drive in situ surface activation without cocatalyst pre-deposition. This study shows the significance of surface reconstruction in the design of durable photoelectrodes for applications targeting organic electro-oxidation.

Yang, Jin Wook↗

Efficient Multidisciplinary Analysis Approach for Conceptual Design of Aircraft with Large Shape Change

The conceptual and preliminary design processes for aircraft with large shape changes are generally difficult and time-consuming, and the processes are often customized for a specific shape change concept to streamline the vehicle design effort. Accordingly, several existing reports show excellent results of assessing a particular shape change concept or perturbations of a concept. The goal of the current effort was to develop a multidisciplinary analysis tool and process that would enable an aircraft designer to assess several very different morphing concepts early in the design phase and yet obtain second-order performance results so that design decisions can be made with better confidence. The approach uses an efficient parametric model formulation that allows automatic model generation for systems undergoing radical shape changes as a function of aerodynamic parameters, geometry parameters, and shape change parameters. In contrast to other more self-contained approaches, the approach utilizes off-the-shelf analysis modules to reduce development time and to make it accessible to many users. Because the analysis is loosely coupled, discipline modules like a multibody code can be easily swapped for other modules with similar capabilities. One of the advantages of this loosely coupled system is the ability to use the medium- to high-fidelity tools early in the design stages when the information can significantly influence and improve overall vehicle design. Data transfer among the analysis modules are based on an accurate and automated general purpose data transfer tool. In general, setup time for the integrated system presented in this paper is 2-4 days for simple shape change concepts and 1-2 weeks for more mechanically complicated concepts. Some of the key elements briefly described in the paper include parametric model development, aerodynamic database generation, multibody analysis, and the required software modules as well as examples for a telescoping wing, a folding wing, and a bat-like wing. The paper also includes the verification of a medium-fidelity aerodynamic tool used for the aerodynamic database generation with a steady and unsteady high-fidelity CFD analysis tool for a folding wing example.

Chwalowski, Pawel↗

Nanoarchitectonic Semiconductor–Bio Hybrid Systems with Enhanced Charge Transfer for Hydrogen Peroxide Production

Nanoarchitectonics offers a systematic approach to creating an artificial framework by integrating different multiscale components such as semiconductor lattices and biological substances. However, most nanoarchitectonic abiotic-biotic hybrid systems have intrinsic limitations in imparting nonequilibrium biological features into semiconductor lattices at the nanoscale. Here, in this study, we report a new nanoarchitectonic system integrating bismuth oxychloride (BiOCl) nanosheets with purple membrane (PM) patches. PM is an archaeal subcellular fraction capable of unidirectionally transferring photogenerated charge carriers to its surroundings at the nanoscale independent of archaeal metabolism and retaining this dynamic functionality after isolation from living archaea. Microscopy, spectroscopy, electrochemical, and synchrotron X-ray scattering analyses verify that the nanoarchitectonic hybridization between BiOCl and PM generates a vertical heterostructure, thereby enhancing photogenerated charge-carrier dynamics and enabling the associated photocatalytic capacity. The resulting PM-BiOCl hybrid nanosheets efficiently convert dioxygen into hydrogen peroxide through a two-electron and two-proton transfer process under ambient conditions while simultaneously converting ethylene glycol into value-added chemicals. This study presents a nanoarchitectonic approach that leverages the photogenerated charge-carrier dynamics of the archaeal subcellular fractions to modulate the optoelectronic and catalytic capacity limitations of semiconductors.

catalysis↗

Integrated Aerodynamic/Structural/Dynamic Analyses of Aircraft with Large Shape Changes

The conceptual and preliminary design processes for aircraft with large shape changes are generally difficult and time-consuming, and the processes are often customized for a specific shape change concept to streamline the vehicle design effort. Accordingly, several existing reports show excellent results of assessing a particular shape change concept or perturbations of a concept. The goal of the current effort was to develop a multidisciplinary analysis tool and process that would enable an aircraft designer to assess several very different morphing concepts early in the design phase and yet obtain second-order performance results so that design decisions can be made with better confidence. The approach uses an efficient parametric model formulation that allows automatic model generation for systems undergoing radical shape changes as a function of aerodynamic parameters, geometry parameters, and shape change parameters. In contrast to other more self-contained approaches, the approach utilizes off-the-shelf analysis modules to reduce development time and to make it accessible to many users. Because the analysis is loosely coupled, discipline modules like a multibody code can be easily swapped for other modules with similar capabilities. One of the advantages of this loosely coupled system is the ability to use the medium-to high-fidelity tools early in the design stages when the information can significantly influence and improve overall vehicle design. Data transfer among the analysis modules are based on an accurate and automated general purpose data transfer tool. In general, setup time for the integrated system presented in this paper is 2-4 days for simple shape change concepts and 1-2 weeks for more mechanically complicated concepts. Some of the key elements briefly described in the paper include parametric model development, aerodynamic database generation, multibody analysis, and the required software modules as well as examples for a telescoping wing, a folding wing, and a bat-like wing.

Samareh, Jamshid A.↗

Information-Theoretic Exploration of Multivariate Time-Varying Image Databases

Modern scientific simulations produce very large datasets, making interactive exploration of such data computationally prohibitive. An increasingly common data reduction technique is to store visualizations and other data extracts in a database. The Cinema project is one such approach, storing visualizations in an image database for post hoc exploration and interactive image-based analysis. This work focuses on developing efficient algorithms that can quantify various types of multivariate dependencies existing within multi-variable datasets. It applies specific mutual information measures for the quantification of salient regions from multivariate image data. Here, using such information measures, the opacity of the images is modulated so that the salient regions are automatically highlighted and the domain scientists can interactively explore the most relevant regions for scientific discovery.

97 MATHEMATICS AND COMPUTING↗

Density functional theory based study of chlorine doped WS{sub 2}-metal interface

Investigation of a transition metal dichalcogenide (TMD)-metal interface is essential for the effective functioning of monolayer TMD based field effect transistors. In this work, we employ the Density Functional Theory calculations to analyze the modulation of the electronic structure of monolayer WS{sub 2} with chlorine doping and the relative changes in the contact properties when interfaced with gold and palladium. We initially examine the atomic and electronic structures of pure and doped monolayer WS{sub 2} supercell and explore the formation of midgap states with band splitting near the conduction band edge. Further, we analyze the contact nature of the pure supercell with Au and Pd. We find that while Au is physiosorbed and forms n-type contact, Pd is chemisorped and forms p-type contact with a higher valence electron density. Next, we study the interface formed between the Cl-doped supercell and metals and observe a reduction in the Schottky barrier height (SBH) in comparison to the pure supercell. This reduction found is higher for Pd in comparison to Au, which is further validated by examining the charge transfer occurring at the interface. Our study confirms that Cl doping is an efficient mechanism to reduce the n-SBH for both Au and Pd, which form different types of contact with WS{sub 2}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗