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At least 1,117 records · Page 62

Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti–COVID-19 drug design

Viral papain-like cysteine protease (PLpro, NSP3) is essential for SARS-CoV-2 replication and represents a promising target for the development of antiviral drugs. Here, we used a combinatorial substrate library and performed comprehensive activity profiling of SARS-CoV-2 PLpro. On the scaffold of the best hits from positional scanning, we designed optimal fluorogenic substrates and irreversible inhibitors with a high degree of selectivity for SARS PLpro. We determined crystal structures of two of these inhibitors in complex with SARS-CoV-2 PLpro that reveals their inhibitory mechanisms and provides a molecular basis for the observed substrate specificity profiles. Last, we demonstrate that SARS-CoV-2 PLpro harbors deISGylating activity similar to SARSCoV-1 PLpro but its ability to hydrolyze K48-linked Ub chains is diminished, which our sequence and structure analysis provides a basis for. Together, this work has revealed the molecular rules governing PLpro substrate specificity and provides a framework for development of inhibitors with potential therapeutic value or drug repurposing.

59 BASIC BIOLOGICAL SCIENCES↗

Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Appendix I

As stated in Section 9.1.2.2, a final inventory of parent radionuclides is projected for every DU at the time of facility operational closure in 2065. These final closure inventories are upper-bound estimates wherein each DU is assumed to reach its activity capacity. Composition vectors based on existing DU inventories are employed to estimate the final compositions of all existing and future DUs. Specifically, (1) the existing DU compositions are assumed to remain constant; (2) future DUs are assigned averaged existing compositions based on appropriately averaged DUs. This information is detailed in Appendix H, Section H.7. In addition, the variability in composition among existing DUs is used to generate log-normal distributions for uncertainty quantification, which is detailed in Section I.1.1.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

The effect of blade sweep on propeller performance

The advanced propeller developed for high Mach number cruise incorporates swept blades to reduce compressibility losses. In order to evaluate the induced flow-field vortex lattice methods are applied to a swept propeller blade. The blade is modeled by a radial distribution of helical horseshoe vortices with a single swept bound vortex at the quarter chord and the control point at the three-quarter chord of each radial section. The results of numerical calculations show that the power coefficient decreases as the blade is swept and the power loading distribution shifts inboard.

Sullivan, J. P.↗

Coulomb confinement in the Hamiltonian limit

The Gribov-Zwanziger scenario attributes the phenomenon of confinement to the instantaneous interaction term in the QCD Hamiltonian in the Coulomb gauge. For a static quark-antiquark pair, it leads to a potential energy that increases linearly with the distance between them. Lattice studies of the SU(2) Yang-Mills theory determined the corresponding (Coulomb) string tension for sources in the fundamental representation, 𝜎 𝐶 , to be about 3 times larger than the Wilson loop string tension, 𝜎 𝐹 . It is far above the Zwanziger variational bound, 𝜎 𝐶 ≥ 𝜎 𝐹 . We argue that the value often reported in the literature is artificially inflated. We examine the lattice definition of the instantaneous potential, find the source of the string tension’s enhancement, and perform its improved determination in SU(2) lattice gauge theory. We report our conservative estimate for the value of the Coulomb string tension as 𝜎 𝐶 /𝜎 𝐹 = 2.0 ± 0.4 and discuss its phenomenological implications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Frequency Response Improvement in a Standalone Small Hydropower Plant Using Battery Storage

This paper proposes a control architecture for frequency, current, and voltage control that facilitates using battery storage to improve the response of standalone small hydropower plants. The frequency controller uses rate-of-change of frequency and frequency-Watt-based generations to produce active power commands. The distinctive feature of the controller design is that it nicely integrates response to frequency change with constraints on frequency and state of battery to enable power injections. The current and voltage control scheme allows incorporating the frequency controller. The distinctive feature of this controller is that it incorporates a bounded integral control strategy that guarantees stability. Results on the stability of the hydropower plant with proposed scheme are presented and robust ways to choose the controller gains are investigated via root locus analysis. In conclusion, simulations performed show that: the hydropower plant response is significantly improved with battery storage using the proposed scheme; the load carrying capability of the hydropower plant is significantly improved with battery storage; the proposed scheme has the capability to recharge the battery; and the proposed control scheme gives improved performance.

13 HYDRO ENERGY↗

An Iterative Response-Surface-Based Approach for Chance-Constrained AC Optimal Power Flow Considering Dependent Uncertainty

A modern power system is characterized by a stochastic variation of the loads and an increasing penetration of renewable energy generation, which results in large uncertainties in its states. These uncertainties bring formidable challenges to the power system planning and operation process. To address these challenges, we propose a cost-effective, iterative response-surface-based approach for the chance-constrained AC optimal power-flow problem that aims to ensure the secure operation of the power systems considering dependent uncertainties. Starting from a stochastic-sampling-based framework, we first utilize the copula theory to simulate the dependence among multivariate uncertain inputs. Then, to reduce the prohibitive computational time required in the traditional Monte-Carlo method, we propose, instead of using the original complicated power-system model, to rely on a polynomial-chaos-based response surface. This response surface allows us to efficiently evaluate the time-consuming power-system model at arbitrary distributed sampled values with a negligible computational cost. This further enables us to efficiently conduct an online stochastic testing for the system states that not only screens out the statistical active constraints, but also assists in a better design of the tightened bounds without using any Gaussian or symmetric assumption. Finally, an iterative procedure is executed to fine-tune the optimal solution that better satisfies a predefined probability. The simulations conducted in multiple test systems demonstrate the excellent performance of the proposed method.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Trojan horse method as an indirect approach to study resonant reactions in nuclear astrophysics

The primary goal of the Trojan horse method (THM) is to analyze resonant rearrangement reactions when the density of the resonance levels is low and statistical models cannot be applied. The main difficulty of the analysis is related with the facts that in the final state the THM reaction involves three particles and that the intermediate particle, which is transferred from the Trojan horse particle to the target nucleus to form a resonance state, is virtual. Another difficulty is associated with the Coulomb interaction between the particles, especially, taking into account that the goal of the THM is to study resonant rearrangement reactions at very low energies important for nuclear astrophysics. The exact theory of such reactions with three charged particles is very complicated and is not available. This is why different approximations are used to analyze THM reactions. In this review paper we describe a new approach based on a few-body formalism that provides a solid basis for deriving the THM reaction amplitude taking into account rescattering of the particles in the initial, intermediate and final states of the THM reaction. Since the THM uses a two-step reaction in which the first step is the transfer reaction populating a resonance state, we address the theory of the transfer reactions. The theory is based on the surface-integral approach and R-matrix formalism. We also discuss application of the THM to resonant reactions populating both resonances located on the second energy sheet and subthreshold resonances, which are subthreshold bound states located at negative energies close to thresholds. We consider the application of the THM to determine the astrophysical factors of resonant radiative-capture reactions at energies so low that direct measurements can hardly be performed due to the negligibly small penetrability factor in the entry channel of the reaction. Here, we elucidated the main ideas of the THM and outline necessary conditions to perform the THM experiments.

79 ASTRONOMY AND ASTROPHYSICS↗

2D material-based layer transfer: Challenges and opportunities

For future of electronics such as bioelectronics, 3D integrated electronics, and bendable electronics, needs for flexibility and stackability of electronic products have substantially grown up. However, conventional wafer-based single-crystalline semiconductors cannot catch up with such trends because they are bound to the thick rigid wafers such that they are neither flexible nor stackable. Although polymer-based organic electronic materials are more compatible as they are mechanically complaint and less costly than inorganic counterparts, their electronic/photonic performance is substantially inferior to that of single-crystalline inorganic materials. For the past few decades, many different strategies to mitigate such performance-mechanical compliance dilemma by developing methods to obtain cheap, flexible, stackable, single-crystalline inorganic systems. In today’s talk, I will discuss about various strategies to realize such a dream electronic system and how these strategies unlock new ways of manufacturing advanced electronic systems. One of the most promising approaches is to fabricate freestanding ultrathin membranes from existing functional material wafers by peeling the active layers from the top. I will overview all freestanding membrane methods and especially dive deeply into 2D materials-based layer transfer (2DLT) technique that has been recently emerging as one of the very promising options. In the 2DLT process, one can produce single-crystalline freestanding membranes from 3D materials by performing remote epitaxy or van der Waals epitaxy on 2D materials followed by peeling active single-crystalline films from the 2D materials. I will discuss about the challenges and opportunities of this technology. In addition, I will present unprecedented artificial heterostructures that can be enabled by stacking those freestanding 3D material membranes.

Kim, Jeehwan↗

HPC Resource Allocation Under Energy Constraints

We discuss the new problem faced by High-Performance Computing (HPC) facilities in allocating resources to users of their facilities: while facilities once allocated a single finite resource—node-hours—now facilities must also concurrently allocate a second scarce resource: electrical energy, which is bounded within each facility's annual operations budget. Current application optimization practices encourage conservation of the first resource, but can be potentially unaffordably wasteful of the second. We describe a framework for reasoning about such allocations that can be utilized by facilities to articulate policy, while encouraging scientific application developers to write code mindfully of both constraints. We outline the requirements on facilities, on developers, and on hardware vendors and integrators that are necessary to enable the implementation of this framework.

97 MATHEMATICS AND COMPUTING↗

Fifty ways to build a deuteron: a variational calculation of two-nucleon systems

A variational study of two-nucleon systems with lattice quantum chromodynamics is performed using a wide range of interpolating operators: dibaryon operators built from products of momentum-projected nucleons, hexaquark operators built from six spatially localized quarks, and quasi-local operators inspired by two-nucleon bound-state wavefunctions in nuclear effective field theories. Correlation-function matrices involving products of these operators are constructed by computing timeslice-to-all quark propagators with sparsening techniques. Comparisons between results obtained using the same gauge-field ensemble but different interpolating-operator sets demonstrate that interpolating-operator dependence can lead to significant effects on the two-nucleon energy spectra obtained using both variational and non-variational methods.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Advanced ion thruster and electrochemical launcher research

The theoretical model of orificed hollow cathode operation predicted experimentally observed cathode performance with reasonable accuracy. The deflection and divergence characteristics of ion beamlets emanating from a two grid optics system as a function of the relative offset of screen and accel grids hole axes were described. Ion currents associated with discharge chamber operation were controlled to improve ion thruster performance markedly. Limitations imposed by basic physical laws on reductions in screen grid hole size and grid spacing for ion optics systems were described. The influence of stray magnetic fields in the vicinity of a neutralizer on the performance of that neutralizer was demonstrated. The ion current density extracted from a thruster was enhanced by injecting electrons into the region between its ion accelerating grids. Theoretical analysis of the electrothermal ramjet concept of launching space bound payloads at high acceleration levels is described. The operation of this system is broken down into two phases. In the light gas gun phase the payload is accelerated to the velocity at which the ramjet phase can commence. Preliminary models of operation are examined and shown to yield overall energy efficiences for a typical Earth escape launch of 60 to 70%. When shock losses are incorporated these efficiencies are still observed to remain at the relatively high values of 40 to 50%.

Wilbur, P. J.↗

An advanced control system for a next generation transport aircraft

The use of modern control theory to develop a high-authority stability and control system for the next generation transport aircraft is described with examples taken from work performed on an advanced pitch active control system (PACS). The PACS was configured to have short-period and phugoid modes frequency and damping characteristics within the shaded S-plane areas, column force gradients with set bounds and with constant slope, and a blended normal-acceleration/pitch rate time history response to a step command. Details of the control law, feedback loop, and modal control syntheses are explored, as are compensation for the feedback gain, the deletion of the velocity signal, and the feed-forward compensation. Scheduling of the primary and secondary gains are discussed, together with control law mechanization, flying qualities analyses, and application on the L-1011 aircraft.

Rising, J. J.↗

Performance analysis of FDDI

The Fiber Distributed Data Interface (FDDI) is an imerging ANSI and ISO standard for a 100 megabit per second fiber optic token ring. The performance of the FDDI media access control protocol is analyzed using a simulation developed at NASA Ames. Both analyses using standard measures of performance (including average delay for asynchronous traffic, channel utilization, and transmission queue length) and analyses of characteristics of ring behavior which can be attributed to constraints imposed by the timed token protocol on token holding time (including bounded token rotation time, support for synchronous traffic, and fairness of channel access for nodes transmitting asynchronous traffic) are included.

Johnson, Marjory J.↗

An approach to CMG steering using feedback linearization

This paper presents an approach for controlling spacecraft equipped with control moment gyroscopes. A technique from feedback linearization theory is used to transform the original nonlinear problem to an equivalent linear form without approximating assumptions. In this form, the spacecraft dynamics appear linearly, and are decoupled from redundancy in the system of gyroscopes. A general approach to distributing control effort among the available actuators is described which includes provisions for redistribution of rotors, explicit bounds in gimbal rates, and guaranteed operation at or near singular configurations. A particular algorithm is developed for systems of double-gimbal devices, and demonstrated in two examples for which existing approaches fail to give adequate performance.

Dzielski, John↗

Approach to control moment gyroscope steering using feedback linearization

This paper presents an approach for controlling spacecraft equipped with control moment gyroscopes. A technique from feedback linearization theory is used to transform the original nonlinear problem to an equivalent linear form without approximating assumptions. In this form, the spacecraft dynamics appear linearly, and are decoupled from redundancy in the system of gyroscopes. A general approach to distributing control effort among the available actuators is described which includes provisions for redistribution of rotors, explicit bounds in gimbal rates, and guaranteed operation at or near singular configurations. A particular algorithm is developed for systems of double-gimbal devices, and demonstrated in two examples for which existing approaches fail to give adequate performance.

Dzielski, John↗

Reliability of voting in fault-tolerant software systems for small output spaces

Under a voting strategy in a fault-tolerant software system there is a difference between correctness and agreement. An independent N-version programming reliability model is proposed for treating small output spaces which distinguishes between correctness and agreement. System reliability is investigated using analytical relationships and simulation. A consensus majority voting stratey is proposed and its performance is analyzed and compared with other voting strategies. A consensus voting strategy automatically adapts the voting to diffeerent component reliability and output space cardinality characteristics. It is shown that absolute majority voting strategy provides a lower bound on the reliability provided by the consensus majority, and the 2-of-n voting strategy an upper bound. If r is the cardinality of output space it is proved that 1/r is a lower bound on the average reliability of fault-tolerant system components below which the system reliability begins to deteriorate as more versions are added.

Mcallister, David F.↗

Advanced Aero-Propulsive Mid-Lift-to-Drag Ratio Entry Vehicle for Future Exploration Missions

NASA is currently looking well into the future toward realizing Exploration mission possibilities to destinations including the Earth-Moon Lagrange points, Near-Earth Asteroids (NEAs) and the Moon. These are stepping stones to our ultimate destination Mars. New ideas will be required to conquer the significant challenges that await us, some just conceptions and others beginning to be realized. Bringing these ideas to fruition and enabling further expansion into space will require varying degrees of change, from engineering and integration approaches used in spacecraft design and operations, to high-level architectural capabilities bounded only by the limits of our ideas. The most profound change will be realized by paradigm change, thus enabling our ultimate goals to be achieved. Inherent to achieving these goals, higher entry, descent, and landing (EDL) performance has been identified as a high priority. Increased EDL performance will be enabled by highly-capable thermal protection systems (TPS), the ability to deliver larger and heavier payloads, increased surface access, and tighter landing footprints to accommodate multiple asset, single-site staging. In addition, realizing reduced cost access to space will demand more efficient approaches and reusable launch vehicle systems. Current operational spacecraft and launch vehicles do not incorporate the technologies required for these far-reaching missions and goals, nor what is needed to achieve the desired launch vehicle cost savings. To facilitate these missions and provide for safe and more reliable capabilities, NASA and its partners will need to make ideas reality by gaining knowledge through the design, development, manufacturing, implementation and flight testing of robotic and human spacecraft. To accomplish these goals, an approach is recommended for integrated development and implementation of three paradigm-shifting capabilities into an advanced entry vehicle system with additional application to launch vehicle stage return, thus making ideas reality. These paradigm shifts include the technology maturation of advanced flexible thermal protection materials onto mid lift-to-drag ratio entry vehicles, the development of integrated supersonic aero-propulsive maneuvering, and the implementation of advanced asymmetric launch shrouds. These paradigms have significant overlap with launch vehicle stage return already being developed by the Air Force and several commercial space efforts. Completing the realization of these combined paradigms holds the key to a high-performing entry vehicle system capability that fully leverages multiple technology benefits to accomplish NASA's Exploration missions to atmospheric planetary destinations.

Campbell, C. H.↗

CHIANTI-An Atomic Database for Emission Lines. XV. Version 9, Improvements for the X-Ray Satellite Lines

CHIANTI contains a large quantity of atomic data for the analysis of astrophysical spectra. Programs are available in IDL and Python to perform calculation of the expected emergent spectrum from these sources. The database includes atomic energy levels, wavelengths, radiative transition probabilities, rate coefficients for collisional excitation, ionization, and recombination, as well as data to calculate free–free, free–bound, and two-photon continuum emission. In Version 9, we improve the modeling of the satellite lines at X-ray wavelengths by explicitly including autoionization and dielectronic recombination processes in the calculation of level populations for select members of the lithium isoelectronic sequence and Fe XVIII–XXIII. In addition, existing data sets are updated, new ions are added, and new total recombination rates for several Fe ions are included. All data and IDL programs are freely available at http://www.chiantidatabase.org or through SolarSoft, and the Python code ChiantiPy is also freely available at https://github.com/chianti-atomic/ChiantiPy.

X-rays (general)↗