Revertant mutation V48G alters conformational dynamics of highly drug resistant HIV protease PRS17
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Burnaman, Shelley H.↗
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Results for “conformance assessment”
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N plus 3 Advanced Concept Studies for Supersonic Commercial Transport Aircraft Entering Service in the 2030-2035 Period
Boeing, with Pratt & Whitney, General Electric, Rolls-Royce, M4 Engineering, Wyle Laboratories and Georgia Institute of Technology, conducted a study of supersonic commercial aircraft concepts and enabling technologies for the year 2030-2035 timeframe. The work defined the market and environmental/regulatory conditions that could evolve by the 2030/35 time period, from which vehicle performance goals were derived. Relevant vehicle concepts and technologies are identified that are anticipated to meet these performance and environmental goals. A series of multidisciplinary analyses trade studies considering vehicle sizing, mission performance and environmental conformity determined the appropriate concepts. Combinations of enabling technologies and the required technology performance levels needed to meet the desired goals were identified. Several high priority technologies are described in detail, including roadmaps with risk assessments that outline objectives, key technology challenges, detailed tasks and schedules and demonstrations that need to be performed. A representative configuration is provided for reference purposes, along with associated performance estimates based on these key technologies.
Welge, H. Robert↗
Identifying Climate-Smart Agriculture Research Needs
Climate-smart agriculture (CSA) is an approach to help agricultural systems worldwide, concurrently addressing three challenge areas: increased adaptation to climate change, mitigation of climate change, and ensuring global food security - through innovative policies, practices, and financing. It involves a set of objectives and multiple transformative transitions for which there are newly identified knowledge gaps. We address these questions raised by CSA within three areas: conceptualization, implementation, and implications for policy and decision-makers. We also draw up scenarios on the future of the CSA concept in relation to the 4 per 1000 Initiative (Soils for Food Security and Climate) launched at UNFCCC 21st Conference of the Parties (COP 21). Our analysis shows that there is still a need for further interdisciplinary research on the theoretical foundation of the CSA concept and on the necessary transformations of agriculture and land use systems. Contrasting views about implementation indicate that CSA focus on the ''triple win'' (adaptation, mitigation, food security) needs to be assessed in terms of science-based practices. CSA policy tools need to incorporate an integrated set of measures supported by reliable metrics. Environmental and social safeguards are necessary to make sure that CSA initiatives conform to the principles of sustainability, both at the agriculture and food system levels.
mitigation↗
The Role of Hydrophobic Nodes in the Dynamics of Class A β-Lactamases
Class A β-lactamases are known for being able to rapidly gain broad spectrum catalytic efficiency against most β-lactamase inhibitor combinations as a result of elusively minor point mutations. The evolution in class A β-lactamases occurs through optimisation of their dynamic phenotypes at different timescales. At long-timescales, certain conformations are more catalytically permissive than others while at the short timescales, fine-grained optimisation of free energy barriers can improve efficiency in ligand processing by the active site. Free energy barriers, which define all coordinated movements, depend on the flexibility of the secondary structural elements. The most highly conserved residues in class A β-lactamases are hydrophobic nodes that stabilize the core. To assess how the stable hydrophobic core is linked to the structural dynamics of the active site, we carried out adaptively sampled molecular dynamics (MD) simulations in four representative class A β-lactamases (KPC-2, SME-1, TEM-1, and SHV-1). Using Markov State Models (MSM) and unsupervised deep learning, we show that the dynamics of the hydrophobic nodes is used as a metastable relay of kinetic information within the core and is coupled with the catalytically permissive conformation of the active site environment. Finally, our results collectively demonstrate that the class A enzymes described here, share several important dynamic similarities and the hydrophobic nodes comprise of an informative set of dynamic variables in representative class A β-lactamases.
59 BASIC BIOLOGICAL SCIENCES↗
Engineering Evaluation of International Low Impact Docking System Latch Hooks
The international Low Impact Docking System (iLIDS) provides a structural arrangement that allows for visiting vehicles to dock with the International Space Station (ISS) (Fig 1). The iLIDS docking units are mechanically joined together by a series of active and passive latch hooks. In order to preserve docking capability at the existing Russian docking interfaces, the iLIDS latch hooks are required to conform to the existing Russian design. The latch hooks are classified as being fail-safe. Since the latch hooks are fail-safe, the hooks are not fracture critical and a fatigue based service life assessment will satisfy the structural integrity requirements. Constant amplitude fatigue testing to failure on four sets of active/passive iLIDS latch hooks was performed at load magnitudes of 10, 11, and 12 kips. Failure analysis of the hook fatigue failures identified multi-site fatigue initiation that was effectively centered about the hook mid-plane (consistent with the 3D model results). The fatigue crack initiation distribution implies that the fatigue damage accumulation effectively results in a very low aspect ratio surface crack (which can be simulated as thru-thickness crack). Fatigue damage progression resulted in numerous close proximity fatigue crack initiation sites. It was not possible to determine if fatigue crack coalescence occurs during cyclic loading or as result of the fast fracture response. The presence of multiple fatigue crack initiation sites on different planes will result in the formation of ratchet marks as the cracks coalesce. Once the stable fatigue crack becomes unstable and the fast fracture advances across the remaining ligament and the plane stress condition at a free-surface will result in failure along a 45 deg. shear plane (slant fracture) and the resulting inclined edge is called a shear lip. The hook thickness on the plane of fatigue crack initiation is 0.787". The distance between the shear lips on this plane was on the order of 0.48" and it was effectively centered about the mid-plane of the section. The numerous ratchet marks between the shear lips on the fracture initiation plane are indicative of multiple fatigue initiation sites within this region. The distribution of the fatigue damage about the centerline of the hook is consistent with the analytical results that demonstrate peak stress/strain response at the mid-plane that decreases in the direction of the hook outer surfaces. Scanning electron microscope images of the failed sections detected fatigue crack striations in close proximity to the free surface of the hook radius. These findings were documented at three locations on the fracture surface : 1) adjacent to the left shear lip, 2) adjacent to the right shear lip, and 3) near the centerline of the section. The features of the titanium fracture surface did not allow for a determination of a critical crack size via identification of the region where the fatigue crack propagation became unstable. The fracture based service life projections where benchmarked with strain-life analyses. The strainrange response in the hook radius was defined via the correlated finite element models and the modified method of universal slopes was incorporated to define the strain-life equation for the titanium alloy. The strain-life assessment confirmed that the fracture based projections were reasonable for the loading range of interest. Based upon the analysis and component level fatigue test data a preliminary service life capability for the iLIDS active and passive hooks of 2 lifetimes is projected (includes a scatter factor of 4).
Martinez, J.↗
A Method of Compliance for Achieving Target Collision Risk in UTM Operations
This work proposes a method of compliance to ensure that the collision risks among small unmanned aircraft systems meet the target level of safety. This method presents what is needed for a strategic conflict detection service to achieve the target level of safety when conflict between operational intents are not permitted in nominal situations. A volume-based collision risk model is first developed to calculate the UA-to-UA collision risk given any two operational intent volumes. With this collision risk model, a test strategy is then proposed to assess if a strategic conflict detection service can reduce the collision risk and meet the target level of safety. The method also specifies operational data that are required to be collected to verify if requirements on conformance are being met. Additionally, two new requirements are identified and proposed by this method beyond the current standard for strategic conflict detection. In the sensitivity analysis, three main factors contributing to the collision risk are investigated. The analysis shows that buffers should be considered in a strategic conflict detection service when deconflicting operational intents. The results also reveal that the selection of test cases plays an important role in evaluating the strategic conflict detection service, and they should be representative and sufficiently complex in evaluation tests.
Collision Risk↗
A Method of Compliance for Achieving Target Collision Risk in UTM Operations
This work proposes a method of compliance to ensure that the collision risks among small unmanned aircraft systems meet the target level of safety. This method presents what is needed for a strategic conflict detection service to achieve the target level of safety when conflict between operational intents are not permitted in nominal situations. A volume-based collision risk model is first developed to calculate the UA-to-UA collision risk given any two operational intent volumes. With this collision risk model, a test strategy is then proposed to assess if a strategic conflict detection service can reduce the collision risk and meet the target level of safety. The method also specifies operational data that are required to be collected to verify if requirements on conformance are being met. Additionally, two new requirements are identified and proposed by this method beyond the current standard for strategic conflict detection. In the sensitivity analysis, three main factors contributing to the collision risk are investigated. The analysis shows that buffers should be considered in a strategic conflict detection service when deconflicting operational intents. The results also reveal that the selection of test cases plays an important role in evaluating the strategic conflict detection service, and they should be representative and sufficiently complex in evaluation tests.
UTM, Method of Compliance, collision risk↗
A Method of Compliance for Achieving Target Collision Risk in UTM Operations
This work proposes a method of compliance to ensure that the collision risks among small unmanned aircraft systems meet the target level of safety. This method presents what is needed for a strategic conflict detection service to achieve the target level of safety when conflict between operational intents are not permitted in nominal situations. A volume-based collision risk model is first developed to calculate the UA-to-UA collision risk given any two operational intent volumes. With this collision risk model, a test strategy is then proposed to assess if a strategic conflict detection service can reduce the collision risk and meet the target level of safety. The method also specifies operational data that are required to be collected to verify if requirements on conformance are being met. Additionally, two new requirements are identified and proposed by this method beyond the current standard for strategic conflict detection. In the sensitivity analysis, three main factors contributing to the collision risk are investigated. The analysis shows that buffers should be considered in a strategic conflict detection service when deconflicting operational intents. The results also reveal that the selection of test cases plays an important role in evaluating the strategic conflict detection service, and they should be representative and sufficiently complex in evaluation tests.
UTM↗
Evaluation of GLAS Demonstration Model Loop Heat Pipe Thermal Vacuum Performance with Various Fluid Charges
Two loop heat pipes (LHPs) are to be used for tight thermal control of the Geoscience Laser Altimeter System (GLAS) instrument, planned for flight in late 2001. The LHPs are charged with Propylene as a working fluid. One LHP will be used to transport 110 W from a laser a radiator, the other will transport 190 W from electronic boxes to a separate radiator. The application includes a large amount of thermal mass in each LHP system and low initial startup powers. This along with some non-ideal flight design compromises, such as a less than ideal charge level for this design concept with a symmetrical secondary wick, lead to inadequate performance of the flight LHPs during the flight thermal vacuum test in October of 2000. This presentation focuses on identifying; the sources of the flight test difficulties by modifying the charge and test setup of the successfully tested Development Model Loop Heat Pipe (DM LHP). While very similar to the flight design, the DM L14P did have several significant difference in design and method of testing. These differences were evaluated for affect on performance by conforming the DM LHP to look more like the flight units. The major difference that was evaluated was the relative fill level of the working fluid within the concentrically design LHP compensation chamber. Other differences were also assessed through performance testing including starter heater size and "hot biasing" of major interior components. Performance was assessed with respect to startup, low power operation, conductance, and control heater power. The results of the testing showed that performance improves as initial charge increases, and when the starter heater is made smaller. The "hot biasing" of the major components did not appear to have a detrimental effect. As a result of test results of the DM LHP, modifications are being made to the flight units to increase the fluid charge and increase the watt-density of the starter heater.
Baker, Charles↗
A Functional Reference Architecture and Assessment Thereof for the National Ignition Facility Industrial Controls Systems
The Industrial Control System (ICS) at the National Ignition Facility (NIF) has an effective, well-established architecture based off a conventional cyclical software paradigm focused on maintainability and the identification of issues. This architecture exhibits scalability in ensuring expansions of the system conform to the existing architecture, modularity enough to allow relatively easy integrations of such expansions and works as a successful tool to introduce control system engineers new to the NIF ICS to the structure of the system at each layer. This architecture, like most software architectures, is object-oriented, lending itself to ease of understanding by control systems engineers and software engineers familiar with an object-oriented perspective. There are occasions, however, where engineers of other disciplines require insight into the functionality and structure of the ICS for the purposes of understanding fundamentally how their own system is or will be governed by the ICS, without the need for the details of operation of the ICS or the object-oriented view. For this reason, a functional architecture of the ICS could be a potent tool for communicating this insight. Even more powerful, a generalization of this proposed functional ICS architecture in the form of a National Ignition Facility and Photon Science (NIF & PS) Industrial Controls Reference Architecture could communicate this insight not just to systems governed by the ICS in the NIF proper, but across entirety of the NIF & PS Principal Associate Directorate (PAD), anywhere an instance of the ICS architecture is present, such as the approximately 40 “small labs” distributed across the directorate. Such a tool will provide an alternative means of understanding the implementation of these control systems, conducive to a larger variety of engineering and scientific disciplines.
42 ENGINEERING↗
Evidence of excited-state lifetime enhancement in dimyristoyl-phosphocholine nanodiscs by ultraviolet absorption spectroscopy
Ultraviolet absorption spectroscopy is an analytical tool that is commonly utilized to determine protein concentrations, primarily due to characteristic absorption of tryptophan and tyrosine at 280 nm. Accurate concentration determination is essential to the accuracy of many biophysical techniques, and ultraviolet absorption provides a convenient and rapid method to assess protein concentration. However, the widespread usage of this method assumes that ultraviolet absorption is the same for individual amino acids in aqueous solution (where the molar extinction coefficient was measured) as for the amino acid in the conformational environment of the protein of interest. We demonstrate that additional considerations may be necessary for the membrane scaffold protein in dimyristoyl-phosphocholine nanodiscs through ultraviolet absorption spectroscopy of nanodiscs, liposomes, the membrane scaffold protein, and a mixture of liposomes and the non-nanodisc-associated protein. The aromatic amino acids of the membrane scaffold protein absorb significantly less light at 280 nm when associated with lipids in a lipoprotein assembly, which we plausibly attribute to an enhancement of chromophore excited-state lifetimes due to reduced intramolecular motion in the nanodisc. We caution that using the molar absorptivity of the membrane scaffold protein alone to determine nanodisc concentrations may not yield accurate results. Instead, the molar absorptivity of each nanodisc formulation should be explored independently to account for the unique conformational environment of each nanodisc.
59 BASIC BIOLOGICAL SCIENCES↗
Quantification of Changes in Fill Tube Curvature During Target Assembly
National Ignition Facility (NIF) targets used for inertial confinement fusion (ICF) experiments are precision-engineered assemblies composed of more than 100 components carefully and precisely assembled with accuracies no larger than a few micrometers in most cases. When individual components deviate from these strict specifications during the assembly process, they can induce target failure. An integral component essential to ICF targets is the capsule-fill-tube assembly. This assembly involves bonding the capsule to a fused silica tube less than 5 μm in thickness, through which the tritium and deuterium (T 2 + D 2 ) fuel mixture is injected into the capsule prior to the NIF shot. The filling tube is bonded to a larger fused silica capillary, about 130 μm in outer diameter, which is coated with a polymeric layer on the order of a 10-μm thickness or less. Only tubes exhibiting a deflection equivalent to less than 1% of their total length from a perfectly straight line are suitable for assembly. Slight curvatures on the order of 1 mm over 10 cm can induce unwanted stresses, potentially causing capsule misalignment and resulting in clogging or leaks during the filling process. Despite manually qualitatively sorting each tube for straightness prior assembly, it has been found that the treatments the tubes undergo once attached to the capsule can alter their curvature. Filling tubes that initially satisfy straightness tolerances can undergo geometric deformation, resulting in curvature deviations exceeding 1% of their total length and thus failing to meet target assembly requirements. Here, in this study, we propose a metric to assess the degree of curvature of the filling tubes and to gauge their changes in curvature caused by the standard thermal processing methods employed in target assembly. In addition, we suggest alternatives to mitigate tube curvature, ensuring they conform to specifications following assembly in the final targets.
Materials science↗
Vertical control of DIII-D discharges with strong negative triangularity
Through predictive modeling validated by a series of experiments on DIII-D, the vertical stability of low β diverted plasmas with strong negative triangularity (NT) ($\delta\sim-0.6$) is assessed. As a result of their unique magnetic geometry, NT plasmas feature larger Shafranov shifts and more elongated inner flux surfaces than positive triangularity counterparts, typically leading to enhanced vertical instability growth rates. However, coupling with the non-conformal vessel DIII-D wall reduces these growth rates to controllable values, providing a path forward for stabilizing strongly NT plasma with a diverted geometry. These discharges are used to validate GSdesign (part of the TokSys code suite) stability calculations in strong NT plasmas on DIII-D, with errors of no more than ~20% observed between modeled and experimentally measured growth rates. Additions of diagnostic noise and power supply tuning to the TokSys model are needed to accurately capture the time dependence of DIII-D NT discharges, assisting with the design of control schemes specific to the DIII-D poloidal field coils. Lastly, implications of these results on a future NT reactor are briefly described.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Hardware cleanliness methodology and certification
Inadequacy of mass loss cleanliness criteria for selection of materials for contamination sensitive uses, and processing of flight hardware for contamination sensitive instruments is discussed. Materials selection for flight hardware is usually based on mass loss (ASTM E-595). However, flight hardware cleanliness (MIL 1246A) is a surface cleanliness assessment. It is possible for materials (e.g. Sil-Pad 2000) to pass ASTM E-595 and fail MIL 1246A class A by orders of magnitude. Conversely, it is possible for small amounts of nonconforming material (Huma-Seal conformal coating) to not present significant cleanliness problems to an optical flight instrument. Effective cleaning (precleaning, precision cleaning, and ultra cleaning) and cleanliness verification are essential for contamination sensitive flight instruments. Polish cleaning of hardware, e.g. vacuum baking for vacuum applications, and storage of clean hardware, e.g. laser optics, is discussed. Silicone materials present special concerns for use in space because of the rapid conversion of the outgassed residues to glass by solar ultraviolet radiation and/or atomic oxygen. Non ozone depleting solvent cleaning and institutional support for cleaning and certification are also discussed.
Harvey, Gale A.↗
Engine panel seals for hypersonic engine applications: High temperature leakage assessments and flow modelling
A critical mechanical system in advanced hypersonic engines is the panel-edge seal system that seals gaps between the articulating horizontal engine panels and the adjacent engine splitter walls. Significant advancements in seal technology are required to meet the extreme demands placed on the seals, including the simultaneous requirements of low leakage, conformable, high temperature, high pressure, sliding operation. In this investigation, the seal concept design and development of two new seal classes that show promise of meeting these demands will be presented. These seals include the ceramic wafer seal and the braided ceramic rope seal. Presented are key elements of leakage flow models for each of these seal types. Flow models such as these help designers to predict performance-robbing parasitic losses past the seals, and estimate purge coolant flow rates. Comparisons are made between measured and predicted leakage rates over a wide range of engine simulated temperatures and pressures, showing good agreement.
Steinetz, Bruce M.↗
Understanding the Impacts of Support–Polymer Interactions on the Dynamics of Poly(ethyleneimine) Confined in Mesoporous SBA-15
Supported amines are a promising class of CO 2 sorbents offering large uptake capacities and fast uptake rates. Additionally, among supported amines, poly(ethyleneimine) (PEI) physically impregnated in the mesopores of SBA-15 silica is widely used. Within these composite materials, the chain dynamics and morphologies of PEI strongly influence the CO 2 capture performance, yet little is known about chain and macromolecule mobility in confined pores. Here, we probe the impact of the support–PEI interactions on the dynamics and structures of PEI at the support interface and the corresponding impact on CO 2 uptake performance, which yields critical structure–property relationships. The pore walls of the support are grafted with organosilanes with different chemical end groups to differentiate interaction modes (spanning from strong attraction to repulsion) between the pore surface and PEI. Combinations of techniques, such as quasi-elastic neutron scattering (QENS), 1 H T 1 –T 2 relaxation correlation solid-state NMR, and molecular dynamics (MD) simulations, are used to comprehensively assess the physical properties of confined PEI. We hypothesized that PEI would have faster dynamics when subjected to less attractive or repulsive interactions. However, we discover that complex interfacial interactions resulted in complex structure–property relationships. Indeed, both the chain conformation of the surface-grafted chains and of the PEI around the surface influenced the chain mobility and CO 2 uptake performance. By coupling knowledge of the dynamics and distributions of PEI with CO 2 sorption performance and other characteristics, we determine that the macroscopic structures of the hybrid materials dictate the first rapid CO 2 uptake, and the rate of CO 2 sorption during the subsequent gradual uptake stage is determined by PEI chain motions that promote diffusive jumps of CO 2 through PEI-packed domains.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Spacelab soft mockup comparative evaluation
An assessment of two proposed Spacelab configurations with diameters of 14 and 12 feet was conducted by using two inexpensive wooden mockups containing cardboard fixtures. Also examined was an alternate mounting arrangement for the 12-foot diameter configuration, taking advantage of conforming equipment racks to the cylinder walls. A volume comparison of the three configurations was made using a life sciences payload which is considered to be one of the more voluminous payloads. It was found that crew volume in the 12-foot baseline configuration appeared marginal for the life sciences payload, especially where crewmen were engaged in activities with competing demands. The 12-foot configurations of life sciences payloads offered little margin for stowage or equipment growth. Increased demands would necessitate longer module lengths. Similar results could be expected with other large volume payloads.
Watters, H.↗
A vectorized solution for incompressible flow
An algorithm is developed to obtain solutions to the unsteady Reynolds-averaged incompressible Navier-Stokes equations in general curvilinear coordinates on a vector processor. The governing equations are in nonconservative form with the velocity and pressure as dependent variables. Two momentum equations and the Poisson equation for pressure form a set of three governing equations for three flow field unknowns: u, v, and p. The governing equations and boundary conditions are expressed in terms of boundary-conforming curvilinear coordinates, and a checkerboard SOR iteration is used to solve the governing equations. Several possible sequences for a checkerboard SOR iteration are investigated for finding the best overall convergence rate. The efficiency and capability of the present algorithm was assessed using the example of an 18 percent thick NACA 66(3)018 airfoil at zero degree angle of attack for chord Reynolds number range 1000-40,000.
Patel, N. R.↗