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At least 1,459 records · Page 81

Two-bond 13 C– 13 C spin-coupling constants in saccharides: dependencies on exocyclic hydroxyl group conformation

Seven doubly 13 C-labeled isotopomers of methyl β-D-glucopyranoside, methyl β-D-xylopyranoside, methyl β-D-galactopyranoside, methyl β-D-galactopyranosyl-(1→4)-β-D-glucopyranoside and methyl β-D-galactopyranosyl-(1→4)-β-D-xylopyranoside were prepared, crystallized, and studied by single-crystal X-ray crystallography and solid-state 13 C NMR spectroscopy to determine experimentally the dependence of 2 J C1,C3 values in aldopyranosyl rings on the C1–C2–O2–H torsion angle, θ 2 , involving the C2 carbon of the C1–C2–C3 coupling pathway. Using X-ray crystal structures to determine θ 2 in crystalline samples and by selecting compounds that exhibit a relatively wide range of θ 2 values in the crystalline state, 2 J C1,C3 values measured in crystalline samples were plotted against θ 2 and the resulting plot compared to that obtained from density functional theory (DFT) calculations. For θ 2 values ranging from ~90° to ~240°, very good agreement was observed between the experimental and theoretical plots, providing strong validation of DFT-calculated spin-coupling dependencies on exocyclic C–O bond conformation involving the central carbon of geminal C–C–C coupling pathways. we report that these findings provide new experimental evidence supporting the use of 2 J CCC values as non-conventional spin-coupling constraints in MA'AT conformational modeling of saccharides in solution, and the use of NMR spin-couplings not involving coupled hydroxyl hydrogens as indirect probes of C–O bond conformation. Solvomorphism was observed in crystalline βGal-(1→4)-βGlcOCH 3 wherein the previously-reported methanol solvate form was found to spontaneously convert to a monohydrate upon air-drying, leading to small but discernible conformational changes in, and a new crystalline form of, this disaccharide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mod-5A Wind Turbine Generator Program Design Report. Volume 4: Drawings and Specifications, Book 1

The design, development and analysis of the 7.3 MW MOD-5A wind turbine generator is documented. Volume 4 contains the drawings and specifications that were developed in preparation for building the MOD-5A wind turbine generator. This is the first of five books of volume four. It contains structural design criteria, generator step-up transformer specs, specs for design, fabrication and testing of the system, specs for the ground control enclosure, systems specs, slip ring specs, and control system specs.

Source record↗

Two-dimensional viscous accretion disk models. II - On viscous overstability

Accretion disks have been shown to be susceptible to pulsational overstability when the viscosity coefficient increases upon compression. In this study, the stability of an axisymmetric accretion disk with vertical structure is considered. 2D axisymmetric calculations were performed by solving the set of fully nonlinear hydrodynamic equations, including radiation transport. The time evolution of a representative section (ring) of a thin radiative accretion disk is studied. The existence of the overstability in 2D is confirmed. It is found that the presence of periodic oscillations near the outer boundary of a real disk might account for some of the low-amplitude flickering observed in dwarf novae.

Kley, W.↗

Design and control of a hand exoskeleton for use in extravehicular activities

To counter problems inherent in extravehicular activities (EVA) and complex space operations, an exoskeleton, a unique adaptive structure, has been designed. The exoskeleton fits on the hand and powers the proximal and middle phalanges of the index finger, the middle finger, and the combined ring and little finger. A kinematic analysis of the exoskeleton joints was performed using the loop-closure method. This analysis determined the angular displacement and velocity relationships of the exoskeleton joints. This information was used to determine the output power of the exoskeleton. Three small DC motors (one for each finger) are used to power the exoskeleton. The motors are mounted on the forearm. Power is transferred to the exoskeleton using lead screws. The control system for the exoskeleton measures the contact force between the operator and the exoskeleton. This information is used as the input to drive the actuation system. The control system allows the motor to rotate in both directions so that the operator may close or open the exoskeleton.

Shields, B.↗

Natural frequency of uniform and optimized tetrahedral truss platforms

Qualitative and quantitative estimates for the fundamental frequency of uniform and optimized tetrahedral truss platforms are determined. A semiempirical equation is developed for the frequency of free-free uniform trusses as a function of member material properties, truss dimensions, and parasitic (nonstructural) mass fraction Mp/Mt. Optimized trusses with frequencies approximately two times those of uniform trusses are determined by varying the cross-sectional areas of member groups. Trusses with 3 to 8 rings, no parasitic mass, and member areas up to 25 times the minimum area are optimized. Frequencies computed for ranges of both Mp/Mt and the ratio of maximum area to minimum area are normalized to the frequency of a uniform truss with no parasitic mass. The normalized frequency increases with the number of rings, and both frequency and the ratio of maximum area to minimum area decrease with increasing Mp/Mt. Frequency improvements that are achievable with a limited number of member areas are estimated for a 3-ring truss by using Taguchi methods. Joint stiffness knockdown effects are also considered. Comparison of optimized and baseline uniform truss frequencies indicates that tailoring can significantly increase structural frequency; maximum gains occur for trusses with low values of Mp/Mt. This study examines frequency trends for ranges of structural parameters and may be used as a preliminary design guide.

Wu, K. Chauncey↗

NASA's Space Launch System Begins Integration, Stacking in Preparation for Artemis I Launch

The Artemis era of human lunar exploration is nearing take-off as NASA’s new super heavy-lift launch vehicle, the Space Launch System (SLS), begins stack-ing and integration operations in mid-2020 at Kennedy Space Center (KSC) in Florida. With a planned upgrade path to progressively more powerful vehicles and availability in crew and cargo configurations, SLS provides a unique and flexible launch solution to send crew, large-scale infrastructure and robotic probes to deep space. The SLS Block 1 vehicle, the initial variant to fly, is optimized for lunar missions with a proven propulsion system consisting of four liquid hydrogen (LH2)/liquid oxygen (LOX)-fed RS-25 engines and twin five-segment solid rocket boosters (SRBs). The Block 1 vehicle can also be outfitted with an industry-standard 5 m-class payload fairing (the “cargo” configuration) and will launch at least 27 metric tons (t) of mass to trans-lunar injection (TLI). SLS is the backbone of NASA’s Artemis program, which will return the agency’s human spaceflight program to the Moon for the first time since 1972. For the Artemis I mission, SLS will send an uncrewed Orion spacecraft to TLI, where it will enter a distant retrograde lunar orbit and fly 38,000 nmi past the Moon – farther than any spacecraft built for humans has ever traveled. The SLS Block 1 vehicle for Artemis I completed manufacturing in 2019. Several elements, including the upper stage, have been delivered to the Exploration Ground Systems (EGS) program at KSC and are being prepped for integration and stack-ing. The five-segment solid rocket boosters – the largest and most powerful ever built for flight – are also complete. The booster motor segments for the Artemis I flight are scheduled to ship from prime contractor Northrop Grumman’s Utah facilities and begin stacking and integration at KSC in June 2020. The SLS core stage is the largest rocket stage NASA has ever built in terms of volume and height, and includes the avionics and the tanks that feed cryogenic propellant to the four RS-25s (formerly Space Shuttle Main Engines [SSMEs]). They have been modified with an updated controller and nozzle insulation to protect them from the hotter launch environment. The SLS core stage is currently being test-ed at NASA’s Stennis Space Center (SSC) in a series of “green run” tests to verify it meets design and performance requirements. Following the green run test series, which is scheduled to culminate with a full-duration hot-fire of the four RS-25 engines, the core stage will ship to KSC and be stacked between the sol-id rocket boosters in the Vehicle Assembly Building (VAB). Integration of the vehicle will continue with the upper stage, known as the Interim Cryogenic Propulsion Stage (ICPS) and the Launch Vehicle Stage Adapter (LVSA) on the core stage. Another adapter, the Orion Stage Adapter (OSA), connects SLS to Orion and provides housing for 13 6U CubeSat payloads manifested on Artemis I. The CubeSats will be released in deep space after Orion separates from the vehicle, and the flight marks the first ride share opportunity for independent small-sats to deep space. The second major SLS variant to come online, Block 1B, replaces the single-engine ICPS with a four-engine LH2/LOX Exploration Upper Stage (EUS). This more powerful upper stage, along with other vehicle up-grades, will enable the Block 1B vehicle to launch 38-42 t to TLI, depending on crew or cargo configuration. The final evolution of the vehicle, Block 2, will onramp evolved solid rocket boosters to increase mass to TLI to 43-46 t, de-pending on crew or cargo configuration. The Block 1B/Block 2 vehicles can be outfitted with an 8.4 m-diameter payload fairing in 19.1 m or 27.4 m lengths, to provide unprecedented volume for payloads. With the initial Block 1 vehicle completely manufactured and the core stage in final testing before shipping to KSC, the SLS Program and its industry partners have made significant progress manufacturing subsequent vehicles. For the second Block 1 vehicle, the solid rocket motor segments are complete, as are the RS-25 engines with controllers. All five major components of the Artemis II core stage – the forward skirt, LOX and LH2 tanks, intertank and engine section – are manufactured and technicians are installing subsystems at NASA’s rocket factory, Michoud Assembly Facility. The RL-10 engine for the Artemis II ICPS is complete and panels have been machined for its LH2 tank. In addition, panels are machined for the vehicle’s two adapters, with welding scheduled to begin in summer 2020. Flight hard-ware is also in production for the third SLS vehicle, with several booster motor segments cast. The pace of development on the EUS has increased, with the goal to complete Critical Design Review (CDR) in December 2020. Several EUS test rings have been machined at Michoud. The EUS is designed to exe-cute a variety of missions – human spaceflight, deployment of deep-space infra-structure, or high-C3 missions to the outer solar system – with crew and cargo configurations available beginning in the mid-2020s. The near-term goal for the nation’s powerful new space exploration asset, however, is to launch the Arte-mis program, and send the first woman and the next man to the lunar surface. At the Astrodynamics Specialist Conference, the SLS program will update the community on the progress of the initial Block 1 vehicle in final green run test-ing, integration and stacking. In addition, this paper will provide an update to the community on the manufacturing status of subsequent Block 1 and Block 1B vehicles.

Steve Creech↗

The ringed X-galaxy NGC 7020

The southern SO (sup +) galaxy NGC 7020 presents an unusual morphology: it includes a very regular outer ring which is completely detached and which envelops an inner ring/lens zone with a hexagon surrounding an X shape. The outer ring has a high contrast compared to those usually observed in barred galaxies, yet NGC 7020 is not obviously barred. The morphology of this galaxy poses an interesting puzzle in that the hexagonal/X zone is not a typical type of feature to find in the interior of such a regular ring. Instead, the zone bears a striking resemblance to the edge-on galaxy IC 4767, recently studied by Whitmore and Bell (1988 = WB88) and dubbed by them as the X-galaxy because its inner regions appear to be crossed by two distinct enhancements lined at plus or minus 22 deg with respect to the major axis. The observation of a similar phenomenon in NGC 7020 is interesting because of the suggestion by WB88 that X structures could be related to accretion of matter associated with a merger or tidal encounter between an SO and a small satellite galaxy. If this interpretation is correct for NGC 7020, then it has important implications for the nature of the outer ring. An alternative interpretation is that the inner hexagonal/X zone is a region where resonant periodic orbits in a weak bi-symmetric potential perturbation are influencing the morphology more strongly than might be expected. A brief summary of a more extensive paper (Buta 1990c = B90c) and a few other details concerning this interesting galaxy are given.

Buta, Ronald↗

Monolithic Flexure Pre-Stressed Ultrasonic Horns

A monolithic ultrasonic horn where the horn, backing, and pre-stress structures are combined in a single monolithic piece is disclosed. Pre-stress is applied by external flexure structures. The provision of the external flexures has numerous advantages including the elimination of the need for a pre-stress bolt. The removal of the pre-stress bolt eliminates potential internal electric discharge points in the actuator. In addition, it reduces the chances of mechanical failure in the actuator stacks that result from the free surface in the hole of conventional ring stacks. In addition, the removal of the stress bolt and the corresponding reduction in the overall number of parts reduces the overall complexity of the resulting ultrasonic horn actuator and simplifies the ease of the design, fabrication and integration of the actuator of the present invention into other structures.

Sherrit, Stewart↗

Monolithic Flexure Pre-Stressed Ultrasonic Horns

A monolithic ultrasonic horn where the horn, backing, and pre-stress structures are combined in a single monolithic piece is disclosed. Pre-stress is applied by external flexure structures. The provision of the external flexures has numerous advantages including the elimination of the need for a pre-stress bolt. The removal of the pre-stress bolt eliminates potential internal electric discharge points in the actuator. In addition, it reduces the chances of mechanical failure in the actuator stacks that result from the free surface in the hole of conventional ring stacks. In addition, the removal of the stress bolt and the corresponding reduction in the overall number of parts reduces the overall complexity of the resulting ultrasonic horn actuator and simplifies the ease of the design, fabrication and integration of the actuator of the present invention into other structures.

Sherrit, Stewart↗

Substituent effect on napthodithiophene-fused porphyrins: Understanding the unusual trend of fluorescence quantum yield quenching

A series of π-extended porphyrins containing thiophene units was prepared to investigate an unusual trend observed in the fluorescence quantum yield of naphtho[2,1-b:3,4-b']dithiophene-fused porphyrins. Monobenzoporphyrins carrying 2-thiophenyl (vinyl thiophene porphyrin) groups (2VTP, 2VTBr and Br2VTP) (numbering 2 and 3 refers to the position of sulfur on the thiophene ring) were synthesized through a Heck-based cascade reaction followed by a newly developed bromination method. These were converted to naphtho[2,1-b:3,4-b']dithiophene-fused porphyrin derivatives (FBr2VTP and F2VTBr) via ring closure with an intramolecular Scholl reaction. Increasingly larger Stokes shifts with a higher number of bromo groups were observed in the unfused π-extended molecular systems, reflecting the heavy atom effect. Fluorescence spectroscopy further confirmed the unusual trend seen in the previous work: structural rigidification in naphtho[2,1-b:3,4-b']dithiophene-fused porphyrins leads to longer fluorescence lifetimes but unexpectedly lowers the quantum yield. Adding one bromo group to the naphtho[2,1-b:3,4-b']dithiophene unit does not change this trend. Furthermore, the presence of two bromo groups prevents the quantum yield from dropping. DFT, TDDFT, and NICS analyses suggest a drastic change in aromaticity in the pyrrole ring where the naphtho[2,1-b:3,4-b']dithiophene is fused in FBr2VTP, which might contribute to the quantum yield reductions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The structure and evolution of ancient impact basins on Mars

It is pointed out that characteristic styles of degradation and modification of obvious Martian basins make it possible to recognize more subtle expressions. This approach is seen as providing not only additional basins to the existing inventory but also fundamental clues for initial impact basin structure and stratigraphy. It also reveals the long-lasting influence of basin formation on the crust of Mars in spite of extensive erosion and resurfacing. Consideration is given to five clear examples of modified impact basins, and regions around each that have undergone similar processes (fracturing, collapse, channeling) are delineated. These processes among the different basins are then compared, and similar zones of modification are correlated with concentric basin rings. Consideration is then given to the implications of these observations for current models of basin formation and to the role of impact basins in controlling regional tectonics. The results indicate that large multiring impact scars leave a major but sometimes subtle imprint on the geologic structure of stable crustal regions on Mars.

Schultz, P. H.↗

Crystal structure of MbnF: an NADPH-dependent flavin monooxygenase from Methylocystis strain SB2

Methanobactins (MBs) are ribosomally produced and post-translationally modified peptides (RiPPs) that are used by methanotrophs for copper acquisition. The signature post-translational modification of MBs is the formation of two heterocyclic groups, either an oxazolone, pyrazinedione or imidazolone group, with an associated thioamide from an X -Cys dipeptide. The precursor peptide (MbnA) for MB formation is found in a gene cluster of MB-associated genes. The exact biosynthetic pathway of MB formation is not yet fully understood, and there are still uncharacterized proteins in some MB gene clusters, particularly those that produce pyrazinedione or imidazolone rings. One such protein is MbnF, which is proposed to be a flavin monooxygenase (FMO) based on homology. To help to elucidate its possible function, MbnF from Methylocystis sp. strain SB2 was recombinantly produced in Escherichia coli and its X-ray crystal structure was resolved to 2.6 Å resolution. Based on its structural features, MbnF appears to be a type A FMO, most of which catalyze hydroxylation reactions. Preliminary functional characterization shows that MbnF preferentially oxidizes NADPH over NADH, supporting NAD(P)H-mediated flavin reduction, which is the initial step in the reaction cycle of several type A FMO enzymes. It is also shown that MbnF binds the precursor peptide for MB, with subsequent loss of the leader peptide sequence as well as the last three C-terminal amino acids, suggesting that MbnF might be needed for this process to occur. Finally, molecular-dynamics simulations revealed a channel in MbnF that is capable of accommodating the core MbnA fragment minus the three C-terminal amino acids.

59 BASIC BIOLOGICAL SCIENCES↗

Structural Modeling of a Five-Meter Thin Film Inflatable Antenna/Concentrator With Rigidized Support Struts

Dynamic characterization of a non-rigidized thin film inflatable antenna/solar concentrator structure with rigidized composite support struts is described in detail. A two-step finite element modeling approach in MSC/NASTRAN is utilized, consisting of: (1) a nonlinear static pressurization procedure used to obtain the updated stiffness matrix, and (2) a modal "restart" eigen solution that uses the modified stiffness matrix. Unique problems encountered in modeling of this large 5-m lightweight inflatable are identified, including considerable difficulty in obtaining convergence in the nonlinear pressurization solution. It was found that the extremely thin polyimide film material (.001 in or I mil) presents tremendous problems in obtaining a converged solution when internal pressure loading is applied. It was concluded that the ratios of film thickness to other geometric dimensions such as torus cross-sectional and ring diameter and lenticular diameter are the critical parameters for convergence of the pressurization procedure. Comparison of finite element predictions for frequency and mode shapes with experimental results indicated reasonable agreement considering the complexity of the structure, the film-to-air interaction, and the nonlinear material properties of the film. It was also concluded that analysis should be done using different finite element to codes to determine if a more robust and stable solution can be obtained.

Smalley, Kurt B.↗

Experimental Investigation of a Graphite-Composite Intertank Section for a Reusable Launch Vehicle

The use of graphite-composites as primary structure is essential for the development of a cost effective single-stage-to-orbit reusable launch vehicle (RLV). A full-scale segment of a graphite-composite intertank was designed and fabricated by an industry team and tested at NASA Langley Research Center as a part of the RLV technology development program. The intertank test component was approximately 3.0 m long by 6.7 m wide and included slightly less than a 90deg section of a cylindrical intertank. The test article was fabricated using graphite-bismaelimide composite material and consisted of a hat-stiffened skin with five ring frames. The stiffeners were secondarily bonded to the panel skin and the ring frames were mechanically attached. The test article was loaded to failure with a uniform compression load applied by 21 individually controlled hydraulic actuators. Resistance strain gages, linear variable differential transformers and video cameras were used to measure and record the test results. A linear f d t e element analysis of the test article and test fixture was performed. The test results verified the structural integrity cf the intertank test article up to the design limit load. However, the test article failed in general skin buckling between the ring frames at a load 1.08 times design limit load. This load was considerably lower than the expected failure load. The cause of premature failure is being investigated. Good correlation of the test and analysis results was obtained for loads up to the design limit load.

Sawyer, James Wayne↗

Müllerian mimicry and the coloration patterns of sympatric coral snakes

Abstract Coral snakes in the genus Micrurus are venomous, aposematic organisms that signal danger to predators through vivid coloration. Previous studies found that they serve as models to several harmless species of Batesian mimics. However, the extent to which Micrurus species engage in Müllerian mimicry remains poorly understood. We integrate detailed morphological and geographical distribution data to investigate if coral snakes are Müllerian mimics. We found that coloration is spatially structured and that Micrurus species tend to be more similar where they co-occur. Though long supposed, we demonstrate for the first time that coral snakes might indeed be Müllerian mimics as they show some convergence in coloration patterns. Additionally, we found that the length of red-coloured rings in Micrurus is conserved, even at large geographic scales. This finding suggests that bright red rings may be under more substantial stabilizing selection than other aspects of coloration and probably function as a generalized signal for deterring predators.

Evolutionary Biology↗

Investigation of structural effects of aromatic compounds on sooting tendency with mechanistic insight into ethylphenol isomers

Small aromatic molecules with oxygen-containing functional groups are a promising class of fuel additives, as they can be readily sourced from depolymerized lignin. These oxygenated aromatic compounds (OACs) show a lower sooting tendency than aromatic hydrocarbons, but OACs having alkyl groups such as ethylphenol show a higher sooting tendency than other OACs such as phenol and anisole, despite the oxygen moiety. In this study, we investigate the relationship between chemical structure and soot precursor formation to explain observed differences in the sooting tendency of OACs and to gain insight into how alkyl or oxygenated substituents on the aromatic ring affect soot precursor formation. The weakest bond for 15 aromatic compounds was identified and cleavage of these bonds was shown to generate either benzyl or phenoxy radicals. A linear relationship between standard enthalpy of formation (ΔH f o ) of these radicals and the yield sooting index (YSI) was found, and thus ΔH f ° can be applied as a metric to estimate YSIs of various aromatic compounds; higher ΔH f o of a radical indicates an increase in the radical reactivity and leads to more soot precursor formation. Flow reactor experiments were performed for 2-ethylphenol and 3-ethylphenol to elucidate how ortho and meta substitution effects the sooting tendency. Soot precursors were identified from the experiment and their formation pathways were investigated computationally. 2-ethylphenol produces more oxygenated products than 3-ethylphenol since the ortho position has increased resonance stabilization of radical intermediates, which leads to lower YSI. Overall, these results further inform the selection of potential biomass-derived fuel blendstocks that have favorable sooting tendencies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A High Energy X-ray Diffraction Study of Amorphous Indomethacin

Amorphous pharmaceuticals often possess a wide range of molecular conformations and bonding arrangements. The x-ray pair distribution function (PDF) method is a powerful technique for the characterization of variations in both intra-molecular and inter-molecular packing arrangements. Here, the x-ray PDF of amorphous Indomethacin is shown to be particularly sensitive to the preferred orientations of the chlorobenzyl ring found in isomers in the crystalline state. In some cases, the chlorobenzyl ring has no preferred torsional angle in the amorphous form, while in others evidence of distinct isomer orientations are observed. Amorphous samples with no preferred torsion angles of the chlorobenzyl ring are found to favor enhanced inter-molecular hydrogen bonding, and this is reflected in the intensity of the first sharp diffraction peak. These significant variations in structure rule out amorphous Indomethacin as a possible standard for x-ray PDF measurements. At high humidity, time resolved PDF's for >40 h reveal water molecules forming hydrogen bonds with Indomethacin molecules. Finally, a simple linear hydrogen bond model indicates that water molecules in the wet amorphous form have similar hydrogen bond strengths to those found between Indomethacin dimers or chains in the dry amorphous form.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗