Sample records for engineering structures iii

  1. VIPR III VADR SPIDER Structural Design and Analysis

    NASA Technical Reports Server (NTRS)

    Li, Wesley; Chen, Tony

    2016-01-01

    In support of the National Aeronautics and Space Administration (NASA) Vehicle Integrated Propulsion Research (VIPR) Phase III team to evaluate the volcanic ash environment effects on the Pratt & Whitney F117-PW-100 turbofan engine, NASA Armstrong Flight Research Center has successfully performed structural design and analysis on the Volcanic Ash Distribution Rig (VADR) and the Structural Particulate Integration Device for Engine Research (SPIDER) for the ash ingestion test. Static and dynamic load analyses were performed to ensure no structural failure would occur during the test. Modal analysis was conducted, and the results were used to develop engine power setting avoidance zones. These engine power setting avoidance zones were defined to minimize the dwell time when the natural frequencies of the VADR/SPIDER system coincided with the excitation frequencies of the engine which was operating at various revolutions per minute. Vortex-induced vibration due to engine suction air flow during the ingestion test was also evaluated, but was not a concern.

  2. Security Quality Requirements Engineering (SQUARE): Case Study Phase III

    DTIC Science & Technology

    2006-05-01

    Security Quality Requirements Engineering (SQUARE): Case Study Phase III Lydia Chung Frank Hung Eric Hough Don Ojoko-Adams Advisor...Engineering (SQUARE): Case Study Phase III CMU/SEI-2006-SR-003 Lydia Chung Frank Hung Eric Hough Don Ojoko-Adams Advisor Nancy R. Mead...1 1.1 The SQUARE Process ............................................................................... 1 1.2 Case Study Clients

  3. Evolution of corundum-structured III-oxide semiconductors: Growth, properties, and devices

    NASA Astrophysics Data System (ADS)

    Fujita, Shizuo; Oda, Masaya; Kaneko, Kentaro; Hitora, Toshimi

    2016-12-01

    The recent progress and development of corundum-structured III-oxide semiconductors are reviewed. They allow bandgap engineering from 3.7 to ∼9 eV and function engineering, leading to highly durable electronic devices and deep ultraviolet optical devices as well as multifunctional devices. Mist chemical vapor deposition can be a simple and safe growth technology and is advantageous for reducing energy and cost for the growth. This is favorable for the wide commercial use of devices at low cost. The III-oxide semiconductors are promising candidates for new devices contributing to sustainable social, economic, and technological development for the future.

  4. Structural Engineering: Overview

    NASA Technical Reports Server (NTRS)

    Castro, Edgar

    2011-01-01

    This slide presentation presents the work of the Structural Engineering Division of the Engineering Directorate. The work includes: providing technical expertise and leadership for the development, evaluation, and operation of structural, mechanical, and thermal spaceflight systems.

  5. Computational structural mechanics for engine structures

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.

    1989-01-01

    The computational structural mechanics (CSM) program at Lewis encompasses: (1) fundamental aspects for formulating and solving structural mechanics problems, and (2) development of integrated software systems to computationally simulate the performance/durability/life of engine structures. It is structured to mainly supplement, complement, and whenever possible replace, costly experimental efforts which are unavoidable during engineering research and development programs. Specific objectives include: investigate unique advantages of parallel and multiprocesses for: reformulating/solving structural mechanics and formulating/solving multidisciplinary mechanics and develop integrated structural system computational simulators for: predicting structural performances, evaluating newly developed methods, and for identifying and prioritizing improved/missing methods needed. Herein the CSM program is summarized with emphasis on the Engine Structures Computational Simulator (ESCS). Typical results obtained using ESCS are described to illustrate its versatility.

  6. Development of Cryogenic Engine for GSLV MkIII: Technological Challenges

    NASA Astrophysics Data System (ADS)

    Praveen, RS; Jayan, N.; Bijukumar, KS; Jayaprakash, J.; Narayanan, V.; Ayyappan, G.

    2017-02-01

    Cryogenic engine capable of delivering 200 kN thrust is being developed for the first time in the country by ISRO for powering the upper stage of GSLV Mk-III, the next generation launch vehicle of ISRO capable of launching four tonne class satellites to Geo-synchronous Transfer Orbit(GTO). Development of this engine started a decade ago when various sub-systems development and testing were taken up. Starting with injector element development, the design, realization and testing of the major sub-systems viz the gas generator, turbopumps, start-up system and thrust chamber have been successfully done in a phased manner before conducting a series of developmental tests in the integrated engine mode. Apart from the major sub-systems, many critical components like the igniter, control components etc were independently developed and qualified. During the development program many challenges were faced in almost all areas of propulsion engineering. Systems engineering of the engine was another key challenge in the realization. This paper gives an outlook on various technological challenges faced in the key areas related to the engine development, insight to the solutions and measures taken to overcome the challenges.

  7. Structure and magnetism of a Mn(III)-Mn(II)-Mn(II)-Mn(III) chain complex.

    PubMed

    Uhrecký, Róbert; Moncoľ, Ján; Koman, Marian; Titiš, Ján; Boča, Roman

    2013-07-14

    A novel tetranuclear manganese(II/III) complex with anions of pyridine-2,6-dicarboxylic acid (dipicolinic acid) has been synthesised and magneto-structurally characterised. The crystal structure of [Mn(II)2Mn(III)2(dipic)6(H2O)4]·2CH3OH·4H2O has been determined by single-crystal X-ray diffraction. The tetranuclear complex molecule [Mn(II)2Mn(III)2(dipic)6(H2O)4] is centrosymmetric and two manganese(II) and two manganese(III) atoms are bridged by four dipicolinate ligands. The complex molecules and uncoordinated water and methanol molecules are connected through hydrogen bonds and they form a 3D supramolecular hydrogen-bonding network.

  8. The crystal structure of calcite III

    NASA Astrophysics Data System (ADS)

    Smyth, Joseph R.; Ahrens, Thomas J.

    The crystal structure of calcite III has been deduced from existing high pressure powder X-ray diffraction patterns, based on the assumption that it is a displacive modification of the calcite I structure. The structure is monoclinic with space group C2 and a Z of 6. There are two Ca and two C positions, and five O positions, and atom coordinates have been refined by distance-least-squares methods to give reasonable octahedral coordination for Ca and parallel, planar CO3 groups. Unit cell parameters refined from a published powder diffraction pattern at 4.1 GPa are: a = 8.746(8)Å b = 4.685(5)Å c = 8.275(8)Å and β= 94.4°. The structure has a calculated density of 2.949 Mg/m³ at 4.1 GPa which is less than that of aragonite at this pressure and consistent with early piston cylinder studies. This implies that calcite III is indeed a metastable intermediary between calcite I and aragonite.

  9. Structural Characterization of Am(III)- and Pu(III)-DOTA Complexes.

    PubMed

    Audras, Matthieu; Berthon, Laurence; Berthon, Claude; Guillaumont, Dominique; Dumas, Thomas; Illy, Marie-Claire; Martin, Nicolas; Zilbermann, Israel; Moiseev, Yulia; Ben-Eliyahu, Yeshayahu; Bettelheim, Armand; Cammelli, Sebastiano; Hennig, Christoph; Moisy, Philippe

    2017-10-16

    The complexation of 1,4,7,10-tetrazacyclodecane-1,4,7,10-tetraacetic acid (DOTA) ligand with two trivalent actinides (Am 3+ and Pu 3+ ) was investigated by UV-visible spectrophotometry, NMR spectroscopy, and extended X-ray absorption fine structure in conjunction with computational methods. The complexation process of these two cations is similar to what has been previously observed with lanthanides(III) of similar ionic radius. The complexation takes place in different steps and ends with the formation of a (1:1) complex [(An(III)DOTA)(H 2 O)] - , where the cation is bonded to the nitrogen atoms of the ring, the four carboxylate arms, and a water molecule to complete the coordination sphere. The formation of An(III)-DOTA complexes is faster than the Ln(III)-DOTA systems of equivalent ionic radius. Furthermore, it is found that An-N distances are slightly shorter than Ln-N distances. Theoretical calculations showed that the slightly higher affinity of DOTA toward Am over Nd is correlated with slightly enhanced ligand-to-metal charge donation arising from oxygen and nitrogen atoms.

  10. Chromium(iii) oxidation by biogenic manganese oxides with varying structural ripening.

    PubMed

    Tang, Yuanzhi; Webb, Samuel M; Estes, Emily R; Hansel, Colleen M

    2014-09-20

    Manganese (Mn) oxides, which are generally considered biogenic in origin within natural systems, are the only oxidants of Cr(iii) under typical environmental conditions. Yet the influence of Mn biooxide mineral structural evolution on Cr(iii) oxidation under varying geochemical conditions is unknown. In this study we examined the role of light, organic carbon, pH, and the structure of biogenic Mn oxides on Cr(iii) oxidation. Aging of Mn oxides produced by a marine bacterium within the widespread Roseobacter clade resulted in structural ripening from a colloidal hexagonal to a particulate triclinic birnessite phase. The structurally diverse Mn oxides were then reacted with aqueous Cr(iii) within artificial seawater in the presence or absence of carbon and light. Here we found that Cr(iii) oxidation capacity was highest at near neutral pH and in the combined presence of carbon and light. Mn oxide ripening from a hexagonal to a triclinic birnessite phase led to decreased Cr(iii) oxidation in the presence of carbon and light, whereas no change in reactivity was observed in the absence of carbon and/or in the dark. As only minimal Cr(iii) oxidation was observed in the absence of Mn oxides, these results strongly point to coupled Mn oxide- and photo-induced generation of organic and/or oxygen radicals involved in Cr(iii) oxidation. Based on Mn oxide concentration and structural trends, we postulate that Mn(ii) produced from the oxidation of Cr(iii) by the primary Mn oxide is recycled in the presence of organics and light conditions, (re)generating secondary hexagonal birnessite and thereby allowing for continuous oxidation of Cr(iii). In the absence of this Mn oxide regeneration, Cr(iii) induced structural ripening of the hexagonal birnessite precludes further Cr(iii) oxidation. These results highlight the complexity of reactions involved in Mn oxide mediated Cr(iii) oxidation and suggest that photochemical carbon reactions are requisite for sustained Cr(iii) oxidation

  11. Integrated analysis of engine structures

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.

    1981-01-01

    The need for light, durable, fuel efficient, cost effective aircraft requires the development of engine structures which are flexible, made from advaced materials (including composites), resist higher temperatures, maintain tighter clearances and have lower maintenance costs. The formal quantification of any or several of these requires integrated computer programs (multilevel and/or interdisciplinary analysis programs interconnected) for engine structural analysis/design. Several integrated analysis computer prorams are under development at Lewis Reseach Center. These programs include: (1) COBSTRAN-Composite Blade Structural Analysis, (2) CODSTRAN-Composite Durability Structural Analysis, (3) CISTRAN-Composite Impact Structural Analysis, (4) STAEBL-StruTailoring of Engine Blades, and (5) ESMOSS-Engine Structures Modeling Software System. Three other related programs, developed under Lewis sponsorship, are described.

  12. Engine Structures Modeling Software System (ESMOSS)

    NASA Technical Reports Server (NTRS)

    1991-01-01

    Engine Structures Modeling Software System (ESMOSS) is the development of a specialized software system for the construction of geometric descriptive and discrete analytical models of engine parts, components, and substructures which can be transferred to finite element analysis programs such as NASTRAN. The NASA Lewis Engine Structures Program is concerned with the development of technology for the rational structural design and analysis of advanced gas turbine engines with emphasis on advanced structural analysis, structural dynamics, structural aspects of aeroelasticity, and life prediction. Fundamental and common to all of these developments is the need for geometric and analytical model descriptions at various engine assembly levels which are generated using ESMOSS.

  13. Probabilistic structural analysis methods of hot engine structures

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.; Hopkins, D. A.

    1989-01-01

    Development of probabilistic structural analysis methods for hot engine structures at Lewis Research Center is presented. Three elements of the research program are: (1) composite load spectra methodology; (2) probabilistic structural analysis methodology; and (3) probabilistic structural analysis application. Recent progress includes: (1) quantification of the effects of uncertainties for several variables on high pressure fuel turbopump (HPFT) turbine blade temperature, pressure, and torque of the space shuttle main engine (SSME); (2) the evaluation of the cumulative distribution function for various structural response variables based on assumed uncertainties in primitive structural variables; and (3) evaluation of the failure probability. Collectively, the results demonstrate that the structural durability of hot engine structural components can be effectively evaluated in a formal probabilistic/reliability framework.

  14. Biotinylated Rh(III) complexes in engineered streptavidin for accelerated asymmetric C-H activation.

    PubMed

    Hyster, Todd K; Knörr, Livia; Ward, Thomas R; Rovis, Tomislav

    2012-10-26

    Enzymes provide an exquisitely tailored chiral environment to foster high catalytic activities and selectivities, but their native structures are optimized for very specific biochemical transformations. Designing a protein to accommodate a non-native transition metal complex can broaden the scope of enzymatic transformations while raising the activity and selectivity of small-molecule catalysis. Here, we report the creation of a bifunctional artificial metalloenzyme in which a glutamic acid or aspartic acid residue engineered into streptavidin acts in concert with a docked biotinylated rhodium(III) complex to enable catalytic asymmetric carbon-hydrogen (C-H) activation. The coupling of benzamides and alkenes to access dihydroisoquinolones proceeds with up to nearly a 100-fold rate acceleration compared with the activity of the isolated rhodium complex and enantiomeric ratios as high as 93:7.

  15. Nucleosome Positioning and NDR Structure at RNA Polymerase III Promoters

    NASA Astrophysics Data System (ADS)

    Helbo, Alexandra Søgaard; Lay, Fides D.; Jones, Peter A.; Liang, Gangning; Grønbæk, Kirsten

    2017-02-01

    Chromatin is structurally involved in the transcriptional regulation of all genes. While the nucleosome positioning at RNA polymerase II (pol II) promoters has been extensively studied, less is known about the chromatin structure at pol III promoters in human cells. We use a high-resolution analysis to show substantial differences in chromatin structure of pol II and pol III promoters, and between subtypes of pol III genes. Notably, the nucleosome depleted region at the transcription start site of pol III genes extends past the termination sequences, resulting in nucleosome free gene bodies. The +1 nucleosome is located further downstream than at pol II genes and furthermore displays weak positioning. The variable position of the +1 location is seen not only within individual cell populations and between cell types, but also between different pol III promoter subtypes, suggesting that the +1 nucleosome may be involved in the transcriptional regulation of pol III genes. We find that expression and DNA methylation patterns correlate with distinct accessibility patterns, where DNA methylation associates with the silencing and inaccessibility at promoters. Taken together, this study provides the first high-resolution map of nucleosome positioning and occupancy at human pol III promoters at specific loci and genome wide.

  16. Computational Infrastructure for Engine Structural Performance Simulation

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.

    1997-01-01

    Select computer codes developed over the years to simulate specific aspects of engine structures are described. These codes include blade impact integrated multidisciplinary analysis and optimization, progressive structural fracture, quantification of uncertainties for structural reliability and risk, benefits estimation of new technology insertion and hierarchical simulation of engine structures made from metal matrix and ceramic matrix composites. Collectively these codes constitute a unique infrastructure readiness to credibly evaluate new and future engine structural concepts throughout the development cycle from initial concept, to design and fabrication, to service performance and maintenance and repairs, and to retirement for cause and even to possible recycling. Stated differently, they provide 'virtual' concurrent engineering for engine structures total-life-cycle-cost.

  17. Neutrino Background from Population III Stars

    NASA Astrophysics Data System (ADS)

    Iocco, Fabio

    2011-12-01

    Population III Stars (PopIII) are the first generation of stars formed from the collapse of the very first structures in the Universe. Their peculiar chemical composition (metal-free, resembling the Primordial Nucleosynthesis yields) affects their formation and evolution and makes them unusually big and hot stars. They are good candidates for the engines of Reionization of the Universe although their direct observation is extremely difficult. Here we summarize a study of their expected diffuse low-energy neutrino background flux at Earth.

  18. Computational structural mechanics engine structures computational simulator

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.

    1989-01-01

    The Computational Structural Mechanics (CSM) program at Lewis encompasses: (1) fundamental aspects for formulating and solving structural mechanics problems, and (2) development of integrated software systems to computationally simulate the performance/durability/life of engine structures.

  19. Structural Engineering Managers - Innovation Challenges for their Skills

    NASA Astrophysics Data System (ADS)

    Linkeschová, D.; Tichá, A.

    2015-11-01

    The profession of a structural engineer is highly responsible, because the consequences of a structural engineer's errors result not only in economic damage to the property and often irreversible damage to the environment, they can also lead to direct loss of lives. In the current turbulent, dynamically developing society the managerial methods of structural engineers should not stagnate at the level of the last century applications. This paper deals with the challenges which the ongoing century poses to structural engineers and managers. It compares the results of research regarding the current state of managerial skills of structural engineers in Czech building companies to the defined skills of the 21st century's managers according to the global research programme ITL Research and according to the Vision for the Future of Structural Engineering, drawn up by Structural Engineering Institute - SEI ASCE.

  20. Structural and functional characterization of two unusual endonuclease III enzymes from Deinococcus radiodurans.

    PubMed

    Sarre, Aili; Ökvist, Mats; Klar, Tobias; Hall, David R; Smalås, Arne O; McSweeney, Sean; Timmins, Joanna; Moe, Elin

    2015-08-01

    While most bacteria possess a single gene encoding the bifunctional DNA glycosylase Endonuclease III (EndoIII) in their genomes, Deinococcus radiodurans possesses three: DR2438 (DrEndoIII1), DR0289 (DrEndoIII2) and DR0982 (DrEndoIII3). Here we have determined the crystal structures of DrEndoIII1 and an N-terminally truncated form of DrEndoIII3 (DrEndoIII3Δ76). We have also generated a homology model of DrEndoIII2 and measured activity of the three enzymes. All three structures consist of two all α-helical domains, one of which exhibits a [4Fe-4S] cluster and the other a HhH-motif, separated by a DNA binding cleft, similar to previously determined structures of endonuclease III from Escherichia coli and Geobacillus stearothermophilus. However, both DrEndoIII1 and DrEndoIII3 possess an extended HhH motif with extra helical features and an altered electrostatic surface potential. In addition, the DNA binding cleft of DrEndoIII3 seems to be less accessible for DNA interactions, while in DrEndoIII1 it seems to be more open. Analysis of the enzyme activities shows that DrEndoIII2 is most similar to the previously studied enzymes, while DrEndoIII1 seems to be more distant with a weaker activity towards substrate DNA containing either thymine glycol or an abasic site. DrEndoIII3 is the most distantly related enzyme and displays no detectable activity towards these substrates even though the suggested catalytic residues are conserved. Based on a comparative structural analysis, we suggest that the altered surface potential, shape of the substrate-binding pockets and specific amino acid substitutions close to the active site and in the DNA interacting loops may underlie the unexpected differences in activity. Copyright © 2015 Elsevier Inc. All rights reserved.

  1. Computational structural mechanics for engine structures

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.

    1988-01-01

    The computational structural mechanics (CSM) program at Lewis encompasses the formulation and solution of structural mechanics problems and the development of integrated software systems to computationally simulate the performance, durability, and life of engine structures. It is structured to supplement, complement, and, whenever possible, replace costly experimental efforts. Specific objectives are to investigate unique advantages of parallel and multiprocessing for reformulating and solving structural mechanics and formulating and solving multidisciplinary mechanics and to develop integrated structural system computational simulators for predicting structural performance, evaluating newly developed methods, and identifying and prioritizing improved or missing methods.

  2. Computational structural mechanics for engine structures

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.

    1989-01-01

    The computational structural mechanics (CSM) program at Lewis encompasses the formulation and solution of structural mechanics problems and the development of integrated software systems to computationally simulate the performance, durability, and life of engine structures. It is structured to supplement, complement, and, whenever possible, replace costly experimental efforts. Specific objectives are to investigate unique advantages of parallel and multiprocessing for reformulating and solving structural mechanics and formulating and solving multidisciplinary mechanics and to develop integrated structural system computational simulators for predicting structural performance, evaluating newly developed methods, and identifying and prioritizing improved or missing methods.

  3. 46 CFR 11.505 - Engineer officer structure.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 46 Shipping 1 2010-10-01 2010-10-01 false Engineer officer structure. 11.505 Section 11.505 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY MERCHANT MARINE OFFICERS AND SEAMEN REQUIREMENTS FOR OFFICER ENDORSEMENTS Professional Requirements for Engineer Officer § 11.505 Engineer officer structure...

  4. 46 CFR 11.505 - Engineer officer structure.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 46 Shipping 1 2013-10-01 2013-10-01 false Engineer officer structure. 11.505 Section 11.505 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY MERCHANT MARINE OFFICERS AND SEAMEN REQUIREMENTS FOR OFFICER ENDORSEMENTS Professional Requirements for Engineer Officer § 11.505 Engineer officer structure...

  5. 46 CFR 11.505 - Engineer officer structure.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 46 Shipping 1 2011-10-01 2011-10-01 false Engineer officer structure. 11.505 Section 11.505 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY MERCHANT MARINE OFFICERS AND SEAMEN REQUIREMENTS FOR OFFICER ENDORSEMENTS Professional Requirements for Engineer Officer § 11.505 Engineer officer structure...

  6. 46 CFR 11.505 - Engineer officer structure.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 46 Shipping 1 2012-10-01 2012-10-01 false Engineer officer structure. 11.505 Section 11.505 Shipping COAST GUARD, DEPARTMENT OF HOMELAND SECURITY MERCHANT MARINE OFFICERS AND SEAMEN REQUIREMENTS FOR OFFICER ENDORSEMENTS Professional Requirements for Engineer Officer § 11.505 Engineer officer structure...

  7. Asymmetric ring structure of Vps4 required for ESCRT-III disassembly

    NASA Astrophysics Data System (ADS)

    Caillat, Christophe; Macheboeuf, Pauline; Wu, Yuanfei; McCarthy, Andrew A.; Boeri-Erba, Elisabetta; Effantin, Gregory; Göttlinger, Heinrich G.; Weissenhorn, Winfried; Renesto, Patricia

    2015-12-01

    The vacuolar protein sorting 4 AAA-ATPase (Vps4) recycles endosomal sorting complexes required for transport (ESCRT-III) polymers from cellular membranes. Here we present a 3.6-Å X-ray structure of ring-shaped Vps4 from Metallosphera sedula (MsVps4), seen as an asymmetric pseudohexamer. Conserved key interface residues are shown to be important for MsVps4 assembly, ATPase activity in vitro, ESCRT-III disassembly in vitro and HIV-1 budding. ADP binding leads to conformational changes within the protomer, which might propagate within the ring structure. All ATP-binding sites are accessible and the pseudohexamer binds six ATP with micromolar affinity in vitro. In contrast, ADP occupies one high-affinity and five low-affinity binding sites in vitro, consistent with conformational asymmetry induced on ATP hydrolysis. The structure represents a snapshot of an assembled Vps4 conformation and provides insight into the molecular motions the ring structure undergoes in a concerted action to couple ATP hydrolysis to ESCRT-III substrate disassembly.

  8. Double Sided Si(Ge)/Sapphire/III-Nitride Hybrid Structure

    NASA Technical Reports Server (NTRS)

    Park, Yeonjoon (Inventor); Choi, Sang Hyouk (Inventor)

    2016-01-01

    One aspect of the present invention is a double sided hybrid crystal structure including a trigonal Sapphire wafer containing a (0001) C-plane and having front and rear sides. The Sapphire wafer is substantially transparent to light in the visible and infrared spectra, and also provides insulation with respect to electromagnetic radio frequency noise. A layer of crystalline Si material having a cubic diamond structure aligned with the cubic <111> direction on the (0001) C-plane and strained as rhombohedron to thereby enable continuous integration of a selected (SiGe) device onto the rear side of the Sapphire wafer. The double sided hybrid crystal structure further includes an integrated III-Nitride crystalline layer on the front side of the Sapphire wafer that enables continuous integration of a selected III-Nitride device on the front side of the Sapphire wafer.

  9. Synthesis, structure, and magnetic characterization of a C3-symmetric Mn(III)3Cr(III) assembly: molecular recognition between a trinuclear Mn(III) triplesalen complex and a fac-triscyano Cr(III) complex.

    PubMed

    Freiherr von Richthofen, Carl-Georg; Stammler, Anja; Bögge, Hartmut; DeGroot, Marty W; Long, Jeffrey R; Glaser, Thorsten

    2009-11-02

    The reaction of the tris(tetradentate) triplesalen ligand H(6)talen(t-Bu(2)), which provides three salen-like coordination environments bridged in a meta-phenylene arrangement by a phloroglucinol backbone, with Mn(II) salts under aerobic conditions, affords, in situ, the trinuclear Mn(III) triplesalen complex [(talen(t-Bu(2))){Mn(III)(solv)(n)}(3)](3+). This species then reacts with [(Me(3)tacn)Cr(CN)(3)] to form the tetranuclear complex [{(talen(t-Bu(2)))Mn(III)(3)}{(Me(3)tacn)Cr(CN)(3)}](3+) ([Mn(III)(3)Cr(III)](3+)). The regular ligand folding observed in the trinuclear triplesalen complex preorganizes the three metal ions for the reaction with three facially coordinated nitrogen atoms of [(Me(3)tacn)Cr(CN)(3)]. [{(talen(t-Bu(2)))(Mn(III)(MeOH))(3)}{(Me(3)tacn)Cr(CN)(3)}](ClO(4))(3) (1) was characterized by infrared spectroscopy, elemental analysis, mass spectrometry, electron absorption spectroscopy, and magnetic measurements. The molecular structure was established for the acetate-substituted derivative [{(talen(t-Bu(2)))(Mn(III)(MeOH))(2)(Mn(III)(OAc))}{(Me(3)tacn)Cr(CN)(3)}](ClO(4))(2) (2) by single-crystal X-ray diffraction. Variable-temperature-variable-field and mu(eff) versus T magnetic data have been analyzed in detail by full-matrix diagonalization of the appropriate spin-Hamiltonian, consisting of isotropic exchange, zero-field splitting, and Zeeman interaction components. Satisfactory reproduction of the experimental data has been obtained for the parameters J(Mn-Cr) = -0.12 +/- 0.04 cm(-1), J(Mn-Mn) = -0.70 +/- 0.03 cm(-1), and D(Mn) = -3.0 +/- 0.4 cm(-1). These generate a triply degenerate pseudo S(t) = 7/2 spin manifold, which cannot be appropriately described by a giant spin model and which exhibits a weak easy-axis magnetic anisotropy. This is corroborated by the onset of a frequency-dependent chi'' signal at low temperatures, demonstrating a slow relaxation of the magnetization indicative of 1 being a single-molecule magnet. Comparing the

  10. 14 CFR 33.23 - Engine mounting attachments and structure.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Engine mounting attachments and structure... mounting attachments and structure. (a) The maximum allowable limit and ultimate loads for engine mounting attachments and related engine structure must be specified. (b) The engine mounting attachments and related...

  11. Engineering craniofacial structures: facing the challenge.

    PubMed

    Zaky, S H; Cancedda, R

    2009-12-01

    The human innate regenerative ability is known to be limited by the intensity of the insult together with the availability of progenitor cells, which may cause certain irreparable damage. It is only recently that the paradigm of tissue engineering found its way to the treatment of irreversibly affected body structures with the challenge of reconstructing the lost part. In the current review, we underline recent trials that target engineering of human craniofacial structures, mainly bone, cartilage, and teeth. We analyze the applied engineering strategies relative to the selection of cell types to lay down a specific targeted tissue, together with their association with an escorting scaffold for a particular engineered site, and discuss their necessity to be sustained by growth factors. Challenges and expectations for facial skeletal engineering are discussed in the context of future treatment.

  12. Investigating the Structure of the WJ-III Cognitive at School Age

    ERIC Educational Resources Information Center

    Dombrowski, Stefan C.

    2013-01-01

    During its development, the Woodcock-Johnson, Third Edition Cognitive (WJ-III Cognitive; McGrew & Woodcock, 2001) was never subjected to structural analysis using exploratory and higher order factor analyses. Instead, confirmatory factor analyses were conducted on separate sets of WJ-III correlation matrices, yielding a seven-factor model…

  13. Structural and electronic properties of monolayer group III monochalcogenides

    NASA Astrophysics Data System (ADS)

    Demirci, S.; Avazlı, N.; Durgun, E.; Cahangirov, S.

    2017-03-01

    We investigate the structural, mechanical, and electronic properties of the two-dimensional hexagonal structure of group III-VI binary monolayers, M X (M =B , Al, Ga, In and X =O , S, Se, Te) using first-principles calculations based on the density functional theory. The structural optimization calculations and phonon spectrum analysis indicate that all of the 16 possible binary compounds are thermally stable. In-plane stiffness values cover a range depending on the element types and can be as high as that of graphene, while the calculated bending rigidity is found to be an order of magnitude higher than that of graphene. The obtained electronic band structures show that M X monolayers are indirect band-gap semiconductors. The calculated band gaps span a wide optical spectrum from deep ultraviolet to near infrared. The electronic structure of oxides (M O ) is different from the rest because of the high electronegativity of oxygen atoms. The dispersions of the electronic band edges and the nature of bonding between atoms can also be correlated with electronegativities of constituent elements. The unique characteristics of group III-VI binary monolayers can be suitable for high-performance device applications in nanoelectronics and optics.

  14. Military engine computational structures technology

    NASA Technical Reports Server (NTRS)

    Thomson, Daniel E.

    1992-01-01

    Integrated High Performance Turbine Engine Technology Initiative (IHPTET) goals require a strong analytical base. Effective analysis of composite materials is critical to life analysis and structural optimization. Accurate life prediction for all material systems is critical. User friendly systems are also desirable. Post processing of results is very important. The IHPTET goal is to double turbine engine propulsion capability by the year 2003. Fifty percent of the goal will come from advanced materials and structures, the other 50 percent will come from increasing performance. Computer programs are listed.

  15. Chemistry Characterization of Jet Aircraft Engine Particulate by XPS: Results from APEX III

    NASA Technical Reports Server (NTRS)

    Vander Wal, Randy L.; Bryg, Victoria M.

    2014-01-01

    This paper reports XPS analysis of jet exhaust particulate from a B737, Lear, ERJ, and A300 aircraft during the APEX III NASA led field campaign. Carbon hybridization and bonding chemistry are identified by high-resolution scans about the C1s core-shell region. Significant organic content as gauged by the sp3/sp2 ratio is found across engines and platforms. Polar oxygen functional groups include carboxylic, carbonyl and phenol with combined content of 20 percent or more. By lower resolution survey scans various elements including transition metals are identified along with lighter elements such as S, N, and O in the form of oxides. Burning additives within lubricants are probable sources of Na, Ba, Ca, Zn, P and possibly Sn. Elements present and their percentages varied significantly across all engines, not revealing any trend or identifiable cause for the differences, though the origin is likely the same for the same element when observed. This finding suggests that their presence can be used as a tracer for identifying soots from aircraft engines as well as diagnostic for monitoring engine performance and wear.

  16. Unsymmetrical Bimetallic Complexes with MII–(μ-OH)–MII Cores (MIIMIII = FeIIFeIII, MnIIFeIII, MnIIMnIII): Structural, Magnetic, and Redox Properties

    PubMed Central

    Sano, Yohei; Weitz, Andrew C.; Ziller, Joseph W.; Hendrich, Michael P.; Borovik, A.S.

    2013-01-01

    Heterobimetallic cores are important unit within the active sites of metalloproteins, but are often difficult to duplicate in synthetic systems. We have developed a synthetic approach for the preparation of a complex with a MnII–(μ-OH)–FeIII core, in which the metal centers have different coordination environments. Structural and physical data support the assignment of this complex as a heterobimetallic system. Comparison with the analogous homobimetallic complexes, those containing MnII–(μ-OH)–MnIII and FeII–(μ-OH)–FeIII cores, further supports this assignment. PMID:23992041

  17. Towards band structure and band offset engineering of monolayer Mo(1-x)W(x)S2 via Strain

    NASA Astrophysics Data System (ADS)

    Kim, Joon-Seok; Ahmad, Rafia; Pandey, Tribhuwan; Rai, Amritesh; Feng, Simin; Yang, Jing; Lin, Zhong; Terrones, Mauricio; Banerjee, Sanjay K.; Singh, Abhishek K.; Akinwande, Deji; Lin, Jung-Fu

    2018-01-01

    Semiconducting transition metal dichalcogenides (TMDs) demonstrate a wide range of optoelectronic properties due to their diverse elemental compositions, and are promising candidates for next-generation optoelectronics and energy harvesting devices. However, effective band offset engineering is required to implement practical structures with desirable functionalities. Here, we explore the pressure-induced band structure evolution of monolayer WS2 and Mo0.5W0.5S2 using hydrostatic compressive strain applied in a diamond anvil cell (DAC) apparatus and theoretical calculations, in order to study the modulation of band structure and explore the possibility of band alignment engineering through different compositions. Higher W composition in Mo(1-x)W(x)S2 contributes to a greater pressure-sensitivity of direct band gap opening, with a maximum value of 54 meV GPa-1 in WS2. Interestingly, while the conduction band minima (CBMs) remains largely unchanged after the rapid gap increase, valence band maxima (VBMs) significantly rise above the initial values. It is suggested that the pressure- and composition-engineering could introduce a wide variety of band alignments including type I, type II, and type III heterojunctions, and allow to construct precise structures with desirable functionalities. No structural transition is observed during the pressure experiments, implying the pressure could provide selective modulation of band offset.

  18. Composite mechanics for engine structures

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.

    1987-01-01

    Recent research activities and accomplishments at Lewis Research Center on composite mechanics for engine structures are summarized. The activities focused mainly on developing procedures for the computational simulation of composite intrinsic and structural behavior. The computational simulation encompasses all aspects of composite mechanics, advanced three-dimensional finite-element methods, damage tolerance, composite structural and dynamic response, and structural tailoring and optimization.

  19. Composite mechanics for engine structures

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.

    1989-01-01

    Recent research activities and accomplishments at Lewis Research Center on composite mechanics for engine structures are summarized. The activities focused mainly on developing procedures for the computational simulation of composite intrinsic and structural behavior. The computational simulation encompasses all aspects of composite mechanics, advanced three-dimensional finite-element methods, damage tolerance, composite structural and dynamic response, and structural tailoring and optimization.

  20. Reduction of structural Fe(III) in nontronite by methanogen Methanosarcina barkeri

    USGS Publications Warehouse

    Liu, D.; Dong, Hailiang H.; Bishop, M.E.; Wang, Hongfang; Agrawal, A.; Tritschler, S.; Eberl, D.D.; Xie, S.

    2011-01-01

    Clay minerals and methanogens are ubiquitous and co-exist in anoxic environments, yet it is unclear whether methanogens are able to reduce structural Fe(III) in clay minerals. In this study, the ability of methanogen Methanosarcina barkeri to reduce structural Fe(III) in iron-rich smectite (nontronite NAu-2) and the relationship between iron reduction and methanogenesis were investigated. Bioreduction experiments were conducted in growth medium using three types of substrate: H2/CO2, methanol, and acetate. Time course methane production and hydrogen consumption were measured by gas chromatography. M. barkeri was able to reduce structural Fe(III) in NAu-2 with H2/CO2 and methanol as substrate, but not with acetate. The extent of bioreduction, as measured by the 1,10-phenanthroline method, was 7-13% with H2/CO2 as substrate, depending on nontronite concentration (5-10g/L). The extent was higher when methanol was used as a substrate, reaching 25-33%. Methanogenesis was inhibited by Fe(III) reduction in the H2/CO2 culture, but enhanced when methanol was used. High charge smectite and biogenic silica formed as a result of bioreduction. Our results suggest that methanogens may play an important role in biogeochemical cycling of iron in clay minerals and may have important implications for the global methane budget. ?? 2010 Elsevier Ltd.

  1. Synthesis, structure, and properties of chromium(III) sulfates

    NASA Astrophysics Data System (ADS)

    Atkinson, Tom David; Fjellvåg, Helmer; Kjekshus, Arne

    2004-11-01

    Reactions between CrO 3 and 50- 95 wt% H2SO4 are studied at temperatures up to the boiling point of the acid. Depending on the H 2SO 4 concentration and synthesis temperature, Cr 2(SO 4) 3, CrH(SO 4) 2, (H 3O)[Cr(SO 4) 2], Cr 2(SO 4) 3·H 2SO 4·4H 2O (gross formula), and (H 5O 2)[Cr(H 2O) 2(SO 4) 2], are obtained as identified reaction products in addition to the incompletely characterized chromic-sulfuric acid. The Cr III-based sulfates are characterized by X-ray powder diffraction, thermogravimetric, and magnetic susceptibility measurements. The nuclear and magnetic structures of Cr 2(SO 4) 3 at 10 K are determined, the structure type of (H 3O)[Cr(SO 4) 2] is established, and the crystal structure of (H 5O 2)[Cr(H 2O) 2(SO 4) 2] is firmly stipulated. Magnetic susceptibility data suggest that the samples of CrH(SO 4) 2 are in a micro-crystalline rather than in an amorphous state. All Cr III-based sulfates synthesized in this study appear to undergo paramagnetic-to-antiferromagnetic transitions at around 10 K.

  2. Theoretical discovery of stable structures of group III-V monolayers: The materials for semiconductor devices

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Suzuki, Tatsuo, E-mail: dr.tatsuosuzuki@gmail.com

    Group III-V compounds are very important as the materials of semiconductor devices. Stable structures of the monolayers of group III-V binary compounds have been discovered by using first-principles calculations. The primitive unit cell of the discovered structures is a rectangle, which includes four group-III atoms and four group-V atoms. A group-III atom and its three nearest-neighbor group-V atoms are placed on the same plane; however, these connections are not the sp{sup 2} hybridization. The bond angles around the group-V atoms are less than the bond angle of sp{sup 3} hybridization. The discovered structure of GaP is an indirect transition semiconductor,more » while the discovered structures of GaAs, InP, and InAs are direct transition semiconductors. Therefore, the discovered structures of these compounds have the potential of the materials for semiconductor devices, for example, water splitting photocatalysts. The discovered structures may become the most stable structures of monolayers which consist of other materials.« less

  3. Probabilistic structural analysis methods of hot engine structures

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.; Hopkins, D. A.

    1989-01-01

    Development of probabilistic structural analysis methods for hot engine structures is a major activity at Lewis Research Center. Recent activities have focused on extending the methods to include the combined uncertainties in several factors on structural response. This paper briefly describes recent progress on composite load spectra models, probabilistic finite element structural analysis, and probabilistic strength degradation modeling. Progress is described in terms of fundamental concepts, computer code development, and representative numerical results.

  4. Structural tailoring of engine blades (STAEBL)

    NASA Technical Reports Server (NTRS)

    Platt, C. E.; Pratt, T. K.; Brown, K. W.

    1982-01-01

    A mathematical optimization procedure was developed for the structural tailoring of engine blades and was used to structurally tailor two engine fan blades constructed of composite materials without midspan shrouds. The first was a solid blade made from superhybrid composites, and the second was a hollow blade with metal matrix composite inlays. Three major computerized functions were needed to complete the procedure: approximate analysis with the established input variables, optimization of an objective function, and refined analysis for design verification.

  5. Structure and reactivity of a mononuclear non-haem iron(III)–peroxo complex

    PubMed Central

    Cho, Jaeheung; Jeon, Sujin; Wilson, Samuel A.; Liu, Lei V.; Kang, Eun A; Braymer, Joseph J.; Lim, Mi Hee; Hedman, Britt; Hodgson, Keith O.; Valentine, Joan Selverstone; Solomon, Edward I.; Nam, Wonwoo

    2012-01-01

    Oxygen-containing mononuclear iron species—iron(III)–peroxo, iron(III)–hydroperoxo and iron(IV)–oxo—are key intermediates in the catalytic activation of dioxygen by iron-containing metalloenzymes1–7. It has been difficult to generate synthetic analogues of these three active iron–oxygen species in identical host complexes, which is necessary to elucidate changes to the structure of the iron centre during catalysis and the factors that control their chemical reactivities with substrates. Here we report the high-resolution crystal structure of a mononuclear non-haem side-on iron(III)–peroxo complex, [Fe(III)(TMC)(OO)]+. We also report a series of chemical reactions in which this iron(III)–peroxo complex is cleanly converted to the iron(III)–hydroperoxo complex, [Fe(III)(TMC)(OOH)]2+, via a short-lived intermediate on protonation. This iron(III)–hydroperoxo complex then cleanly converts to the ferryl complex, [Fe(IV)(TMC)(O)]2+, via homolytic O–O bond cleavage of the iron(III)–hydroperoxo species. All three of these iron species—the three most biologically relevant iron–oxygen intermediates—have been spectroscopically characterized; we note that they have been obtained using a simple macrocyclic ligand. We have performed relative reactivity studies on these three iron species which reveal that the iron(III)–hydroperoxo complex is the most reactive of the three in the deformylation of aldehydes and that it has a similar reactivity to the iron(IV)–oxo complex in C–H bond activation of alkylaromatics. These reactivity results demonstrate that iron(III)–hydroperoxo species are viable oxidants in both nucleophilic and electrophilic reactions by iron-containing enzymes. PMID:22031443

  6. Engine-induced structural-borne noise in a general aviation aircraft

    NASA Technical Reports Server (NTRS)

    Unruh, J. F.; Scheidt, D. C.; Pomerening, D. J.

    1979-01-01

    Structural borne interior noise in a single engine general aviation aircraft was studied to determine the importance of engine induced structural borne noise and to determine the necessary modeling requirements for the prediction of structural borne interior noise. Engine attached/detached ground test data show that engine induced structural borne noise is a primary interior noise source for the single engine test aircraft, cabin noise is highly influenced by responses at the propeller tone, and cabin acoustic resonances can influence overall noise levels. Results from structural and acoustic finite element coupled models of the test aircraft show that wall flexibility has a strong influence on fundamental cabin acoustic resonances, the lightweight fuselage structure has a high modal density, and finite element analysis procedures are appropriate for the prediction of structural borne noise.

  7. Structural Characterization of Sm(III)(EDTMP).

    PubMed

    Yang, Y; Pushie, M J; Cooper, D M L; Doschak, M R

    2015-11-02

    Samarium-153 ethylenediamine-N,N,N',N'-tetrakis(methylenephosphonic acid) ((153)Sm-EDTMP, or samarium lexidronam), also known by its registered trademark name Quadramet, is an approved therapeutic radiopharmaceutical used in the palliative treatment of painful bone metastases. Typically, patients with prostate, breast, or lung cancer are most likely to go on to require bone pain palliation treatment due to bone metastases. Sm(EDTMP) is a bone-seeking drug which accumulates on rapidly growing bone, thereby delivering a highly region-specific dose of radiation, chiefly through β particle emission. Even with its widespread clinical use, the structure of Sm(EDTMP) has not yet been characterized at atomic resolution, despite attempts to crystallize the complex. Herein, we prepared a 1:1 complex of the cold (stable isotope) of Sm(EDTMP) under alkaline conditions and then isolated and characterized the complex using conventional spectroscopic techniques, as well as with extended X-ray absorption fine structure (EXAFS) spectroscopy and density functional structure calculations, using natural abundance Sm. We present the atomic resolution structure of [Sm(III)(EDTMP)-8H](5-) for the first time, supported by the EXAFS data and complementary spectroscopic techniques, which demonstrate that the samarium coordination environment in solution is in agreement with the structure that has long been conjectured.

  8. Aligned poly(L-lactic-co-e-caprolactone) electrospun microfibers and knitted structure: a novel composite scaffold for ligament tissue engineering.

    PubMed

    Vaquette, Cédryck; Kahn, Cyril; Frochot, Céline; Nouvel, Cécile; Six, Jean-Luc; De Isla, Natalia; Luo, Li-Hua; Cooper-White, Justin; Rahouadj, Rachid; Wang, Xiong

    2010-09-15

    We developed a novel technique involving knitting and electrospinning to fabricate a composite scaffold for ligament tissue engineering. Knitted structures were coated with poly(L-lactic-co-e-caprolactone) (PLCL) and then placed onto a rotating cylinder and a PLCL solution was electrospun onto the structure. Highly aligned 2-microm-diameter microfibers covered the space between the stitches and adhered to the knitted scaffolds. The stress-strain tensile curves exhibited an initial toe region similar to the tensile behavior of ligaments. Composite scaffolds had an elastic modulus (150 +/- 14 MPa) similar to the modulus of human ligaments. Biological evaluation showed that cells proliferated on the composite scaffolds and they spontaneously orientated along the direction of microfiber alignment. The microfiber architecture also induced a high level of extracellular matrix secretion, which was characterized by immunostaining. We found that cells produced collagen type I and type III, two main components found in ligaments. After 14 days of culture, collagen type III started to form a fibrous network. We fabricated a composite scaffold having the mechanical properties of the knitted structure and the morphological properties of the aligned microfibers. It is difficult to seed a highly macroporous structure with cells, however the technique we developed enabled an easy cell seeding due to presence of the microfiber layer. Therefore, these scaffolds presented attractive properties for a future use in bioreactors for ligament tissue engineering. (c) 2010 Wiley Periodicals, Inc.

  9. Rhombus-shaped tetranuclear [Ln4] complexes [Ln = Dy(III) and Ho(III)]: synthesis, structure, and SMM behavior.

    PubMed

    Chandrasekhar, Vadapalli; Hossain, Sakiat; Das, Sourav; Biswas, Sourav; Sutter, Jean-Pascal

    2013-06-03

    The reaction of a new hexadentate Schiff base hydrazide ligand (LH3) with rare earth(III) chloride salts in the presence of triethylamine as the base afforded two planar tetranuclear neutral complexes: [{(LH)2Dy4}(μ2-O)4](H2O)8·2CH3OH·8H2O (1) and [{(LH)2Ho4}(μ2-O)4](H2O)8·6CH3OH·4H2O (2). These neutral complexes possess a structure in which all of the lanthanide ions and the donor atoms of the ligand remain in a perfect plane. Each doubly deprotonated ligand holds two Ln(III) ions in its two distinct chelating coordination pockets to form [LH(Ln)2](4+) units. Two such units are connected by four [μ2-O](2-) ligands to form a planar tetranuclear assembly with an Ln(III)4 core that possesses a rhombus-shaped structure. Detailed static and dynamic magnetic analysis of 1 and 2 revealed single-molecule magnet (SMM) behavior for complex 1. A peculiar feature of the χM" versus temperature curve is that two peaks that are frequency-dependent are revealed, indicating the occurrence of two relaxation processes that lead to two energy barriers (16.8 and 54.2 K) and time constants (τ0 = 1.4 × 10(-6) s, τ0 = 7.2 × 10(-7) s). This was related to the presence of two distinct geometrical sites for Dy(III) in complex 1.

  10. Correlation Between Structural, Spectroscopic, and Reactivity Properties Within a Series of Structurally Analogous Metastable Manganese(III)-Alkylperoxo Complexes

    PubMed Central

    Coggins, Michael K.; Martin-Diaconescu, Vlad; DeBeer, Serena; Kovacs, Julie A.

    2013-01-01

    Manganese–peroxos are proposed as key intermediates in a number of important biochemical and synthetic transformations. Our understanding of the structural, spectroscopic, and reactivity properties of these metastable species is limited, however, and correlations between these properties have yet to be established experimentally. Herein we report the crystallographic structures of a series of structurally related metastable Mn(III)–OOR compounds, and examine their spectroscopic and reactivity properties. The four reported Mn(III)–OOR compounds extend the number of known end-on Mn(III)–(η1-peroxos) to six. The ligand backbone is shown to alter the metal–ligand distances and modulate the electronic properties key to bonding and activation of the peroxo. The mechanism of thermal decay of these metastable species is examined via variable-temperature kinetics. Strong correlations between structural (O–O and Mn⋯Npy,quin distances), spectroscopic (E(πv*(O–O) → Mn CT band), νO–O), and kinetic (ΔH‡ and ΔS‡) parameters for these complexes provide compelling evidence for rate-limiting O–O bond cleavage. Products identified in the final reaction mixtures of Mn(III)–OOR decay are consistent with homolytic O–O bond scission. The N-heterocyclic amines and ligand backbone (Et vs Pr) are found to modulate structural and reactivity properties, and O–O bond activation is shown, both experimentally and theoretically, to track with metal ion Lewis acidity. The peroxo O–O bond is shown to gradually become more activated as the N-heterocyclic amines move closer to the metal ion causing a decrease in π-donation from the peroxo πv*(O–O) orbital. The reported work represents one of very few examples of experimentally verified relationships between structure and function. PMID:23432090

  11. Correlation between structural, spectroscopic, and reactivity properties within a series of structurally analogous metastable manganese(III)-alkylperoxo complexes.

    PubMed

    Coggins, Michael K; Martin-Diaconescu, Vlad; DeBeer, Serena; Kovacs, Julie A

    2013-03-20

    Manganese-peroxos are proposed as key intermediates in a number of important biochemical and synthetic transformations. Our understanding of the structural, spectroscopic, and reactivity properties of these metastable species is limited, however, and correlations between these properties have yet to be established experimentally. Herein we report the crystallographic structures of a series of structurally related metastable Mn(III)-OOR compounds, and examine their spectroscopic and reactivity properties. The four reported Mn(III)-OOR compounds extend the number of known end-on Mn(III)-(η(1)-peroxos) to six. The ligand backbone is shown to alter the metal-ligand distances and modulate the electronic properties key to bonding and activation of the peroxo. The mechanism of thermal decay of these metastable species is examined via variable-temperature kinetics. Strong correlations between structural (O-O and Mn···N(py,quin) distances), spectroscopic (E(πv*(O-O) → Mn CT band), ν(O-O)), and kinetic (ΔH(‡) and ΔS(‡)) parameters for these complexes provide compelling evidence for rate-limiting O-O bond cleavage. Products identified in the final reaction mixtures of Mn(III)-OOR decay are consistent with homolytic O-O bond scission. The N-heterocyclic amines and ligand backbone (Et vs Pr) are found to modulate structural and reactivity properties, and O-O bond activation is shown, both experimentally and theoretically, to track with metal ion Lewis acidity. The peroxo O-O bond is shown to gradually become more activated as the N-heterocyclic amines move closer to the metal ion causing a decrease in π-donation from the peroxo πv*(O-O) orbital. The reported work represents one of very few examples of experimentally verified relationships between structure and function.

  12. Engineering and Design: Composite Materials for Civil Engineering Structures

    DTIC Science & Technology

    1997-03-31

    the effects of acidic, salt, and fresh waters . Acidic, salt, and fresh waters are corrosive to ferrous metals. In Corps of Engineers structures, high...what is commonly called a toughened epoxy. (5) Polymeric resins will absorb moisture. Since many applications are in contact with water (at least...ultraviolet radiation. Some coatings can reduce the amount of moisture absorption by the structure. All polymeric resins will absorb water to some

  13. Effects of reactive Mn(III)-oxalate complexes on structurally intact plant cell walls

    NASA Astrophysics Data System (ADS)

    Summering, J. A.; Keiluweit, M.; Goni, M. A.; Nico, P. S.; Kleber, M.

    2011-12-01

    Lignin components in the in plant litter are commonly assumed to have longer residence times in soil than many other compounds, which are supposedly, more easily degradable. The supposed resistance of lignin compounds to decomposition is generally attributed to the complex chain of biochemical steps required to create footholds in the non-porous structure of ligno-cellulose in cell walls. Interestingly, Mn(III) complexes have shown the ability to degrade ligno-cellulose. Mn(III) chelated by ligands such as oxalate are soluble oxidizers with a high affinity for lignin structures. Here we determined (i) the formation and decay kinetics of the Mn(III)-oxalate complexes in aqueous solution and (ii) the effects that these complexes have on intact ligno-cellulose. UV/vis spectroscopy and iodometric titrations confirmed the transient nature of Mn(III)-oxalate complexes with decay rates being in the order of hours. Zinnia elegans tracheary elements - a model ligno-cellulose substrate - were treated with Mn(III)-oxalate complexes in a newly developed flow-through reactor. Soluble decomposition products released during the treatment were analyzed by GC/MS and the degree of cell integrity was measured by cell counts, pre- and post-treatment counts indicate a decrease in intact Zinnia elegans as a result of Mn(III)-treatment. GC/MS results showed the release of a multitude of solubilized lignin breakdown products from plant cell walls. We conclude that Mn(III)-oxalate complexes have the ability to lyse intact plant cells and solubilize lignin. Lignin decomposition may thus be seen as resource dependent, with Mn(III) a powerful resource that should be abundant in terrestrial characterized by frequent redox fluctuations.

  14. Large Hexadecametallic {Mn(III) -Ln(III) } Wheels: Synthesis, Structural, Magnetic, and Theoretical Characterization.

    PubMed

    Vignesh, Kuduva R; Langley, Stuart K; Moubaraki, Boujemaa; Murray, Keith S; Rajaraman, Gopalan

    2015-11-09

    The synthesis, gas sorption studies, magnetic properties, and theoretical studies of new molecular wheels of core type {Mn(III) 8 Ln(III) 8 } (Ln=Dy, Ho, Er, Y and Yb), using the ligand mdeaH2 , in the presence of ortho-toluic or benzoic acid are reported. From the seven wheels studied the {Mn8 Dy8 } and {Mn8 Y8 } analogues exhibit SMM behavior as determined from ac susceptibility experiments in a zero static magnetic field. From DFT calculations a S=16 ground state was determined for the {Mn8 Y8 } complex due to weak ferromagnetic Mn(III) -Mn(III) interactions. Ab initio CASSCF+RASSI-SO calculations on the {Mn8 Dy8 } wheel estimated the Mn(III) -Dy(III) exchange interaction as -0.1 cm(-1) . This weak exchange along with unfavorable single-ion anisotropy of Dy(III) /Mn(III) ions, however, led to the observation of SMM behavior with fast magnetic relaxation. The orientation of the g-anisotropy of the Dy(III) ions is found to be perpendicular to the plane of the wheel and this suggests the possibility of toroidal magnetic moments in the cluster. The {Mn8 Ln8 } clusters reported here are the largest heterometallic Mn(III) Ln(III) wheels and the largest {3d-4f} wheels to exhibit SMM behavior reported to date. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Crystal structure of the Yersinia type III secretion protein YscE

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Phan, Jason; Austin, Brian P.; Waugh, David S.

    2010-12-06

    The plague-causing bacterium Yersinia pestis utilizes a contact-dependent (type III) secretion system (T3SS) to transport virulence factors from the bacterial cytosol directly into the interior of mammalian cells where they interfere with signal transduction pathways that mediate phagocytosis and the inflammatory response. The type III secretion apparatus is composed of 20-25 different Yersinia secretion (Ysc) proteins. We report here the structure of YscE, the smallest Ysc protein, which is a dimer in solution. The probable mode of oligomerization is discussed.

  16. High temperature turbine engine structure

    DOEpatents

    Boyd, Gary L.

    1990-01-01

    A high temperature turbine engine includes a hybrid ceramic/metallic rotor member having ceramic/metal joint structure. The disclosed joint is able to endure higher temperatures than previously possible, and aids in controlling heat transfer in the rotor member.

  17. Method of Fabricating Double Sided Si(Ge)/Sapphire/III-Nitride Hybrid Structure

    NASA Technical Reports Server (NTRS)

    Choi, Sang Hyouk (Inventor); Park, Yeonjoon (Inventor)

    2017-01-01

    One aspect of the present invention is a double sided hybrid crystal structure including a trigonal Sapphire wafer containing a (0001) C-plane and having front and rear sides. The Sapphire wafer is substantially transparent to light in the visible and infrared spectra, and also provides insulation with respect to electromagnetic radio frequency noise. A layer of crystalline Si material having a cubic diamond structure aligned with the cubic <111> direction on the (0001) C-plane and strained as rhombohedron to thereby enable continuous integration of a selected (SiGe) device onto the rear side of the Sapphire wafer. The double sided hybrid crystal structure further includes an integrated III-Nitride crystalline layer on the front side of the Sapphire wafer that enables continuous integration of a selected III-Nitride device on the front side of the Sapphire wafer.

  18. High temperature turbine engine structure

    DOEpatents

    Boyd, Gary L.

    1991-01-01

    A high temperature turbine engine includes a rotor portion having axially stacked adjacent ceramic rotor parts. A ceramic/ceramic joint structure transmits torque between the rotor parts while maintaining coaxial alignment and axially spaced mutually parallel relation thereof despite thermal and centrifugal cycling.

  19. CAR-Engineered NK Cells Targeting Wild-Type EGFR and EGFRvIII Enhance Killing of Glioblastoma and Patient-Derived Glioblastoma Stem Cells.

    PubMed

    Han, Jianfeng; Chu, Jianhong; Keung Chan, Wing; Zhang, Jianying; Wang, Youwei; Cohen, Justus B; Victor, Aaron; Meisen, Walter H; Kim, Sung-hak; Grandi, Paola; Wang, Qi-En; He, Xiaoming; Nakano, Ichiro; Chiocca, E Antonio; Glorioso, Joseph C; Kaur, Balveen; Caligiuri, Michael A; Yu, Jianhua

    2015-07-09

    Glioblastoma (GB) remains the most aggressive primary brain malignancy. Adoptive transfer of chimeric antigen receptor (CAR)-modified immune cells has emerged as a promising anti-cancer approach, yet the potential utility of CAR-engineered natural killer (NK) cells to treat GB has not been explored. Tumors from approximately 50% of GB patients express wild-type EGFR (wtEGFR) and in fewer cases express both wtEGFR and the mutant form EGFRvIII; however, previously reported CAR T cell studies only focus on targeting EGFRvIII. Here we explore whether both wtEGFR and EGFRvIII can be effectively targeted by CAR-redirected NK cells to treat GB. We transduced human NK cell lines NK-92 and NKL, and primary NK cells with a lentiviral construct harboring a second generation CAR targeting both wtEGFR and EGFRvIII and evaluated the anti-GB efficacy of EGFR-CAR-modified NK cells. EGFR-CAR-engineered NK cells displayed enhanced cytolytic capability and IFN-γ production when co-cultured with GB cells or patient-derived GB stem cells in an EGFR-dependent manner. In two orthotopic GB xenograft mouse models, intracranial administration of NK-92-EGFR-CAR cells resulted in efficient suppression of tumor growth and significantly prolonged the tumor-bearing mice survival. These findings support intracranial administration of NK-92-EGFR-CAR cells represents a promising clinical strategy to treat GB.

  20. Molecular and electronic structure of thin films of protoporphyrin(IX)Fe(III)Cl

    NASA Astrophysics Data System (ADS)

    Snyder, Shelly R.; White, Henry S.

    1991-11-01

    Electrochemical, scanning tunneling microscopy (STM), and tunneling spectroscopy studies of the molecular and electronic properties of thin films of protoporphyrin(IX)Fe(III)Cl (abbreviated as PP(IX)Fe(III)Cl) on highly oriented pyrolytic graphite (HOPG) electrodes are reported. PP(IX)Fe(III)Cl films are prepared by two different methods: (1) adsorption, yielding an electrochemically-active film, and (2) irreversible electrooxidative polymerization, yielding an electrochemically-inactive film. STM images, in conjunction with electro-chemical results, indicate that adsorption of PP(IX)Fe(III)Cl from aqueous solutions onto freshly cleaved HOPG results in a film comprised of molecular aggregates. In contrast, films prepared by irreversible electrooxidative polymerization of PP(IX)Fe(III)Cl have a denser, highly structured morphology, including what appear to be small pinholes (approx. 50A diameter) in an otherwise continuous film.

  1. On the design and structural analysis of jet engine fan blade structures

    NASA Astrophysics Data System (ADS)

    Amoo, Leye M.

    2013-07-01

    Progress in the design and structural analysis of commercial jet engine fan blades is reviewed and presented. This article is motivated by the key role fan blades play in the performance of advanced gas turbine jet engines. The fundamentals of the associated physics are emphasized. Recent developments and advancements have led to an increase and improvement in fan blade structural durability, stability and reliability. This article is intended as a high level review of the fan blade environment and current state of structural design to aid further research in developing new and innovative fan blade technologies.

  2. A structural role for the PHP domain in E. coli DNA polymerase III

    PubMed Central

    2013-01-01

    Background In addition to the core catalytic machinery, bacterial replicative DNA polymerases contain a Polymerase and Histidinol Phosphatase (PHP) domain whose function is not entirely understood. The PHP domains of some bacterial replicases are active metal-dependent nucleases that may play a role in proofreading. In E. coli DNA polymerase III, however, the PHP domain has lost several metal-coordinating residues and is likely to be catalytically inactive. Results Genomic searches show that the loss of metal-coordinating residues in polymerase PHP domains is likely to have coevolved with the presence of a separate proofreading exonuclease that works with the polymerase. Although the E. coli Pol III PHP domain has lost metal-coordinating residues, the structure of the domain has been conserved to a remarkable degree when compared to that of metal-binding PHP domains. This is demonstrated by our ability to restore metal binding with only three point mutations, as confirmed by the metal-bound crystal structure of this mutant determined at 2.9 Å resolution. We also show that Pol III, a large multi-domain protein, unfolds cooperatively and that mutations in the degenerate metal-binding site of the PHP domain decrease the overall stability of Pol III and reduce its activity. Conclusions While the presence of a PHP domain in replicative bacterial polymerases is strictly conserved, its ability to coordinate metals and to perform proofreading exonuclease activity is not, suggesting additional non-enzymatic roles for the domain. Our results show that the PHP domain is a major structural element in Pol III and its integrity modulates both the stability and activity of the polymerase. PMID:23672456

  3. A structural role for the PHP domain in E. coli DNA polymerase III.

    PubMed

    Barros, Tiago; Guenther, Joel; Kelch, Brian; Anaya, Jordan; Prabhakar, Arjun; O'Donnell, Mike; Kuriyan, John; Lamers, Meindert H

    2013-05-14

    In addition to the core catalytic machinery, bacterial replicative DNA polymerases contain a Polymerase and Histidinol Phosphatase (PHP) domain whose function is not entirely understood. The PHP domains of some bacterial replicases are active metal-dependent nucleases that may play a role in proofreading. In E. coli DNA polymerase III, however, the PHP domain has lost several metal-coordinating residues and is likely to be catalytically inactive. Genomic searches show that the loss of metal-coordinating residues in polymerase PHP domains is likely to have coevolved with the presence of a separate proofreading exonuclease that works with the polymerase. Although the E. coli Pol III PHP domain has lost metal-coordinating residues, the structure of the domain has been conserved to a remarkable degree when compared to that of metal-binding PHP domains. This is demonstrated by our ability to restore metal binding with only three point mutations, as confirmed by the metal-bound crystal structure of this mutant determined at 2.9 Å resolution. We also show that Pol III, a large multi-domain protein, unfolds cooperatively and that mutations in the degenerate metal-binding site of the PHP domain decrease the overall stability of Pol III and reduce its activity. While the presence of a PHP domain in replicative bacterial polymerases is strictly conserved, its ability to coordinate metals and to perform proofreading exonuclease activity is not, suggesting additional non-enzymatic roles for the domain. Our results show that the PHP domain is a major structural element in Pol III and its integrity modulates both the stability and activity of the polymerase.

  4. Designing, engineering, and testing wood structures

    NASA Technical Reports Server (NTRS)

    Gorman, Thomas M.

    1992-01-01

    The objective of this paper is to introduce basic structural engineering concepts in a clear, simple manner while actively involving students. This project emphasizes the fact that a good design uses materials efficiently. The test structure in this experiment can easily be built and has various design options. Even when the structure is loaded to collapsing, only one or two pieces usually break, leaving the remaining pieces intact and reusable.

  5. Aero/structural tailoring of engine blades (AERO/STAEBL)

    NASA Technical Reports Server (NTRS)

    Brown, K. W.

    1988-01-01

    This report describes the Aero/Structural Tailoring of Engine Blades (AERO/STAEBL) program, which is a computer code used to perform engine fan and compressor blade aero/structural numerical optimizations. These optimizations seek a blade design of minimum operating cost that satisfies realistic blade design constraints. This report documents the overall program (i.e., input, optimization procedures, approximate analyses) and also provides a detailed description of the validation test cases.

  6. pH-specific synthesis and spectroscopic, structural, and magnetic studies of a chromium(III)-citrate species. Aqueous solution speciation of the binary chromium(III)-citrate system.

    PubMed

    Gabriel, C; Raptopoulou, C P; Terzis, A; Tangoulis, V; Mateescu, C; Salifoglou, A

    2007-04-16

    In an attempt to understand the aqueous interactions of Cr(III) with the low-molecular-mass physiological ligand citric acid, the pH-specific synthesis in the binary Cr(III)-citrate system was explored, leading to the complex (NH4)4[Cr(C6H4O7)(C6H5O7)].3H2O (1). 1 crystallizes in the monoclinic space group I2/a, with a = 19.260(10) A, b = 10.006(6) A, c = 23.400(10) A, beta = 100.73(2) degrees , V = 4431(4) A3, and Z = 8. 1 was characterized by elemental analysis and spectroscopic, structural, thermal, and magnetic susceptibility studies. Detailed aqueous speciation studies in the Cr(III)-citrate system suggest the presence of a number of species, among which is the mononuclear [Cr(C6H4O7)(C6H5O7)]4- complex, optimally present around pH approximately 5.5. The structure of 1 reveals a mononuclear octahedral complex of Cr(III) with two citrate ligands bound to it. The two citrate ligands have different deprotonation states, thus signifying the importance of the mixed deprotonation state in the coordination sphere of the Cr(III) species in aqueous speciation. The latter reveals the distribution of numerous species, including 1, for which the collective structural, spectroscopic, and magnetic data point out its physicochemical profile in the solid state and in solution. The importance of the synthetic efforts linked to 1 and the potential ramifications of Cr(III) reactivity toward both low- and high-molecular-mass biotargets are discussed in light of (a) the quest for well-characterized soluble Cr(III) species that could be detected and identified in biologically relevant fluids, (b) ongoing efforts to delineate the aqueous speciation of the Cr(III)-citrate system and its link to biotoxic Cr(III) manifestations, and (c) the synthetic utility of convenient Cr(III) precursors in the synthesis of advanced materials.

  7. Engineering High-Energy Interfacial Structures for High-Performance Oxygen-Involving Electrocatalysis.

    PubMed

    Guo, Chunxian; Zheng, Yao; Ran, Jingrun; Xie, Fangxi; Jaroniec, Mietek; Qiao, Shi-Zhang

    2017-07-10

    Engineering high-energy interfacial structures for high-performance electrocatalysis is achieved by chemical coupling of active CoO nanoclusters and high-index facet Mn 3 O 4 nano-octahedrons (hi-Mn 3 O 4 ). A thorough characterization, including synchrotron-based near edge X-ray absorption fine structure, reveals that strong interactions between both components promote the formation of high-energy interfacial Mn-O-Co species and high oxidation state CoO, from which electrons are drawn by Mn III -O present in hi-Mn 3 O 4 . The CoO/hi-Mn 3 O 4 demonstrates an excellent catalytic performance over the conventional metal oxide-based electrocatalysts, which is reflected by 1.2 times higher oxygen evolution reaction (OER) activity than that of Ru/C and a comparable oxygen reduction reaction (ORR) activity to that of Pt/C as well as a better stability than that of Ru/C (95 % vs. 81 % retained OER activity) and Pt/C (92 % vs. 78 % retained ORR activity after 10 h running) in alkaline electrolyte. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Structure, Evolution, and Functions of Bacterial Type III Toxin-Antitoxin Systems.

    PubMed

    Goeders, Nathalie; Chai, Ray; Chen, Bihe; Day, Andrew; Salmond, George P C

    2016-09-28

    Toxin-antitoxin (TA) systems are small genetic modules that encode a toxin (that targets an essential cellular process) and an antitoxin that neutralises or suppresses the deleterious effect of the toxin. Based on the molecular nature of the toxin and antitoxin components, TA systems are categorised into different types. Type III TA systems, the focus of this review, are composed of a toxic endoribonuclease neutralised by a non-coding RNA antitoxin in a pseudoknotted configuration. Bioinformatic analysis shows that the Type III systems can be classified into subtypes. These TA systems were originally discovered through a phage resistance phenotype arising due to a process akin to an altruistic suicide; the phenomenon of abortive infection. Some Type III TA systems are bifunctional and can stabilise plasmids during vegetative growth and sporulation. Features particular to Type III systems are explored here, emphasising some of the characteristics of the RNA antitoxin and how these may affect the co-evolutionary relationship between toxins and cognate antitoxins in their quaternary structures. Finally, an updated analysis of the distribution and diversity of these systems are presented and discussed.

  9. Outer planet probe engineering model structural tests

    NASA Technical Reports Server (NTRS)

    Smittkamp, J. A.; Gustin, W. H.; Griffin, M. W.

    1977-01-01

    A series of proof of concept structural tests was performed on an engineering model of the Outer Planets Atmospheric Entry Probe. The tests consisted of pyrotechnic shock, dynamic and static loadings. The tests partially verified the structural concept.

  10. New charge transfer salts based on bis(ethylenedithio)tetrathiafulvalene (ET) and ferro- or antiferromagnetic oxalato-bridged dinuclear anions: syntheses, structures and magnetism of ET5[MM'(C2O4)(NCS)8] with MM' = Cr(III)Fe(III), Cr(III)Cr(III).

    PubMed

    Triki, S; Bérézovsky, F; Sala Pala, J; Gómez-García, C J; Coronado, E; Costuas, K; Halet, J F

    2001-09-24

    Electrochemical combination of the magnetic dinuclear anion [MM'(C2O4)(NCS)8](4-) (MM' = Cr(III)Cr(III), Cr(III)Fe(III)) with the ET organic pi-donor (ET = BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene) gives rise to two new isostructural molecular hybrid salts ET5[MM'(C2O4)(NCS)8], with MM' = CrCr (1), CrFe (2). The molecular structure of compound 1 has been determined by single crystal X-ray diffraction. The particular arrangement of the organic units consists of an unprecedented two-dimensional organic sublattice nearly similar to that observed in kappa-phase structures. For both compounds, the magnetic susceptibility measurements indicate (i) the ET radicals do not contribute to the magnetic moment probably due to the presence of strong antiferromagnetic interaction between them, and (ii) in the anion, the magnetic coupling is antiferromagnetic for 1 (J = -3.65 cm(-1)) and ferromagnetic for 2 (J = 1.14 cm(-1), J being the parameter of the exchange Hamiltonian H = -2JS1S2). The field dependence of the magnetization of compound 2 at 2.0 K gives further evidence of the S = 4 ground-state arising from the interaction between S = 3/2 Cr(III) and S = 5/2 Fe(III). EPR measurements confirm the nature of the magnetic interactions and the absence of any contribution from the organic part, as observed from the static magnetic measurement. Conductivity measurements and electronic band structure calculations show that both salts are semiconductors with low activation energies.

  11. Two binuclear cyanide-bridged Cr(III)-Mn(III) complexes based-on [Cr(2,2'-bipy)(CN)4]- building block: synthesis, crystal structures and magnetic properties.

    PubMed

    Zhanga, Daopeng; Kong, Lingqian; Zhang, Hongyan

    2015-01-01

    Tetracyanide building block [Cr(2,2'-bipy)(CN)(4)]- and two bicompartimental Schiff-base based manganese(III) compounds have been employed to assemble cyanide-bridged heterometallic complexes, resulting in two cyanide-bridged CrIII-MnIII complexes: [Mn(L(1))(H(2)O)][Cr(2,2'-bipy)(CN)(4)]·CH(3)OH·2.5H(2)O (1) and [Mn(L(2))(H(2)O)][Cr(2,2'-bipy)(CN)(4)]·CH(3)OH·(3)H(2)O (2) (L1 = N,N'-(1,3-propylene)-bis(3-methoxysalicylideneiminate), L2 = N,N'-ethylene-bis(3-ethoxysalicylideneiminate)). Single X-ray diffraction analysis shows their similar cyanide-bridged binuclear structures, in which the cyanide precursor acting as monodentate ligand connects the manganese(III) ion. The binuclear complexes are self-complementary through coordinated aqua ligand and the free O4 compartment from the neighboring complex, giving H-bond linking dimer structure. Investigation over magnetic properties reveals the antiferromagnetic magnetic coupling between the cyanide-bridged Cr(III) and Mn(III) ions. A best-fit to the magnetic susceptibilities of these two complexes leads to the magnetic coupling constants J = -5.95 cm(-1), j = -0.61 cm(-1) (1) and J = -4.15 cm(-1), j = -0.57 cm(-1) (2), respectively.

  12. Crystal structure of class III chitinase from pomegranate provides the insight into its metal storage capacity.

    PubMed

    Masuda, Taro; Zhao, Guanghua; Mikami, Bunzo

    2015-01-01

    Chitinase hydrolyzes the β-1,4-glycosidic bond in chitin. In higher plants, this enzyme has been regarded as a pathogenesis-related protein. Recently, we identified a class III chitinase, which functions as a calcium storage protein in pomegranate (Punica granatum) seed (PSC, pomegranate seed chitinase). Here, we solved a crystal structure of PSC at 1.6 Å resolution. Although its overall structure, including the structure of catalytic site and non-proline cis-peptides, was closely similar to those of other class III chitinases, PSC had some unique structural characteristics. First, there were some metal-binding sites with coordinated water molecules on the surface of PSC. Second, many unconserved aspartate residues were present in the PSC sequence which rendered the surface of PSC negatively charged. This acidic electrostatic property is in contrast to that of hevamine, well-characterized plant class III chitinase, which has rather a positively charged surface. Thus, the crystal structure provides a clue for metal association property of PSC.

  13. Fine Structures of Solar Radio Type III Bursts and Their Possible Relationship with Coronal Density Turbulence

    NASA Astrophysics Data System (ADS)

    Chen, Xingyao; Kontar, Eduard P.; Yu, Sijie; Yan, Yihua; Huang, Jing; Tan, Baolin

    2018-03-01

    Solar radio type III bursts are believed to be the most sensitive signatures of near-relativistic electron beam propagation in the corona. A solar radio type IIIb-III pair burst with fine frequency structures, observed by the Low Frequency Array (LOFAR) with high temporal (∼10 ms) and spectral (12.5 kHz) resolutions at 30–80 MHz, is presented. The observations show that the type III burst consists of many striae, which have a frequency scale of about 0.1 MHz in both the fundamental (plasma) and the harmonic (double plasma) emission. We investigate the effects of background density fluctuations based on the observation of striae structure to estimate the density perturbation in the solar corona. It is found that the spectral index of the density fluctuation spectrum is about ‑1.7, and the characteristic spatial scale of the density perturbation is around 700 km. This spectral index is very close to a Kolmogorov turbulence spectral index of ‑5/3, consistent with a turbulent cascade. This fact indicates that the coronal turbulence may play the important role of modulating the time structures of solar radio type III bursts, and the fine structure of radio type III bursts could provide a useful and unique tool to diagnose the turbulence in the solar corona.

  14. Synthesis, structure, luminescent, and magnetic properties of carbonato-bridged Zn(II)2Ln(III)2 complexes [(μ4-CO3)2{Zn(II)L(n)Ln(III)(NO3)}2] (Ln(III) = Gd(III), Tb(III), Dy(III); L(1) = N,N'-bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato, L(2) = N,N'-bis(3-ethoxy-2-oxybenzylidene)-1,3-propanediaminato).

    PubMed

    Ehama, Kiyomi; Ohmichi, Yusuke; Sakamoto, Soichiro; Fujinami, Takeshi; Matsumoto, Naohide; Mochida, Naotaka; Ishida, Takayuki; Sunatsuki, Yukinari; Tsuchimoto, Masanobu; Re, Nazzareno

    2013-11-04

    Carbonato-bridged Zn(II)2Ln(III)2 complexes [(μ4-CO3)2{Zn(II)L(n)Ln(III)(NO3)}2]·solvent were synthesized through atmospheric CO2 fixation reaction of [Zn(II)L(n)(H2O)2]·xH2O, Ln(III)(NO3)3·6H2O, and triethylamine, where Ln(III) = Gd(III), Tb(III), Dy(III); L(1) = N,N'-bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato, L(2) = N,N'-bis(3-ethoxy-2-oxybenzylidene)-1,3-propanediaminato. Each Zn(II)2Ln(III)2 structure possessing an inversion center can be described as two di-μ-phenoxo-bridged {Zn(II)L(n)Ln(III)(NO3)} binuclear units bridged by two carbonato CO3(2-) ions. The Zn(II) ion has square pyramidal coordination geometry with N2O2 donor atoms of L(n) and one oxygen atom of a bridging carbonato ion at the axial site. Ln(III) ion is coordinated by nine oxygen atoms consisting of four from the deprotonated Schiff-base L(n), two from a chelating nitrate, and three from two carbonate groups. The temperature-dependent magnetic susceptibilities in the range 1.9-300 K, field-dependent magnetization from 0 to 5 T at 1.9 K, and alternating current magnetic susceptibilities under the direct current bias fields of 0 and 1000 Oe were measured. The magnetic properties of the Zn(II)2Ln(III)2 complexes are analyzed on the basis of the dicarbonato-bridged binuclear Ln(III)-Ln(III) structure, as the Zn(II) ion with d(10) electronic configuration is diamagnetic. ZnGd1 (L(1)) and ZnGd2 (L(2)) show a ferromagnetic Gd(III)-Gd(III) interaction with J(Gd-Gd) = +0.042 and +0.028 cm(-1), respectively, on the basis of the Hamiltonian H = -2J(Gd-Gd)ŜGd1·ŜGd2. The magnetic data of the Zn(II)2Ln(III)2 complexes (Ln(III) = Tb(III), Dy(III)) were analyzed by a spin Hamiltonian including the crystal field effect on the Ln(III) ions and the Ln(III)-Ln(III) magnetic interaction. The Stark splitting of the ground state was so evaluated, and the energy pattern indicates a strong easy axis (Ising type) anisotropy. Luminescence spectra of Zn(II)2Tb(III)2 complexes were observed, while those

  15. RNA polymerase III transcription - regulated by chromatin structure and regulator of nuclear chromatin organization.

    PubMed

    Pascali, Chiara; Teichmann, Martin

    2013-01-01

    RNA polymerase III (Pol III) transcription is regulated by modifications of the chromatin. DNA methylation and post-translational modifications of histones, such as acetylation, phosphorylation and methylation have been linked to Pol III transcriptional activity. In addition to being regulated by modifications of DNA and histones, Pol III genes and its transcription factors have been implicated in the organization of nuclear chromatin in several organisms. In yeast, the ability of the Pol III transcription system to contribute to nuclear organization seems to be dependent on direct interactions of Pol III genes and/or its transcription factors TFIIIC and TFIIIB with the structural maintenance of chromatin (SMC) protein-containing complexes cohesin and condensin. In human cells, Pol III genes and transcription factors have also been shown to colocalize with cohesin and the transcription regulator and genome organizer CCCTC-binding factor (CTCF). Furthermore, chromosomal sites have been identified in yeast and humans that are bound by partial Pol III machineries (extra TFIIIC sites - ETC; chromosome organizing clamps - COC). These ETCs/COC as well as Pol III genes possess the ability to act as boundary elements that restrict spreading of heterochromatin.

  16. Structures, performance, benefit, cost study. [gas turbine engines

    NASA Technical Reports Server (NTRS)

    Feder, E.

    1981-01-01

    Aircraft engine structures were studied to identify the advanced structural technologies that would provide the most benefits to future aircraft operations. A series of studies identified engine systems with the greatest potential for improvements. Based on these studies, six advanced generic structural concepts were selected and conceptually designed. The benefits of each concept were quantitatively assessed in terms of thrust specific fuel consumption, weight, cost, maintenance cost, fuel burned and direct operating cost plus interest. The probability of success of each concept was also determined. The concepts were ranked and the three most promising were selected for further study which consisted of identifying and comprehensively outlining the advanced technologies required to develop these concepts for aircraft engine application. Analytic, fabrication, and test technology developments are required. The technology programs outlined emphasize the need to provide basic, fundamental understanding of technology to obtain the benefit goals.

  17. Structural dynamic analysis of the Space Shuttle Main Engine

    NASA Technical Reports Server (NTRS)

    Scott, L. P.; Jamison, G. T.; Mccutcheon, W. A.; Price, J. M.

    1981-01-01

    This structural dynamic analysis supports development of the SSME by evaluating components subjected to critical dynamic loads, identifying significant parameters, and evaluating solution methods. Engine operating parameters at both rated and full power levels are considered. Detailed structural dynamic analyses of operationally critical and life limited components support the assessment of engine design modifications and environmental changes. Engine system test results are utilized to verify analytic model simulations. The SSME main chamber injector assembly is an assembly of 600 injector elements which are called LOX posts. The overall LOX post analysis procedure is shown.

  18. Sixty years from discovery to solution: crystal structure of bovine liver catalase form III

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Foroughi, Leila M.; Kang, You-Na; Matzger, Adam J.

    2012-03-27

    The crystallization and structural characterization of bovine liver catalase (BLC) has been intensively studied for decades. Forms I and II of BLC have previously been fully characterized using single-crystal X-ray diffraction. Form III has previously been analyzed by electron microscopy, but owing to the thinness of this crystal form an X-ray crystal structure had not been determined. Here, the crystal structure of form III of BLC is presented in space group P212121, with unit-cell parameters a = 68.7, b = 173.7, c = 186.3 {angstrom}. The asymmetric unit is composed of the biological tetramer, which is packed in a tetrahedronmore » motif with three other BLC tetramers. This higher resolution structure has allowed an assessment of the previously published electron-microscopy studies.« less

  19. Educating next-generation civil engineers about smart structures technology

    NASA Astrophysics Data System (ADS)

    Zhang, Yunfeng

    2005-05-01

    The implementation of smart structures technology in the design, construction and maintenance of civil and mechanical systems have been shown beneficial to the performance enhancement, operating efficiency and reliability of structural systems. However, most of today's engineering students are unaware of the remarkable properties of smart sensors and many applications of smart structures technology. It is thus desirable to prepare the future engineers of the society for the cutting-edge technologies in smart structures, for which they may see broad application in their generation. Pioneering work in incorporating smart structures technologies into civil engineering curriculum has been done by the writer at Lehigh University and is described in this paper. In particular, a graduate-level course entitled "Smart Structural Systems" has been taught in the Spring Semester of Year 2004 at Lehigh University. To better convey the course material to students, a smart structures test-bed, which is used not only to showcase various technological aspects of a smart structural system but also offer students an opportunity to gain hands-on experience by doing experiments has been under development at Lehigh University. The hands-on experience that could be developed with the smart structures test-bed is believed being essential for students to have a good understanding and mastering of the smart structures technologies.

  20. Genetically engineered T cells to target EGFRvIII expressing glioblastoma.

    PubMed

    Bullain, Szofia S; Sahin, Ayguen; Szentirmai, Oszkar; Sanchez, Carlos; Lin, Ning; Baratta, Elizabeth; Waterman, Peter; Weissleder, Ralph; Mulligan, Richard C; Carter, Bob S

    2009-09-01

    Glioblastoma remains a significant therapeutic challenge, warranting further investigation of novel therapies. We describe an immunotherapeutic strategy to treat glioblastoma based on adoptive transfer of genetically modified T-lymphocytes (T cells) redirected to kill EGFRvIII expressing gliomas. We constructed a chimeric immune receptor (CIR) specific to EGFRvIII, (MR1-zeta). After in vitro selection and expansion, MR1-zeta genetically modified primary human T-cells specifically recognized EGFRvIII-positive tumor cells as demonstrated by IFN-gamma secretion and efficient tumor lysis compared to control CIRs defective in EGFRvIII binding (MRB-zeta) or signaling (MR1-delzeta). MR1-zeta expressing T cells also inhibited EGFRvIII-positive tumor growth in vivo in a xenografted mouse model. Successful targeting of EGFRvIII-positive tumors via adoptive transfer of genetically modified T cells may represent a new immunotherapy strategy with great potential for clinical applications.

  1. Structure, Evolution, and Functions of Bacterial Type III Toxin-Antitoxin Systems

    PubMed Central

    Goeders, Nathalie; Chai, Ray; Chen, Bihe; Day, Andrew; Salmond, George P. C.

    2016-01-01

    Toxin-antitoxin (TA) systems are small genetic modules that encode a toxin (that targets an essential cellular process) and an antitoxin that neutralises or suppresses the deleterious effect of the toxin. Based on the molecular nature of the toxin and antitoxin components, TA systems are categorised into different types. Type III TA systems, the focus of this review, are composed of a toxic endoribonuclease neutralised by a non-coding RNA antitoxin in a pseudoknotted configuration. Bioinformatic analysis shows that the Type III systems can be classified into subtypes. These TA systems were originally discovered through a phage resistance phenotype arising due to a process akin to an altruistic suicide; the phenomenon of abortive infection. Some Type III TA systems are bifunctional and can stabilise plasmids during vegetative growth and sporulation. Features particular to Type III systems are explored here, emphasising some of the characteristics of the RNA antitoxin and how these may affect the co-evolutionary relationship between toxins and cognate antitoxins in their quaternary structures. Finally, an updated analysis of the distribution and diversity of these systems are presented and discussed. PMID:27690100

  2. Jack R. Ferrell III | NREL

    Science.gov Websites

    Jack R. Ferrell III Photo of Jack R. Ferrell III Jack Ferrell Research Engineer Jack.Ferrell @nrel.gov | 303-384-7777 Orcid ID http://orcid.org/0000-0003-3041-8742 Research Interests Jack Ferrell works in the Thermochemical Catalysis Research and Development (R&D) group and manages tasks on

  3. Advanced Residual Strength Degradation Rate Modeling for Advanced Composite Structures. Volume II. Tasks II and III.

    DTIC Science & Technology

    1981-07-01

    ADVANCED COMPOSITE STRUCTURES VOLUME II - TASKS Ix AND III K. N. Lauraitis Tl J. T. Ryder ?l4 D. E. Pettit ~ Lockheed-California Company S Burbank...Strength Degradation Rate Final Report Modeling for Advanced Composite Structures 1 July 1979 to 29 May 1981 Vol II - Task II and III S. PERFORMIN ONG...identify by block namber) composites , graphite/epoxy, impact damage, damaged holes, fatigue, damage propagation, residual strength, NDI 20. ABSTRACT

  4. Structure and Magnetic Properties of a Dodecanuclear Twisted-Ring Iron(III) Cluster.

    PubMed

    Caneschi, Andrea; Cornia, Andrea; Fabretti, Antonio C; Gatteschi, Dante

    1999-05-03

    An unprecedented nonplanar structure characterizes the complex [Fe(OCH 3 ) 2 (dbm)] 12 (on the left in the picture), which contains the largest cyclic ferric cluster yet reported with chemically equivalent bridging units. It is made up of twelve high-spin, antiferromagnetically coupled iron(III) centers and neatly reacts with Na I or Li I templates in organic solution to give hexairon(III) coronates (right). Fe=•, O=○, NaI or LiI=• Hdbm=dibenzoylmethane. © 1999 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.

  5. Structural characterization of CFA/III and Longus type IVb pili from enterotoxigenic Escherichia coli.

    PubMed

    Kolappan, Subramaniapillai; Roos, Justin; Yuen, Alex S W; Pierce, Owen M; Craig, Lisa

    2012-05-01

    The type IV pili are helical filaments found on many Gram-negative pathogenic bacteria, with multiple diverse roles in pathogenesis, including microcolony formation, adhesion, and twitching motility. Many pathogenic enterotoxigenic Escherichia coli (ETEC) isolates express one of two type IV pili belonging to the type IVb subclass: CFA/III or Longus. Here we show a direct correlation between CFA/III expression and ETEC aggregation, suggesting that these pili, like the Vibrio cholerae toxin-coregulated pili (TCP), mediate microcolony formation. We report a 1.26-Å resolution crystal structure of CofA, the major pilin subunit from CFA/III. CofA is very similar in structure to V. cholerae TcpA but possesses a 10-amino-acid insertion that replaces part of the α2-helix with an irregular loop containing a 3(10)-helix. Homology modeling suggests a very similar structure for the Longus LngA pilin. A model for the CFA/III pilus filament was generated using the TCP electron microscopy reconstruction as a template. The unique 3(10)-helix insert fits perfectly within the gap between CofA globular domains. This insert, together with differences in surface-exposed residues, produces a filament that is smoother and more negatively charged than TCP. To explore the specificity of the type IV pilus assembly apparatus, CofA was expressed heterologously in V. cholerae by replacing the tcpA gene with that of cofA within the tcp operon. Although CofA was synthesized and processed by V. cholerae, no CFA/III filaments were detected, suggesting that the components of the type IVb pilus assembly system are highly specific to their pilin substrates.

  6. The Structure-Mapping Engine: Algorithm and Examples.

    ERIC Educational Resources Information Center

    Falkenhainer, Brian; And Others

    This description of the Structure-Mapping Engine (SME), a flexible, cognitive simulation program for studying analogical processing which is based on Gentner's Structure-Mapping theory of analogy, points out that the SME provides a "tool kit" for constructing matching algorithms consistent with this theory. This report provides: (1) a…

  7. Structure and luminescent property of complexes of aryl carboxylic acid-functionalized polystyrene with Eu(III) and Tb(III) ions.

    PubMed

    Gao, Baojiao; Shi, Nan; Qiao, Zongwen

    2015-11-05

    Via polymer reactions, naphthoic acid (NA) and benzoic acid (BA) were bonded onto the side chains of polystyrene (PS), respectively, and two aryl carboxylic acid-functionalized polystyrenes, PSNA and PSBA, were obtained. Using PSNA and PSBA as macromolecule ligands and Eu(3+) and Tb(3+) ions as central ions, various luminescent binary polymer-rare earth complexes were prepared. At the same time, with 1,10-phenanthroline (Phen) and 4,4'-bipyridine (Bipy) as small-molecule co-ligands, various ternary polymer-rare earth complexes were also prepared. On the basis of characterizing PSNA, PSBA and complexes, the relationship between structure and luminescent property for these prepared complexes were mainly investigated. The study results show that the macromolecule ligands PSNA and PSBA, or the bonded NA and BA ligands, can strongly sensitize the fluorescence emissions of Eu(3+) ion or Tb(3+) ion, but the sensitization effect is strongly dependent on the structure of the ligands and the property of the central ions, namely it is strongly dependent on the matching degree of energy levels. The fluorescence emission of the binary complex PS-(NA)3-Eu(III) is stronger than that PS-(BA)3-Eu(III), indicating ligand NA has stronger sensitization action for Eu(3+) ion than ligand BA; the binary complex PS-(BA)3-Tb(III) emit strong characteristic fluorescence of Tb(3+) ion, displaying that ligand BA can strongly sensitize Tb(3+) ion, whereas the binary complex PS-(NA)3-Tb(III) nearly does not emit the characteristic fluorescence of Tb(3+) ion, showing that ligand NA does not sensitize Tb(3+) ion. The fluorescence intensity of the ternary complexes is much stronger than that of the binary complexes in the same series. Copyright © 2015 Elsevier B.V. All rights reserved.

  8. Maritime patrol aircraft engine study, General Electric Derivative Engines. Volume III. Appendix B: performance data, TF 34/T7 study AL turboprop. Final report October 1978-April 1979

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Hirschkron, R.; Davis, R.H.; Warren, R.E.

    1979-04-30

    This study developed data on General Electric common core derivative engines for use in Maritime Patrol Aircraft (MPA) concept formulation studies. The study included the screening of potential General Electric turbofan and turboprop/turboshaft engines and the preparation of technical and planning information on three of the most promising engine candidates. Screening of General Electric derivative candidates was performed utilizing an analytical MPA model using synthesized mission profiles to rank the candidates in terms of fuel consumption, weight, cost and complexity. The three turboprop engines selected for further study were as follows: TF34 growth derivative version with boost and new LPTmore » (TF34/T7 Study A1), F404 derivative with booster stages and new LPT (F404/T1 Study A1), and GE27 scaled and boosted study engine (GE27/T3 Study A1). Volume I summarizes the screening analysis and contains technical, planning, installation, cost and development data for the three selected turboprop engines. Volumes II, III and IV of this report contain the detailed performance data estimates for the GE27/T3 Study A1, TF34/T7 Study A1 and F404/T1 Study A1 turboprop engines, respectively.« less

  9. Multiscale structural characterizations of mixed U(iv)-An(iii) oxalates (An(iii) = Pu or Am) combining XAS and XRD measurements.

    PubMed

    Arab-Chapelet, B; Martin, P M; Costenoble, S; Delahaye, T; Scheinost, A C; Grandjean, S; Abraham, F

    2016-04-28

    Mixed actinide(III,IV) oxalates of the general formula M2.2UAn(C2O4)5·nH2O (An = Pu or Am and M = H3O(+) and N2H5(+)) have been quantitatively precipitated by oxalic precipitation in nitric acid medium (yield >99%). Thorough multiscale structural characterization using XRD and XAS measurements confirmed the existence of mixed actinide oxalate solid solutions. The XANES analysis confirmed that the oxidation states of the metallic cations, tetravalent for uranium and trivalent for plutonium and americium, are maintained during the precipitation step. EXAFS measurements show that the local environments around U(+IV), Pu(+III) and Am(+III) are comparable, and the actinides are surrounded by ten oxygen atoms from five bidentate oxalate anions. The mean metal-oxygen distances obtained by XAS measurements are in agreement with those calculated from XRD lattice parameters.

  10. Effects of Structural Flexibility on Aircraft-Engine Mounts

    NASA Technical Reports Server (NTRS)

    Phillips, W. H.

    1986-01-01

    Analysis extends technique for design of widely used type of vibration-isolating mounts for aircraft engines, in which rubber mounting pads located in plane behind center of gravity of enginepropeller combination. New analysis treats problem in statics. Results of simple approach useful in providing equations for design of vibrationisolating mounts. Equations applicable in usual situation in which engine-mount structure itself relatively light and placed between large mass of engine and other heavy components of airplane.

  11. Crystal structures of 3-methyladenine DNA glycosylase MagIII and the recognition of alkylated bases

    PubMed Central

    Eichman, Brandt F.; O’Rourke, Eyleen J.; Radicella, J.Pablo; Ellenberger, Tom

    2003-01-01

    DNA glycosylases catalyze the excision of chemically modified bases from DNA. Although most glycosylases are specific to a particular base, the 3-methyladenine (m3A) DNA glycosylases include both highly specific enzymes acting on a single modified base, and enzymes with broader specificity for alkylation-damaged DNA. Our structural understanding of these different enzymatic specificities is currently limited to crystal and NMR structures of the unliganded enzymes and complexes with abasic DNA inhibitors. Presented here are high-resolution crystal structures of the m3A DNA glycosylase from Helicobacter pylori (MagIII) in the unliganded form and bound to alkylated bases 3,9-dimethyladenine and 1,N6-ethenoadenine. These are the first structures of a nucleobase bound in the active site of a m3A glycosylase belonging to the helix–hairpin–helix superfamily. MagIII achieves its specificity for positively-charged m3A not by direct interactions with purine or methyl substituent atoms, but rather by stacking the base between two aromatic side chains in a pocket that excludes 7-methylguanine. We report base excision and DNA binding activities of MagIII active site mutants, together with a structural comparison of the HhH glycosylases. PMID:14517230

  12. Half-metallicity and electronic structures for carbon-doped group III-nitrides: Calculated with a modified Becke-Johnson potential

    NASA Astrophysics Data System (ADS)

    Fan, Shuai-wei; Wang, Ri-gao; Xu, Pemg

    2016-09-01

    The electronic structures and magnetism for carbon-doped group III-nitrides are investigated by utilizing the first principle method with the modified Becke-Johnson potential. Calculations show that carbon substituting cations (anions) would induce the group III-nitrides to be paramagnetic metals (half-metallic ferromagnets). Single carbon substituting nitrogen could produce 1.00μB magnetic moment. Electronic structures indicate that the carriers-mediated double-exchange interaction plays a crucial role in forming the ferromagnetism. Based on the mean-field theory, the Curie temperature for carbon-doped group III-nitrides would be above the room temperature. Negative chemical pair interactions imply that carbon dopants tend to form clustering distribution in group III-nitrides. The nitrogen vacancy would make the carbon-doped group III-nitrides lose the half-metallic ferromagnetism.

  13. Atomic Resolution Structure of the Oncolytic Parvovirus LuIII by Electron Microscopy and 3D Image Reconstruction.

    PubMed

    Pittman, Nikéa; Misseldine, Adam; Geilen, Lorena; Halder, Sujata; Smith, J Kennon; Kurian, Justin; Chipman, Paul; Janssen, Mandy; Mckenna, Robert; Baker, Timothy S; D'Abramo, Anthony; Cotmore, Susan; Tattersall, Peter; Agbandje-McKenna, Mavis

    2017-10-30

    LuIII, a protoparvovirus pathogenic to rodents, replicates in human mitotic cells, making it applicable for use to kill cancer cells. This virus group includes H-1 parvovirus (H-1PV) and minute virus of mice (MVM). However, LuIII displays enhanced oncolysis compared to H-1PV and MVM, a phenotype mapped to the major capsid viral protein 2 (VP2). This suggests that within LuIII VP2 are determinants for improved tumor lysis. To investigate this, the structure of the LuIII virus-like-particle was determined using single particle cryo-electron microscopy and image reconstruction to 3.17 Å resolution, and compared to the H-1PV and MVM structures. The LuIII VP2 structure, ordered from residue 37 to 587 (C-terminal), had the conserved VP topology and capsid morphology previously reported for other protoparvoviruses. This includes a core β-barrel and α-helix A, a depression at the icosahedral 2-fold and surrounding the 5-fold axes, and a single protrusion at the 3-fold axes. Comparative analysis identified surface loop differences among LuIII, H-1PV, and MVM at or close to the capsid 2- and 5-fold symmetry axes, and the shoulder of the 3-fold protrusions. The 2-fold differences cluster near the previously identified MVM sialic acid receptor binding pocket, and revealed potential determinants of protoparvovirus tumor tropism.

  14. Crystal structures of two cross-bridged chromium(III) tetra­aza­macrocycles

    PubMed Central

    Prior, Timothy J.; Maples, Danny L.; Maples, Randall D.; Hoffert, Wesley A.; Parsell, Trenton H.; Silversides, Jon D.; Archibald, Stephen J.; Hubin, Timothy J.

    2014-01-01

    The crystal structure of di­chlorido­(4,10-dimethyl-1,4,7,10-tetra­aza­bicyclo­[5.5.2]tetra­deca­ne)chromium(III) hexa­fluorido­phosphate, [CrCl2(C12H26N4)]PF6, (I), has monoclinic symmetry (space group P21/n) at 150 K. The structure of the related di­chlorido­(4,11-dimethyl-1,4,8,11-tetra­aza­bicyclo­[6.6.2]hexa­deca­ne)chromium(III) hexa­fluorido­phosphate, [CrCl2(C14H30N4)]PF6, (II), also displays monoclinic symmetry (space group P21/c) at 150 K. In each case, the CrIII ion is hexa­coordinate with two cis chloride ions and two non-adjacent N atoms bound cis equatorially and the other two non-adjacent N atoms bound trans axially in a cis-V conformation of the macrocycle. The extent of the distortion from the preferred octa­hedral coordination geometry of the CrIII ion is determined by the parent macrocycle ring size, with the larger cross-bridged cyclam ring in (II) better able to accommodate this preference and the smaller cross-bridged cyclen ring in (I) requiring more distortion away from octa­hedral geometry. PMID:25309165

  15. A structured interview for the DSM-III personality disorders. A preliminary report.

    PubMed

    Stangl, D; Pfohl, B; Zimmerman, M; Bowers, W; Corenthal, C

    1985-06-01

    With few exceptions, published studies fail to indicate that the DSM-III personality disorders can be distinguished from each other with respect to etiology, prognosis, treatment response, or family history. The Structured Interview for the DSM-III Personality Disorders (SIDP) was developed to improve axis II diagnostic reliability, and hence allow validity testing of axis II. Sixty-three subjects were independently rated by two interviewers using the SIDP. The kappa coefficients for interrater agreement reached .70 or higher for histrionic, borderline, and dependent personalities. While it is impossible to separate the validity testing of the SIDP from validity testing of the DSM-III personality criteria themselves, preliminary results from 102 inpatient SIDP interviews suggest some criterion-based validity with respect to standard personality rating scales and some construct validity with respect to the dexamethasone suppression test.

  16. A new supramolecular chromium(III) complex: Synthesis, structural determination, optical study, magnetic and antibacterial activity

    NASA Astrophysics Data System (ADS)

    Dridi, Rihab; Dhieb, Cyrine; Cherni, Saoussen Namouchi; Boudjada, Nassira Chniba; Sadfi Zouaoui, Najla; Zid, Mohamed Faouzi

    2018-01-01

    A new chromium (III) complex 1,5-Naphthyridine Trans-diaquadioxalatochromate (III) dihydrate, had been synthesized by self-assembly of chromium (III) nitrate with oxalic acid and 1,5-Naphthyridine. The complex was characterized by X-ray diffraction, Fourier Transform Infrared spectroscopy, thermogravimetric analysis and UV-Visible spectroscopy. The crystal morphology was carried out using Bravais-Friedel-Donnay-Harker (BFDH) model. Single crystal X-Ray structure determination revealed that the complex posses two crystallographically independent Cr(III) centers. Each Cr(III) has a distorted octahedron geometry involving two axial O atoms from two water molecules and four equatorial O atoms from two oxalate dianions forming trans-[Cr(C2O4)2(H2O)2]- complex anions. The charge compensation is accomplished by the incorporation of 1,5-Naphthyridine cations. Connection between these entities is ensured by means of strong hydrogen bonds giving rise to 3D supramolecular architecture. Hirshfeld surface analysis and the related 2D fingerprint plots were used for decoding plausible intermolecular interactions in the crystal packing. The magnetic properties of the complex had been investigated and discussed in the context of its structure. The antimicrobial activity was evaluated by disc diffusion method highlighting an antagonistic effect of the synthesized complex against Gram-positive and Gram-negative species.

  17. Cyanide-bridged Fe(III)-Mn(III) bimetallic complexes with dimeric and chain structures constructed from a newly made mer-Fe tricyanide: structures and magnetic properties.

    PubMed

    Kim, Jae Il; Kwak, Hyun Young; Yoon, Jung Hee; Ryu, Dae Won; Yoo, In Young; Yang, Namgeun; Cho, Beong Ki; Park, Je-Geun; Lee, Hyosug; Hong, Chang Seop

    2009-04-06

    Four cyanide-linked Fe(III)-Mn(III) complexes were prepared by reacting Mn Schiff bases with a new molecular precursor (PPh(4))[Fe(qcq)(CN)(3)] [1; qcq = 8-(2-quinolinecarboxamido)quinoline anion]. They include a dimeric molecule, [Fe(qcq)(CN)(3)][Mn(3-MeOsalen)(H(2)O)] x 2 H(2)O [2 x 2 H(2)O; 3-MeOsalen = N,N'-ethylenebis(3-methoxysalicylideneiminato) dianion], and three 1D zigzag chains, [Fe(qcq)(CN)(3)][Mn(5-Clsalen)] x 3 H(2)O [3 x 2 MeOH; 5-Clsalen = N,N'-ethylenebis(5-chlorosalicylideneiminato) dianion], [Fe(qcq)(CN)(3)][Mn(5-Brsalen)] x 2 MeOH [4 x 2 MeOH; 5-Brsalen = N,N'-ethylenebis(5-bromosalicylideneiminato) dianion], and Fe(qcq)(CN)(3)][Mn(salen)].MeCN x H(2)O [5 x MeCN; salen = N,N'-ethylenebis(salicylideneiminato) dianion]. The complexes consist of extensive hydrogen bonding and pi-pi stacking interactions, generating multidimensional structures. Magnetic studies demonstrate that antiferromagnetic couplings are operative between Fe(III) and Mn(III) centers bridged by cyanide ligands. On the basis of an infinite chain model, magnetic coupling parameters of 2-5 range from -9.3 to -14.1 cm(-1). A long-range order is observed at 2.3 K for 3 and 2.2 K for 4, while compound 5 shows spin glass behavior possibly coupled with magnetic ordering.

  18. Structure of short-range-ordered iron(III)-precipitates formed by iron(II) oxidation in water containing phosphate, silicate, and calcium

    NASA Astrophysics Data System (ADS)

    Voegelin, A.; Frommer, J.; Vantelon, D.; Kaegi, R.; Hug, S. J.

    2009-04-01

    The oxidation of Fe(II) in water leads to the formation of Fe(III)-precipitates that strongly affect the fate of nutrients and contaminants in natural and engineered systems. Examples include the cycling of As in rice fields irrigated with As-rich groundwater or the treatment of drinking water for As removal. Knowledge of the types of Fe(III)-precipitates forming in such systems is essential for the quantitative modeling of nutrient and contaminant dynamics and for the optimization of water purification techniques on the basis of a mechanistic understanding of the relevant biogeochemical processes. In this study, we investigated the local coordination of Fe, P, and Ca in Fe(III)-precipitates formed by aeration of synthetic Fe(II)-containing groundwater with variable composition (pH 7, 2-30 mg/L Fe(II), 2-20 mg/L phosphate-P, 2-20 mg/L silicate-Si, 8 mM Na-bicarbonate or 2.5 mM Ca-&1.5 mM Mg-bicarbonate). After 4 hours of oxidation, Fe(III)-precipitates were collected on 0.2 µm nylon filters and dried. The precipitates were analyzed by Fe K-edge EXAFS (XAS beamline, ANKA, Germany) and by P and Ca K-edge XANES spectroscopy (LUCIA beamline, SLS, Switzerland). The Fe K-edge EXAFS spectra indicated that local Fe coordination in the precipitates systematically shifted with water composition. As long as water contained P, mainly short-range-ordered Fe(III)-phosphate formed (with molar P/Fe ~0.5). In the absence of P, Fe(III) precipitated as hydrous ferric oxide at high Si/Fe>0.5, as ferrihydrite at intermediate Si/Fe, and mainly as lepidocrocite at Si/Fe<0.2. Analysis of the EXAFS by shell-fitting indicated that Fe(III)-phosphates mainly contained mono- or oligomeric (edge- or corner-sharing) Fe and that the linkage between neighboring Fe(III)-octahedra changed from predominantly edge-sharing in Si-rich hydrous ferric oxide to edge- and corner-sharing in ferrihydrite. Electron microscopic data showed that changes in local precipitate structure were systematically

  19. Crystal structure of tandem type III fibronectin domains from Drosophila neuroglian at 2.0 A.

    PubMed

    Huber, A H; Wang, Y M; Bieber, A J; Bjorkman, P J

    1994-04-01

    We report the crystal structure of two adjacent fibronectin type III repeats from the Drosophila neural cell adhesion molecule neuroglian. Each domain consists of two antiparallel beta sheets and is folded topologically identically to single fibronectin type III domains from the extracellular matrix proteins tenascin and fibronectin. beta bulges and left-handed polyproline II helices disrupt the regular beta sheet structure of both neuroglian domains. The hydrophobic interdomain interface includes a metal-binding site, presumably involved in stabilizing the relative orientation between domains and predicted by sequence comparision to be present in the vertebrate homolog molecule L1. The neuroglian domains are related by a near perfect 2-fold screw axis along the longest molecular dimension. Using this relationship, a model for arrays of tandem fibronectin type III repeats in neuroglian and other molecules is proposed.

  20. 40 CFR Appendix III to Part 1068 - High-Altitude Counties

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 33 2011-07-01 2011-07-01 false High-Altitude Counties III Appendix III to Part 1068 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR POLLUTION CONTROLS GENERAL COMPLIANCE PROVISIONS FOR ENGINE PROGRAMS Pt. 1068, App. III Appendix III to Part 1068...

  1. 40 CFR Appendix III to Part 1068 - High-Altitude Counties

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 32 2010-07-01 2010-07-01 false High-Altitude Counties III Appendix III to Part 1068 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) AIR POLLUTION CONTROLS GENERAL COMPLIANCE PROVISIONS FOR ENGINE PROGRAMS Pt. 1068, App. III Appendix III to Part 1068...

  2. Evaluation of engineering plastic for rollover protective structure (ROPS) mounting.

    PubMed

    Comer, R S; Ayers, P D; Liu, J

    2007-04-01

    Agriculture has one of the highest fatality rates of any industry in America. Tractor rollovers are a significant contributor to the high death rate. Rollover protective structures (ROPS) have helped lower these high fatality rates on full-size tractors. However, a large number of older tractors still do not use ROPS due to the difficulty of designing and creating a mounting structure. To help reduce this difficulty, engineering plastics were evaluated for use in a ROPS mounting structure on older tractors. The use of engineering plastics around axle housings could provide a uniform mounting configuration as well as lower costs for aftermarket ROPS. Various plastics were examined through shear testing, scale model testing, and compressive strength testing. Once a material was chosen based upon strength and cost, full-scale testing of the plastic's strength on axle housings was conducted. Finally, a mounting structure was tested in static ROPS tests, and field upset tests were performed in accordance with SAE Standard J2194. Initial tests revealed that the ROPS mounting structure and axle housing combination had higher torsional strength with less twisting than the axle housing alone. An engineering plastic ROPS mounting structure was easily successful in withstanding the forces applied during the static longitudinal and lateral ROPS tests. Field upset testing revealed that the mounting structure could withstand the impact loads seen during actual upsets without a failure. During both static testing and field upset testing, no permanent twisting of the mounting structure was found. Engineering plastic could therefore be a viable option for a universal ROPS mounting structure for older tractors.

  3. Structural and catalytic characterization of a heterovalent Mn(II)Mn(III) complex that mimics purple acid phosphatases.

    PubMed

    Smith, Sarah J; Riley, Mark J; Noble, Christopher J; Hanson, Graeme R; Stranger, Robert; Jayaratne, Vidura; Cavigliasso, Germán; Schenk, Gerhard; Gahan, Lawrence R

    2009-11-02

    The binuclear heterovalent manganese model complex [Mn(II)Mn(III)(L1)(OAc)(2)] ClO(4) x H(2)O (H(2)L1 = 2-(((3-((bis(pyridin-2-ylmethyl)amino)methyl)-2-hydroxy-5-methylbenzyl)(pyridin-2-ylmethyl)amino)-methyl)phenol) has been prepared and studied structurally, spectroscopically, and computationally. The magnetic and electronic properties of the complex have been related to its structure. The complex is weakly antiferromagnetically coupled (J approximately -5 cm(-1), H = -2J S(1) x S(2)) and the electron paramagnetic resonance (EPR) and magnetic circular dichroism (MCD) spectra identify the Jahn-Teller distortion of the Mn(III) center as predominantly a tetragonal compression, with a significant rhombic component. Electronic structure calculations using density functional theory have confirmed the conclusions derived from the experimental investigations. In contrast to isostructural M(II)Fe(III) complexes (M = Fe, Mn, Zn, Ni), the Mn(II)Mn(III) system is bifunctional possessing both catalase and hydrolase activities, and only one catalytically relevant pK(a) (= 8.2) is detected. Mechanistic implications are discussed.

  4. Structure-activity studies of lGnRH-III through rational amino acid substitution and NMR conformational studies.

    PubMed

    Pappa, Eleni V; Zompra, Aikaterini A; Diamantopoulou, Zoi; Spyranti, Zinovia; Pairas, George; Lamari, Fotini N; Katsoris, Panagiotis; Spyroulias, George A; Cordopatis, Paul

    2012-01-01

    Lamprey gonadotropin-releasing hormone type III (lGnRH-III) is an isoform of GnRH isolated from the sea lamprey (Petromyzon marinus) with negligible endocrine activity in mammalian systems. Data concerning the superior direct anticancer activity of lGnRH-III have been published, raising questions on the structure-activity relationship. We synthesized 21 lGnRH-III analogs with rational amino acid substitutions and studied their effect on PC3 and LNCaP prostate cancer cell proliferation. Our results question the importance of the acidic charge of Asp⁶ for the antiproliferative activity and indicate the significance of the stereochemistry of Trp in positions 3 and 7. Furthermore, conjugation of an acetyl-group to the side chain of Lys⁸ or side chain cyclization of amino acids 1-8 increased the antiproliferative activity of lGnRH-III demonstrating that the proposed salt bridge between Asp⁶ and Lys⁸ is not crucial. Conformational studies of lGnRH-III were performed through NMR spectroscopy, and the solution structure of GnRH-I was solved. In solution, lGnRH-III adopts an extended backbone conformation in contrast to the well-defined β-turn conformation of GnRH-I. Copyright © 2012 Wiley Periodicals, Inc.

  5. Advanced Natural Gas Reciprocating Engines(s)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Zurlo, James

    The ARES program was initiated in 2001 to improve the overall brake thermal efficiency of stationary, natural gas, reciprocating engines. The ARES program is a joint award that is shared by Dresser, Inc., Caterpillar and Cummins. The ARES program was divided into three phases; ARES I (achieve 44% BTE), ARES II (achieve 47% BTE) and ARES III (achieve 50% BTE). Dresser, Inc. completed ARES I in March 2005 which resulted in the commercialization of the APG1000 product line. ARES II activities were completed in September 2010 and the technology developed is currently being integrated into products. ARES III activities beganmore » in October 2010. The ARES program goal is to improve the efficiency of natural gas reciprocating engines. The ARES project is structured in three phases with higher efficiency goals in each phase. The ARES objectives are as follows: 1. Achieve 44% (ARES I), 47% (ARES II), and 50% brake thermal efficiency (BTE) as a final ARES III objective 2. Achieve 0.1 g/bhp-hr NOx emissions (with after-treatment) 3. Reduce the cost of the produced electricity by 10% 4. Improve or maintain reliability, durability and maintenance costs« less

  6. Atomic Resolution Structure of the Oncolytic Parvovirus LuIII by Electron Microscopy and 3D Image Reconstruction

    PubMed Central

    Misseldine, Adam; Geilen, Lorena; Halder, Sujata; Smith, J. Kennon; Kurian, Justin; Chipman, Paul; Janssen, Mandy; Mckenna, Robert; Baker, Timothy S.; D’Abramo, Anthony; Cotmore, Susan; Tattersall, Peter; Agbandje-McKenna, Mavis

    2017-01-01

    LuIII, a protoparvovirus pathogenic to rodents, replicates in human mitotic cells, making it applicable for use to kill cancer cells. This virus group includes H-1 parvovirus (H-1PV) and minute virus of mice (MVM). However, LuIII displays enhanced oncolysis compared to H-1PV and MVM, a phenotype mapped to the major capsid viral protein 2 (VP2). This suggests that within LuIII VP2 are determinants for improved tumor lysis. To investigate this, the structure of the LuIII virus-like-particle was determined using single particle cryo-electron microscopy and image reconstruction to 3.17 Å resolution, and compared to the H-1PV and MVM structures. The LuIII VP2 structure, ordered from residue 37 to 587 (C-terminal), had the conserved VP topology and capsid morphology previously reported for other protoparvoviruses. This includes a core β-barrel and α-helix A, a depression at the icosahedral 2-fold and surrounding the 5-fold axes, and a single protrusion at the 3-fold axes. Comparative analysis identified surface loop differences among LuIII, H-1PV, and MVM at or close to the capsid 2- and 5-fold symmetry axes, and the shoulder of the 3-fold protrusions. The 2-fold differences cluster near the previously identified MVM sialic acid receptor binding pocket, and revealed potential determinants of protoparvovirus tumor tropism. PMID:29084163

  7. Structural Optimization Methodology for Rotating Disks of Aircraft Engines

    NASA Technical Reports Server (NTRS)

    Armand, Sasan C.

    1995-01-01

    In support of the preliminary evaluation of various engine technologies, a methodology has been developed for structurally designing the rotating disks of an aircraft engine. The structural design methodology, along with a previously derived methodology for predicting low-cycle fatigue life, was implemented in a computer program. An interface computer program was also developed that gathers the required data from a flowpath analysis program (WATE) being used at NASA Lewis. The computer program developed for this study requires minimum interaction with the user, thus allowing engineers with varying backgrounds in aeropropulsion to successfully execute it. The stress analysis portion of the methodology and the computer program were verified by employing the finite element analysis method. The 10th- stage, high-pressure-compressor disk of the Energy Efficient Engine Program (E3) engine was used to verify the stress analysis; the differences between the stresses and displacements obtained from the computer program developed for this study and from the finite element analysis were all below 3 percent for the problem solved. The computer program developed for this study was employed to structurally optimize the rotating disks of the E3 high-pressure compressor. The rotating disks designed by the computer program in this study were approximately 26 percent lighter than calculated from the E3 drawings. The methodology is presented herein.

  8. Unraveling the Mystery of the Blue Fog: Structure, Properties, and Applications of Amorphous Blue Phase III.

    PubMed

    Gandhi, Sahil Sandesh; Chien, Liang-Chy

    2017-12-01

    The amorphous blue phase III of cholesteric liquid crystals, also known as the "blue fog," are among the rising stars in materials science that can potentially be used to develop next-generation displays with the ability to compete toe-to-toe with disruptive technologies like organic light-emitting diodes. The structure and properties of the practically unobservable blue phase III have eluded scientists for more than a century since it was discovered. This progress report reviews the developments in this field from both fundamental and applied research perspectives. The first part of this progress report gives an overview of the 130-years-long scientific tour-de-force that very recently resulted in the revelation of the mysterious structure of blue phase III. The second part reviews progress made in the past decade in developing electrooptical, optical, and photonic devices based on blue phase III. The strong and weak aspects of the development of these devices are underlined and criticized, respectively. The third- and-final part proposes ideas for further improvement in blue phase III technology to make it feasible for commercialization and widespread use. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. 1. Photographic copy of engineering drawing showing structure of Test ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    1. Photographic copy of engineering drawing showing structure of Test Stand 'B' (4215/E-16), also known as the 'Short Snorter.' California Institute of Technology, Jet Propulsion Laboratory, Plant Engineering 'Structural Addition - Bldg. E-12, Edwards Test Station,' drawing no. E12/1-1, 8 August 1957. - Jet Propulsion Laboratory Edwards Facility, Test Stand B, Edwards Air Force Base, Boron, Kern County, CA

  10. Structural and Machine Design Using Piezoceramic Materials: A Guide for Structural Design Engineers

    NASA Technical Reports Server (NTRS)

    Inman, Daniel J.; Cudney, Harley H.

    2000-01-01

    Using piezoceramic materials is one way the design engineer can create structures which have an ability to both sense and respond to their environment. Piezoceramic materials can be used to create structural sensors and structural actuators. Because piezoceramic materials have transduction as a material property, their sensing or actuation functions are a result of what happens to the material. This is different than discrete devices we might attach to the structure. For example, attaching an accelerometer to a structure will yield an electrical signal proportional to the acceleration at the attachment point on the structure. Using a electromagnetic shaker as an actuator will create an applied force at the attachment point. Active material elements in a structural design are not easily modeled as providing transduction at a point, but rather they change the physics of the structure in the areas where they are used. Hence, a designer must not think of adding discrete devices to a structure to obtain an effect, but rather must design a structural system which accounts for the physical principles of all the elements in the structure. The purpose of this manual is to provide practicing engineers the information necessary to incorporate piezoelectric materials in structural design and machine design. First, we will review the solid-state physics of piezoelectric materials. Then we will discuss the physical characteristics of the electrical-active material-structural system. We will present the elements of this system which must be considered as part of the design task for a structural engineer. We will cover simple modeling techniques and review the features and capabilities of commercial design tools that are available. We will then cover practical how-to elements of working with piezoceramic materials. We will review sources of piezoceramic materials and built-up devices, and their characteristics. Finally, we will provide two design examples using piezoceramic

  11. Engineering NK Cells Modified With an EGFRvIII-specific Chimeric Antigen Receptor to Overexpress CXCR4 Improves Immunotherapy of CXCL12/SDF-1α-secreting Glioblastoma.

    PubMed

    Müller, Nadja; Michen, Susanne; Tietze, Stefanie; Töpfer, Katrin; Schulte, Alexander; Lamszus, Katrin; Schmitz, Marc; Schackert, Gabriele; Pastan, Ira; Temme, Achim

    2015-06-01

    Natural killer (NK) cells are promising effector cells for adjuvant immunotherapy of cancer. So far, several preclinical studies have shown the feasibility of gene-engineered NK cells, which upon expression of chimeric antigen receptors (CARs) are redirected to otherwise NK cell-resistant tumors. Yet, we reasoned that the efficiency of an immunotherapy using CAR-modified NK cells critically relies on efficient migration to the tumor site and might be improved by the engraftment of a receptor specific for a chemokine released by the tumor. On the basis of the DNAX-activation protein 12 (DAP12), a signaling adapter molecule involved in signal transduction of activating NK cell receptors, we constructed an epidermal growth factor variant III (EGFRvIII)-CAR, designated MR1.1-DAP12 which confers specific cytotoxicity of NK cell towards EGFRvIII glioblastoma cells in vitro and to established subcutaneous U87-MG tumor xenografts. So far, infusion of NK cells with expression of MR1.1-DAP12 caused a moderate but significantly delayed tumor growth and increased median survival time when compared with NK cells transduced with an ITAM-defective CAR. Notably, the further genetic engineering of these EGFRvIII-specific NK cells with the chemokine receptor CXCR4 conferred a specific chemotaxis to CXCL12/SDF-1α secreting U87-MG glioblastoma cells. Moreover, the administration of such NK cells resulted in complete tumor remission in a number of mice and a significantly increased survival when compared with the treatment of xenografts with NK cells expressing only the EGFRvIII-specific CAR or mock control. We conclude that chemokine receptor-engineered NK cells with concomitant expression of a tumor-specific CAR are a promising tool to improve adoptive tumor immunotherapy.

  12. Lutetium(iii) aqua ion: On the dynamical structure of the heaviest lanthanoid hydration complex

    NASA Astrophysics Data System (ADS)

    Sessa, Francesco; Spezia, Riccardo; D'Angelo, Paola

    2016-05-01

    The structure and dynamics of the lutetium(iii) ion in aqueous solution have been investigated by means of a polarizable force field molecular dynamics (MD). An 8-fold square antiprism (SAP) geometry has been found to be the dominant configuration of the lutetium(iii) aqua ion. Nevertheless, a low percentage of 9-fold complexes arranged in a tricapped trigonal prism (TTP) geometry has been also detected. Dynamic properties have been explored by carrying out six independent MD simulations for each of four different temperatures: 277 K, 298 K, 423 K, 632 K. The mean residence time of water molecules in the first hydration shell at room temperature has been found to increase as compared to the central elements of the lanthanoid series in agreement with previous experimental findings. Water exchange kinetic rate constants at each temperature and activation parameters of the process have been determined from the MD simulations. The obtained structural and dynamical results suggest that the water exchange process for the lutetium(iii) aqua ion proceeds with an associative mechanism, in which the SAP hydration complex undergoes temporary structural changes passing through a 9-fold TTP intermediate. Such results are consistent with the water exchange mechanism proposed for heavy lanthanoid atoms.

  13. Lutetium(III) aqua ion: On the dynamical structure of the heaviest lanthanoid hydration complex

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Sessa, Francesco; D’Angelo, Paola, E-mail: p.dangelo@uniroma1.it; Spezia, Riccardo

    2016-05-28

    The structure and dynamics of the lutetium(III) ion in aqueous solution have been investigated by means of a polarizable force field molecular dynamics (MD). An 8-fold square antiprism (SAP) geometry has been found to be the dominant configuration of the lutetium(III) aqua ion. Nevertheless, a low percentage of 9-fold complexes arranged in a tricapped trigonal prism (TTP) geometry has been also detected. Dynamic properties have been explored by carrying out six independent MD simulations for each of four different temperatures: 277 K, 298 K, 423 K, 632 K. The mean residence time of water molecules in the first hydration shellmore » at room temperature has been found to increase as compared to the central elements of the lanthanoid series in agreement with previous experimental findings. Water exchange kinetic rate constants at each temperature and activation parameters of the process have been determined from the MD simulations. The obtained structural and dynamical results suggest that the water exchange process for the lutetium(III) aqua ion proceeds with an associative mechanism, in which the SAP hydration complex undergoes temporary structural changes passing through a 9-fold TTP intermediate. Such results are consistent with the water exchange mechanism proposed for heavy lanthanoid atoms.« less

  14. Lutetium(iii) aqua ion: On the dynamical structure of the heaviest lanthanoid hydration complex.

    PubMed

    Sessa, Francesco; Spezia, Riccardo; D'Angelo, Paola

    2016-05-28

    The structure and dynamics of the lutetium(iii) ion in aqueous solution have been investigated by means of a polarizable force field molecular dynamics (MD). An 8-fold square antiprism (SAP) geometry has been found to be the dominant configuration of the lutetium(iii) aqua ion. Nevertheless, a low percentage of 9-fold complexes arranged in a tricapped trigonal prism (TTP) geometry has been also detected. Dynamic properties have been explored by carrying out six independent MD simulations for each of four different temperatures: 277 K, 298 K, 423 K, 632 K. The mean residence time of water molecules in the first hydration shell at room temperature has been found to increase as compared to the central elements of the lanthanoid series in agreement with previous experimental findings. Water exchange kinetic rate constants at each temperature and activation parameters of the process have been determined from the MD simulations. The obtained structural and dynamical results suggest that the water exchange process for the lutetium(iii) aqua ion proceeds with an associative mechanism, in which the SAP hydration complex undergoes temporary structural changes passing through a 9-fold TTP intermediate. Such results are consistent with the water exchange mechanism proposed for heavy lanthanoid atoms.

  15. Structure and spectroscopic study of aqueous Fe(III)-As(V) complexes using UV-Vis, XAS and DFT-TDDFT.

    PubMed

    Chai, Liyuan; Yang, Jinqin; Zhang, Ning; Wu, Pin-Jiun; Li, Qingzhu; Wang, Qingwei; Liu, Hui; Yi, Haibo

    2017-09-01

    Aqueous complexes between ferric (Fe(III)) and arsenate (As(V)) are indispensable for understanding the mobility of arsenic (As) in Fe(III)-As(V)-rich systems. In this study, aqueous Fe(III)-As(V) complexes, FeH 2 AsO 4 2+ and FeHAsO 4 + , were postulated based on the qualitative analysis of UV-Vis spectra in both Fe(III)-As(V)-HClO 4 and Fe(III)-As(V)-H 2 SO 4 systems. Subsequently, monodentate structures were evidenced by Fe K-edge EXAFS and modeled as [FeH 2 AsO 4 (H 2 O) 5 ] 2+ and [FeHAsO 4 (H 2 O) 5 ] + by DFT. The feature band at ∼280 nm was verified as electron excitation chiefly from Fe-As-bridged O atoms to d-orbital of Fe in [FeH 2 AsO 4 (H 2 O) 5 ] 2+ and [FeHAsO 4 (H 2 O) 5 ] + . The structural and spectral information of Fe(III)-As(V) complexes will enable future speciation analysis in Fe(III)-As(V)-rich system. Copyright © 2017. Published by Elsevier Ltd.

  16. A molecular engineering toolbox for the structural biologist.

    PubMed

    Debelouchina, Galia T; Muir, Tom W

    2017-01-01

    Exciting new technological developments have pushed the boundaries of structural biology, and have enabled studies of biological macromolecules and assemblies that would have been unthinkable not long ago. Yet, the enhanced capabilities of structural biologists to pry into the complex molecular world have also placed new demands on the abilities of protein engineers to reproduce this complexity into the test tube. With this challenge in mind, we review the contents of the modern molecular engineering toolbox that allow the manipulation of proteins in a site-specific and chemically well-defined fashion. Thus, we cover concepts related to the modification of cysteines and other natural amino acids, native chemical ligation, intein and sortase-based approaches, amber suppression, as well as chemical and enzymatic bio-conjugation strategies. We also describe how these tools can be used to aid methodology development in X-ray crystallography, nuclear magnetic resonance, cryo-electron microscopy and in the studies of dynamic interactions. It is our hope that this monograph will inspire structural biologists and protein engineers alike to apply these tools to novel systems, and to enhance and broaden their scope to meet the outstanding challenges in understanding the molecular basis of cellular processes and disease.

  17. New Tool Released for Engine-Airframe Blade-Out Structural Simulations

    NASA Technical Reports Server (NTRS)

    Lawrence, Charles

    2004-01-01

    Researchers at the NASA Glenn Research Center have enhanced a general-purpose finite element code, NASTRAN, for engine-airframe structural simulations during steady-state and transient operating conditions. For steady-state simulations, the code can predict critical operating speeds, natural modes of vibration, and forced response (e.g., cabin noise and component fatigue). The code can be used to perform static analysis to predict engine-airframe response and component stresses due to maneuver loads. For transient response, the simulation code can be used to predict response due to bladeoff events and subsequent engine shutdown and windmilling conditions. In addition, the code can be used as a pretest analysis tool to predict the results of the bladeout test required for FAA certification of new and derivative aircraft engines. Before the present analysis code was developed, all the major aircraft engine and airframe manufacturers in the United States and overseas were performing similar types of analyses to ensure the structural integrity of engine-airframe systems. Although there were many similarities among the analysis procedures, each manufacturer was developing and maintaining its own structural analysis capabilities independently. This situation led to high software development and maintenance costs, complications with manufacturers exchanging models and results, and limitations in predicting the structural response to the desired degree of accuracy. An industry-NASA team was formed to overcome these problems by developing a common analysis tool that would satisfy all the structural analysis needs of the industry and that would be available and supported by a commercial software vendor so that the team members would be relieved of maintenance and development responsibilities. Input from all the team members was used to ensure that everyone's requirements were satisfied and that the best technology was incorporated into the code. Furthermore, because the code

  18. New Tools Being Developed for Engine- Airframe Blade-Out Structural Simulations

    NASA Technical Reports Server (NTRS)

    Lawrence, Charles

    2003-01-01

    One of the primary concerns of aircraft structure designers is the accurate simulation of the blade-out event. This is required for the aircraft to pass Federal Aviation Administration (FAA) certification and to ensure that the aircraft is safe for operation. Typically, the most severe blade-out occurs when a first-stage fan blade in a high-bypass gas turbine engine is released. Structural loading results from both the impact of the blade onto the containment ring and the subsequent instantaneous unbalance of the rotating components. Reliable simulations of blade-out are required to ensure structural integrity during flight as well as to guarantee successful blade-out certification testing. The loads generated by these analyses are critical to the design teams for several components of the airplane structures including the engine, nacelle, strut, and wing, as well as the aircraft fuselage. Currently, a collection of simulation tools is used for aircraft structural design. Detailed high-fidelity simulation tools are used to capture the structural loads resulting from blade loss, and then these loads are used as input into an overall system model that includes complete structural models of both the engines and the airframe. The detailed simulation (shown in the figure) includes the time-dependent trajectory of the lost blade and its interactions with the containment structure, and the system simulation includes the lost blade loadings and the interactions between the rotating turbomachinery and the remaining aircraft structural components. General-purpose finite element structural analysis codes are typically used, and special provisions are made to include transient effects from the blade loss and rotational effects resulting from the engine s turbomachinery. To develop and validate these new tools with test data, the NASA Glenn Research Center has teamed with GE Aircraft Engines, Pratt & Whitney, Boeing Commercial Aircraft, Rolls-Royce, and MSC.Software.

  19. 7. Photograph of a line drawing. 'PART III, SECTION 1, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    7. Photograph of a line drawing. 'PART III, SECTION 1, EQUIPMENT LAYOUT, BUILDING NO. 10, PRODUCER GAS & EXHAUSTER BLDG., PLANT A.' From U.S. Army Corps of Engineers. Industrial Facilities Inventory, Holston Ordnance Works, Kingsport, Tennessee. Plant A, Parts I, II, III. (Nashville, TN: Office of District Engineer, 1944). - Holston Army Ammunition Plant, Producer Gas Plant, Kingsport, Sullivan County, TN

  20. Structural engineering masters level education framework of knowledge for the needs of initial professional practice

    NASA Astrophysics Data System (ADS)

    Balogh, Zsuzsa Enriko

    For at least the last decade, engineering, civil engineering, along with structural engineering as a profession within civil engineering, have and continue to face an emerging need for "Raising the Bar" of preparedness of young engineers seeking to become practicing professional engineers. The present consensus of the civil engineering profession is that the increasing need for broad and in-depth knowledge should require the young structural engineers to have at least a Masters-Level education. This study focuses on the Masters-Level preparedness in the structural engineering area within the civil engineering field. It follows much of the methodology used in the American Society of Civil Engineers (ASCE) Body of Knowledge determination for civil engineering and extends this type of study to better define the portion of the young engineers preparation beyond the undergraduate program for one specialty area of civil engineering. The objective of this research was to create a Framework of Knowledge for the young engineer which identifies and recognizes the needs of the profession, along with the profession's expectations of how those needs can be achieved in the graduate-level academic setting, in the practice environment, and through lifelong learning opportunities with an emphasis on the initial five years experience past completion of a Masters program in structural engineering. This study applied a modified Delphi method to obtain the critical information from members of the structural engineering profession. The results provide a Framework of Knowledge which will be useful to several groups seeking to better ensure the preparedness of the future young structural engineers at the Masters-Level.

  1. Engineered control of enzyme structural dynamics and function.

    PubMed

    Boehr, David D; D'Amico, Rebecca N; O'Rourke, Kathleen F

    2018-04-01

    Enzymes undergo a range of internal motions from local, active site fluctuations to large-scale, global conformational changes. These motions are often important for enzyme function, including in ligand binding and dissociation and even preparing the active site for chemical catalysis. Protein engineering efforts have been directed towards manipulating enzyme structural dynamics and conformational changes, including targeting specific amino acid interactions and creation of chimeric enzymes with new regulatory functions. Post-translational covalent modification can provide an additional level of enzyme control. These studies have not only provided insights into the functional role of protein motions, but they offer opportunities to create stimulus-responsive enzymes. These enzymes can be engineered to respond to a number of external stimuli, including light, pH, and the presence of novel allosteric modulators. Altogether, the ability to engineer and control enzyme structural dynamics can provide new tools for biotechnology and medicine. © 2018 The Protein Society.

  2. High-performance III-V MOSFET with nano-stacked high-k gate dielectric and 3D fin-shaped structure.

    PubMed

    Chen, Szu-Hung; Liao, Wen-Shiang; Yang, Hsin-Chia; Wang, Shea-Jue; Liaw, Yue-Gie; Wang, Hao; Gu, Haoshuang; Wang, Mu-Chun

    2012-08-01

    A three-dimensional (3D) fin-shaped field-effect transistor structure based on III-V metal-oxide-semiconductor field-effect transistor (MOSFET) fabrication has been demonstrated using a submicron GaAs fin as the high-mobility channel. The fin-shaped channel has a thickness-to-width ratio (TFin/WFin) equal to 1. The nano-stacked high-k Al2O3 dielectric was adopted as a gate insulator in forming a metal-oxide-semiconductor structure to suppress gate leakage. The 3D III-V MOSFET exhibits outstanding gate controllability and shows a high Ion/Ioff ratio > 105 and a low subthreshold swing of 80 mV/decade. Compared to a conventional Schottky gate metal-semiconductor field-effect transistor or planar III-V MOSFETs, the III-V MOSFET in this work exhibits a significant performance improvement and is promising for future development of high-performance n-channel devices based on III-V materials.

  3. High-performance III-V MOSFET with nano-stacked high-k gate dielectric and 3D fin-shaped structure

    PubMed Central

    2012-01-01

    A three-dimensional (3D) fin-shaped field-effect transistor structure based on III-V metal-oxide-semiconductor field-effect transistor (MOSFET) fabrication has been demonstrated using a submicron GaAs fin as the high-mobility channel. The fin-shaped channel has a thickness-to-width ratio (TFin/WFin) equal to 1. The nano-stacked high-k Al2O3 dielectric was adopted as a gate insulator in forming a metal-oxide-semiconductor structure to suppress gate leakage. The 3D III-V MOSFET exhibits outstanding gate controllability and shows a high Ion/Ioff ratio > 105 and a low subthreshold swing of 80 mV/decade. Compared to a conventional Schottky gate metal–semiconductor field-effect transistor or planar III-V MOSFETs, the III-V MOSFET in this work exhibits a significant performance improvement and is promising for future development of high-performance n-channel devices based on III-V materials. PMID:22853458

  4. Synthesis, spectroscopic and antimicrobial studies of La(III), Ce(III), Sm(III) and Y(III) Metformin HCl chelates.

    PubMed

    Refat, Moamen S; Al-Azab, Fathi M; Al-Maydama, Hussein M A; Amin, Ragab R; Jamil, Yasmin M S; Kobeasy, Mohamed I

    2015-05-05

    Metal complexes of Metformin hydrochloride were prepared using La(III), Ce(III), Sm(III) and Y(III). The resulting complexes were discussed and synthesized to serve as potential insulin-mimetic. Some physical properties and analytical data of the four complexes were checked. The elemental analysis shows that La(III), Ce(III) Sm(III) and Y(III) formed complexes with Metformin in 1:3 (metal:MF) molar ratio. All the synthesized complexes are white and possess high melting points. These complexes are soluble in dimethylsulfoxide and dimethylformamide, partially soluble in hot methanol and insoluble in water and some other organic solvents. From the spectroscopic (infrared, UV-vis and florescence), effective magnetic moment and elemental analyses data, the formula structures are suggested. The results obtained suggested that Metformin reacted with metal ions as a bidentate ligand through its two imino groups. The molar conductance measurements proved that the Metformin complexes are slightly electrolytic in nature. The kinetic thermodynamic parameters such as: E(∗), ΔH(∗), ΔS(∗) and ΔG(∗) were estimated from the DTG curves. The antibacterial evaluations of the Metformin and their complexes were also performed against some gram positive, negative bacteria as well as fungi. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. Interaction of curcumin with Al(III) and its complex structures based on experiments and theoretical calculations

    NASA Astrophysics Data System (ADS)

    Jiang, Teng; Wang, Long; Zhang, Sui; Sun, Ping-Chuan; Ding, Chuan-Fan; Chu, Yan-Qiu; Zhou, Ping

    2011-10-01

    Curcumin has been recognized as a potential natural drug to treat the Alzheimer's disease (AD) by chelating baleful metal ions, scavenging radicals and preventing the amyloid β (Aβ) peptides from the aggregation. In this paper, Al(III)-curcumin complexes with Al(III) were synthesized and characterized by liquid-state 1H, 13C and 27Al nuclear magnetic resonance (NMR), mass spectroscopy (MS), ultraviolet spectroscopy (UV) and generalized 2D UV-UV correlation spectroscopy. In addition, the density functional theory (DFT)-based UV and chemical shift calculations were also performed to view insight into the structures and properties of curcumin and its complexes. It was revealed that curcumin could interact strongly with Al(III) ion, and form three types of complexes under different molar ratios of [Al(III)]/[curcumin], which would restrain the interaction of Al(III) with the Aβ peptide, reducing the toxicity effect of Al(III) on the peptide.

  6. Structure of the alternative complex III in a supercomplex with cytochrome oxidase.

    PubMed

    Sun, Chang; Benlekbir, Samir; Venkatakrishnan, Padmaja; Wang, Yuhang; Hong, Sangjin; Hosler, Jonathan; Tajkhorshid, Emad; Rubinstein, John L; Gennis, Robert B

    2018-05-01

    Alternative complex III (ACIII) is a key component of the respiratory and/or photosynthetic electron transport chains of many bacteria 1-3 . Like complex III (also known as the bc 1 complex), ACIII catalyses the oxidation of membrane-bound quinol and the reduction of cytochrome c or an equivalent electron carrier. However, the two complexes have no structural similarity 4-7 . Although ACIII has eluded structural characterization, several of its subunits are known to be homologous to members of the complex iron-sulfur molybdoenzyme (CISM) superfamily 8 , including the proton pump polysulfide reductase 9,10 . We isolated the ACIII from Flavobacterium johnsoniae with native lipids using styrene maleic acid copolymer 11-14 , both as an independent enzyme and as a functional 1:1 supercomplex with an aa 3 -type cytochrome c oxidase (cyt aa 3 ). We determined the structure of ACIII to 3.4 Å resolution by cryo-electron microscopy and constructed an atomic model for its six subunits. The structure, which contains a [3Fe-4S] cluster, a [4Fe-4S] cluster and six haem c units, shows that ACIII uses known elements from other electron transport complexes arranged in a previously unknown manner. Modelling of the cyt aa 3 component of the supercomplex revealed that it is structurally modified to facilitate association with ACIII, illustrating the importance of the supercomplex in this electron transport chain. The structure also resolves two of the subunits of ACIII that are anchored to the lipid bilayer with N-terminal triacylated cysteine residues, an important post-translational modification found in numerous prokaryotic membrane proteins that has not previously been observed structurally in a lipid bilayer.

  7. Volatilization of arsenic from polluted soil by Pseudomonas putida engineered for expression of the arsM Arsenic(III) S-adenosine methyltransferase gene.

    PubMed

    Chen, Jian; Sun, Guo-Xin; Wang, Xiao-Xue; Lorenzo, Víctor de; Rosen, Barry P; Zhu, Yong-Guan

    2014-09-02

    Even though arsenic is one of the most widespread environmental carcinogens, methods of remediation are still limited. In this report we demonstrate that a strain of Pseudomonas putida KT2440 endowed with chromosomal expression of the arsM gene encoding the As(III) S-adenosylmethionine (SAM) methyltransfase from Rhodopseudomonas palustris to remove arsenic from contaminated soil. We genetically engineered the P. putida KT2440 with stable expression of an arsM-gfp fusion gene (GE P. putida), which was inserted into the bacterial chromosome. GE P. putida showed high arsenic methylation and volatilization activity. When exposed to 25 μM arsenite or arsenate overnight, most inorganic arsenic was methylated to the less toxic methylated arsenicals methylarsenate (MAs(V)), dimethylarsenate (DMAs(V)) and trimethylarsine oxide (TMAs(V)O). Of total added arsenic, the species were about 62 ± 2.2% DMAs(V), 25 ± 1.4% MAs(V) and 10 ± 1.2% TMAs(V)O. Volatilized arsenicals were trapped, and the predominant species were dimethylarsine (Me2AsH) (21 ± 1.0%) and trimethylarsine (TMAs(III)) (10 ± 1.2%). At later times, more DMAs(V) and volatile species were produced. Volatilization of Me2AsH and TMAs(III) from contaminated soil is thus possible with this genetically engineered bacterium and could be instrumental as an agent for reducing the inorganic arsenic content of soil and agricultural products.

  8. Russian Rocket Engine Test

    NASA Technical Reports Server (NTRS)

    1998-01-01

    NASA engineers successfully tested a Russian-built rocket engine on November 4, 1998 at the Marshall Space Flight Center (MSFC) Advanced Engine Test Facility, which had been used for testing the Saturn V F-1 engines and Space Shuttle Main engines. The MSFC was under a Space Act Agreement with Lockheed Martin Astronautics of Denver to provide a series of test firings of the Atlas III propulsion system configured with the Russian-designed RD-180 engine. The tests were designed to measure the performance of the Atlas III propulsion system, which included avionics and propellant tanks and lines, and how these components interacted with the RD-180 engine. The RD-180 is powered by kerosene and liquid oxygen, the same fuel mix used in Saturn rockets. The RD-180, the most powerful rocket engine tested at the MSFC since Saturn rocket tests in the 1960s, generated 860,000 pounds of thrust.

  9. 38. Photograph of a line drawing. 'PART III, SECTION 1, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    38. Photograph of a line drawing. 'PART III, SECTION 1, EQUIPMENT LAYOUT, BUILDINGS G-1 TO G-10 INCL., PURIFICATION, MANUFACTURING AREA, PLAN 'B'.' From U.S. Army Corps of Engineers. Industrial Facilities Inventory, Holston Ordnance Works, Kingsport, Tennessee. Plant B, Parts II, III. (Nashville, TN: Office of District Engineer, 1944). - Holston Army Ammunition Plant, RDX-and-Composition-B Manufacturing Line 9, Kingsport, Sullivan County, TN

  10. 43. Photograph of a line drawing. 'PART III, SECTION 1, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    43. Photograph of a line drawing. 'PART III, SECTION 1, EQUIPMENT LAYOUT, BUILDINGS H-1 TO H-10 INCL., GRINDING, MANUFACTURING AREA, PLANT 'B'.' From U.S. Army Corps of Engineers. Industrial Facilities Inventory, Holston Ordnance Works, Kingsport, Tennessee. Plant B, Parts II, III. (Nashville, TN: Office of the District Engineer, 1944). - Holston Army Ammunition Plant, RDX-and-Composition-B Manufacturing Line 9, Kingsport, Sullivan County, TN

  11. Structural investigations of Pu{sup III} phosphate by X-ray diffraction, MAS-NMR and XANES spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Popa, Karin; Raison, Philippe E., E-mail: philippe.raison@ec.europa.eu; Martel, Laura

    2015-10-15

    PuPO{sub 4} was prepared by a solid state reaction method and its crystal structure at room temperature was solved by powder X-ray diffraction combined with Rietveld refinement. High resolution XANES measurements confirm the +III valence state of plutonium, in agreement with valence bond derivation. The presence of the americium (as β{sup −} decay product of plutonium) in the +III oxidation state was determined based on XANES spectroscopy. High resolution solid state {sup 31}P NMR agrees with the XANES results and the presence of a solid-solution. - Graphical abstract: A full structural analysis of PuPO{sub 4} based on Rietveld analysis ofmore » room temperature X-ray diffraction data, XANES and MAS NMR measurements was performed. - Highlights: • The crystal structure of PuPO{sub 4} monazite is solved. • In PuPO{sub 4} plutonium is strictly trivalent. • The presence of a minute amount of Am{sup III} is highlighted. • We propose PuPO{sub 4} as a potential reference material for spectroscopic and microscopic studies.« less

  12. Crystal structure and solution species of Ce(III) and Ce(IV) formates: from mononuclear to hexanuclear complexes.

    PubMed

    Hennig, Christoph; Ikeda-Ohno, Atsushi; Kraus, Werner; Weiss, Stephan; Pattison, Philip; Emerich, Hermann; Abdala, Paula M; Scheinost, Andreas C

    2013-10-21

    Cerium(III) and cerium(IV) both form formate complexes. However, their species in aqueous solution and the solid-state structures are surprisingly different. The species in aqueous solutions were investigated with Ce K-edge EXAFS spectroscopy. Ce(III) formate shows only mononuclear complexes, which is in agreement with the predicted mononuclear species of Ce(HCOO)(2+) and Ce(HCOO)2(+). In contrast, Ce(IV) formate forms in aqueous solution a stable hexanuclear complex of [Ce6(μ3-O)4(μ3-OH)4(HCOO)x(NO3)y](12-x-y). The structural differences reflect the different influence of hydrolysis, which is weak for Ce(III) and strong for Ce(IV). Hydrolysis of Ce(IV) ions causes initial polymerization while complexation through HCOO(-) results in 12 chelate rings stabilizing the hexanuclear Ce(IV) complex. Crystals were grown from the above-mentioned solutions. Two crystal structures of Ce(IV) formate were determined. Both form a hexanuclear complex with a [Ce6(μ3-O)4(μ3-OH)4](12+) core in aqueous HNO3/HCOOH solution. The pH titration with NaOH resulted in a structure with the composition [Ce6(μ3-O)4(μ3-OH)4(HCOO)10(NO3)2(H2O)3]·(H2O)9.5, while the pH adjustment with NH3 resulted in [Ce6(μ3-O)4(μ3-OH)4(HCOO)10(NO3)4]·(NO3)3(NH4)5(H2O)5. Furthermore, the crystal structure of Ce(III) formate, Ce(HCOO)3, was determined. The coordination polyhedron is a tricapped trigonal prism which is formed exclusively by nine HCOO(-) ligands. The hexanuclear Ce(IV) formate species from aqueous solution is widely preserved in the crystal structure, whereas the mononuclear solution species of Ce(III) formate undergoes a polymerization during the crystallization process.

  13. Search and rescue in collapsed structures: engineering and social science aspects.

    PubMed

    El-Tawil, Sherif; Aguirre, Benigno

    2010-10-01

    This paper discusses the social science and engineering dimensions of search and rescue (SAR) in collapsed buildings. First, existing information is presented on factors that influence the behaviour of trapped victims, particularly human, physical, socioeconomic and circumstantial factors. Trapped victims are most often discussed in the context of structural collapse and injuries sustained. Most studies in this area focus on earthquakes as the type of disaster that produces the most extensive structural damage. Second, information is set out on the engineering aspects of urban search and rescue (USAR) in the United States, including the role of structural engineers in USAR operations, training and certification of structural specialists, and safety and general procedures. The use of computational simulation to link the engineering and social science aspects of USAR is discussed. This could supplement training of local SAR groups and USAR teams, allowing them to understand better the collapse process and how voids form in a rubble pile. A preliminary simulation tool developed for this purpose is described. © 2010 The Author(s). Journal compilation © Overseas Development Institute, 2010.

  14. Structure of Salmonella FlhE, conserved member of a flagellar Type III secretion operon

    DOE PAGES

    Lee, Jaemin; Monzingo, Arthur F.; Keatinge-Clay, Adrian T.; ...

    2014-12-26

    In this paper, the bacterial flagellum is assembled by a multicomponent transport apparatus categorized as a type III secretion system. The secretion of proteins that assemble into the flagellum is driven by the proton motive force. The periplasmic protein FlhE is a member of the flhBAE operon in the majority of bacteria where FlhE is found. FlhA and FlhB are established components of the flagellar type III secretion system. The absence of FlhE results in a proton leak through the flagellar system, inappropriate secretion patterns, and cell death, indicating that FlhE regulates an important aspect of proper flagellar biosynthesis. Wemore » isolated FlhE from the periplasm of Salmonella and solved its structure to 1.5 Å resolution. The structure reveals a β-sandwich fold, with no close structural homologs. Finally, possible roles of FlhE, including that of a chaperone, are discussed.« less

  15. Structure of Salmonella FlhE, conserved member of a flagellar Type III secretion operon

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lee, Jaemin; Monzingo, Arthur F.; Keatinge-Clay, Adrian T.

    In this paper, the bacterial flagellum is assembled by a multicomponent transport apparatus categorized as a type III secretion system. The secretion of proteins that assemble into the flagellum is driven by the proton motive force. The periplasmic protein FlhE is a member of the flhBAE operon in the majority of bacteria where FlhE is found. FlhA and FlhB are established components of the flagellar type III secretion system. The absence of FlhE results in a proton leak through the flagellar system, inappropriate secretion patterns, and cell death, indicating that FlhE regulates an important aspect of proper flagellar biosynthesis. Wemore » isolated FlhE from the periplasm of Salmonella and solved its structure to 1.5 Å resolution. The structure reveals a β-sandwich fold, with no close structural homologs. Finally, possible roles of FlhE, including that of a chaperone, are discussed.« less

  16. Microfabrication of hierarchical structures for engineered mechanical materials

    NASA Astrophysics Data System (ADS)

    Vera Canudas, Marc

    Materials found in nature present, in some cases, unique properties from their constituents that are of great interest in engineered materials for applications ranging from structural materials for the construction of bridges, canals and buildings to the fabrication of new lightweight composites for airplane and automotive bodies, to protective thin film coatings, amongst other fields. Research in the growing field of biomimetic materials indicates that the micro-architectures present in natural materials are critical to their macroscopic mechanical properties. A better understanding of the effect that structure and hierarchy across scales have on the material properties will enable engineered materials with enhanced properties. At the moment, very few theoretical models predict mechanical properties of simple materials based on their microstructures. Moreover these models are based on observations from complex biological systems. One way to overcome this challenge is through the use of microfabrication techniques to design and fabricate simple materials, more appropriate for the study of hierarchical organizations and microstructured materials. Arrays of structures with controlled geometry and dimension can be designed and fabricated at different length scales, ranging from a few hundred nanometers to centimeters, in order to mimic similar systems found in nature. In this thesis, materials have been fabricated in order to gain fundamental insight into the complex hierarchical materials found in nature and to engineer novel materials with enhanced mechanical properties. The materials fabricated here were mechanically characterized and compared to simple mechanics models to describe their behavior with the goal of applying the knowledge acquired to the design and synthesis of future engineered materials with novel properties.

  17. A molecular engineering toolbox for the structural biologist

    PubMed Central

    Debelouchina, Galia T.; Muir, Tom W.

    2018-01-01

    Exciting new technological developments have pushed the boundaries of structural biology, and have enabled studies of biological macromolecules and assemblies that would have been unthinkable not long ago. Yet, the enhanced capabilities of structural biologists to pry into the complex molecular world have also placed new demands on the abilities of protein engineers to reproduce this complexity into the test tube. With this challenge in mind, we review the contents of the modern molecular engineering toolbox that allow the manipulation of proteins in a site-specific and chemically well-defined fashion. Thus, we cover concepts related to the modification of cysteines and other natural amino acids, native chemical ligation, intein and sortase-based approaches, amber suppression, as well as chemical and enzymatic bio-conjugation strategies. We also describe how these tools can be used to aid methodology development in X-ray crystallography, nuclear magnetic resonance, cryo-electron microscopy and in the studies of dynamic interactions. It is our hope that this monograph will inspire structural biologists and protein engineers alike to apply these tools to novel systems, and to enhance and broaden their scope to meet the outstanding challenges in understanding the molecular basis of cellular processes and disease. PMID:29233219

  18. III-V/Ge MOS device technologies for low power integrated systems

    NASA Astrophysics Data System (ADS)

    Takagi, S.; Noguchi, M.; Kim, M.; Kim, S.-H.; Chang, C.-Y.; Yokoyama, M.; Nishi, K.; Zhang, R.; Ke, M.; Takenaka, M.

    2016-11-01

    CMOS utilizing high mobility III-V/Ge channels on Si substrates is expected to be one of the promising devices for high performance and low power integrated systems in the future technology nodes, because of the enhanced carrier transport properties. In addition, Tunneling-FETs (TFETs) using Ge/III-V materials are regarded as one of the most important steep slope devices for the ultra-low power applications. In this paper, we address the device and process technologies of Ge/III-V MOSFETs and TFETs on the Si CMOS platform. The channel formation, source/drain (S/D) formation and gate stack engineering are introduced for satisfying the device requirements. The plasma post oxidation to form GeOx interfacial layers is a key gate stack technology for Ge CMOS. Also, direct wafer bonding of ultrathin body quantum well III-V-OI channels, combined with Tri-gate structures, realizes high performance III-V n-MOSFETs on Si. We also demonstrate planar-type InGaAs and Ge/strained SOI TFETs. The defect-less p+-n source junction formation with steep impurity profiles is a key for high performance TFET operation.

  19. Spectroelectrochemical insights into structural and redox properties of immobilized endonuclease III and its catalytically inactive mutant

    NASA Astrophysics Data System (ADS)

    Moe, Elin; Rollo, Filipe; Silveira, Célia M.; Sezer, Murat; Hildebrandt, Peter; Todorovic, Smilja

    2018-01-01

    Endonuclease III is a Fe-S containing bifunctional DNA glycosylase which is involved in the repair of oxidation damaged DNA. Here we employ surface enhanced IR spectroelectrochemistry and electrochemistry to study the enzyme from the highly radiation- and desiccation-resistant bacterium Deinococcus radiodurans (DrEndoIII2). The experiments are designed to shed more light onto specific parameters that are currently proposed to govern damage search and recognition by endonucleases III. We demonstrate that electrostatic interactions required for the redox activation of DrEndoIII2 may result in high electric fields that alter its structural and thermodynamic properties. Analysis of inactive DrEndoIII2 (K132A/D150A double mutant) interacting with undamaged DNA, and the active enzyme interacting with damaged DNA also indicate that the electron transfer is modulated by subtle differences in the protein-DNA complex.

  20. V/III ratio effects on high quality InAlAs for quantum cascade laser structures

    NASA Astrophysics Data System (ADS)

    Demir, Ilkay; Elagoz, Sezai

    2017-04-01

    In this study we report the V/III ratio effects on growth, structural, optical and doping characteristics of low growth rate (∼1 Å/s) heteroepitaxial Metal Organic Chemical Vapor Deposition (MOCVD) grown InxAl1-xAs layers, a part of Quantum Cascade Laser (QCL) structures, on InP substrate. Especially photoluminescence (PL) properties of InAlAs-InP interface show strong dependence on AsH3 overpressure. We have shown that the V/III ratio with fixed metalorganic precursor flow is a crucial parameter on InxAl1-xAs layers to have a good material quality in terms of crystallinity, optical and electrical characteristics with and without doping.

  1. Detailed Post-Soft Impact Progressive Damage Assessment for Hybrid Structure Jet Engines

    NASA Technical Reports Server (NTRS)

    Siddens, Aaron; Bayandor, Javid; Celestina, Mark L.

    2014-01-01

    Currently, certification of engine designs for resistance to bird strike is reliant on physical tests. Predictive modeling of engine structural damage has mostly been limited to evaluation of individual forward section components, such as fan blades within a fixed frame of reference, to direct impact with a bird. Such models must be extended to include interactions among engine components under operating conditions to evaluate the full extent of engine damage. This paper presents the results of a study aim to develop a methodology for evaluating bird strike damage in advanced propulsion systems incorporating hybrid composite/metal structures. The initial degradation and failure of individual fan blades struck by a bird were investigated. Subsequent damage to other fan blades and engine components due to resultant violent fan assembly vibrations and fragmentation was further evaluated. Various modeling parameters for the bird and engine components were investigated to determine guidelines for accurately capturing initial damage and progressive failure of engine components. Then, a novel hybrid structure modeling approach was investigated and incorporated into the crashworthiness methodology. Such a tool is invaluable to the process of design, development, and certification of future advanced propulsion systems.

  2. New oxyfluorotellurates(IV): MTeO3F (M = FeIII, GaIII and CrIII).

    PubMed

    Laval, Jean Paul; Jennene Boukharrata, Nefla; Thomas, Philippe

    2008-02-01

    The crystal structures of the new isomorphous compounds iron(III) oxyfluorotellurate(IV), FeTeO(3)F, gallium(III) oxyfluorotellurate(IV), GaTeO(3)F, and chromium(III) oxyfluorotellurate(IV), CrTeO(3)F, consist of zigzag chains of MO(4)F(2) distorted octahedra alternately sharing O-O and F-F edges and connected via TeO(3) trigonal pyramids. A full O/F anionic ordering is observed and the electronic lone pair of the Te(IV) cation is stereochemically active.

  3. Russian Rocket Engine Test

    NASA Technical Reports Server (NTRS)

    1998-01-01

    NASA engineers successfully tested a Russian-built rocket engine on November 4, 1998 at the Marshall Space Flight Center (MSFC) Advanced Engine Test Facility, which had been used for testing the Saturn V F-1 engines and Space Shuttle Main engines. The MSFC was under a Space Act Agreement with Lockheed Martin Astronautics of Denver to provide a series of test firings of the Atlas III propulsion system configured with the Russian-designed RD-180 engine. The tests were designed to measure the performance of the Atlas III propulsion system, which included avionics and propellant tanks and lines, and how these components interacted with the RD-180 engine. The RD-180 is powered by kerosene and liquid oxygen, the same fuel mix used in Saturn rockets. The RD-180, the most powerful rocket engine tested at the MSFC since Saturn rocket tests in the 1960s, generated 860,000 pounds of thrust. The test was the first test ever anywhere outside Russia of a Russian designed and built engine.

  4. Isolatable organophosphorus(III)-tellurium heterocycles.

    PubMed

    Nordheider, Andreas; Chivers, Tristram; Schön, Oliver; Karaghiosoff, Konstantin; Athukorala Arachchige, Kasun S; Slawin, Alexandra M Z; Woollins, J Derek

    2014-01-13

    A new structural arrangement Te3 (RP(III) )3 and the first crystal structures of organophosphorus(III)-tellurium heterocycles are presented. The heterocycles can be stabilized and structurally characterized by the appropriate choice of substituents in Tem (P(III) R)n (m=1: n=2, R=OMes* (Mes*=supermesityl or 2,4,6-tri-tert-butylphenyl); n=3, R=adamantyl (Ad); n=4, R=ferrocene (Fc); m=n=3: R=trityl (Trt), Mesor by the installation of a P(V) 2 N2 anchor in RP(III) [TeP(V) (tBuN)(μ-NtBu)]2 (R=Ad, tBu). Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Probabilistic Multi-Scale, Multi-Level, Multi-Disciplinary Analysis and Optimization of Engine Structures

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.; Abumeri, Galib H.

    2000-01-01

    Aircraft engines are assemblies of dynamically interacting components. Engine updates to keep present aircraft flying safely and engines for new aircraft are progressively required to operate in more demanding technological and environmental requirements. Designs to effectively meet those requirements are necessarily collections of multi-scale, multi-level, multi-disciplinary analysis and optimization methods and probabilistic methods are necessary to quantify respective uncertainties. These types of methods are the only ones that can formally evaluate advanced composite designs which satisfy those progressively demanding requirements while assuring minimum cost, maximum reliability and maximum durability. Recent research activities at NASA Glenn Research Center have focused on developing multi-scale, multi-level, multidisciplinary analysis and optimization methods. Multi-scale refers to formal methods which describe complex material behavior metal or composite; multi-level refers to integration of participating disciplines to describe a structural response at the scale of interest; multidisciplinary refers to open-ended for various existing and yet to be developed discipline constructs required to formally predict/describe a structural response in engine operating environments. For example, these include but are not limited to: multi-factor models for material behavior, multi-scale composite mechanics, general purpose structural analysis, progressive structural fracture for evaluating durability and integrity, noise and acoustic fatigue, emission requirements, hot fluid mechanics, heat-transfer and probabilistic simulations. Many of these, as well as others, are encompassed in an integrated computer code identified as Engine Structures Technology Benefits Estimator (EST/BEST) or Multi-faceted/Engine Structures Optimization (MP/ESTOP). The discipline modules integrated in MP/ESTOP include: engine cycle (thermodynamics), engine weights, internal fluid mechanics

  6. Structural basis for midbody targeting of spastin by the ESCRT-III protein CHMP1B

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Yang, Dong; Rimanchi, Neggy; Renvoise, Benoit

    2009-01-15

    The endosomal sorting complex required for transport (ESCRT) machinery, including ESCRT-III, localizes to the midbody and participates in the membrane-abscission step of cytokinesis. The ESCRT-III protein charged multivesicular body protein 1B (CHMP1B) is required for recruitment of the MIT domain-containing protein spastin, a microtubule-severing enzyme, to the midbody. The 2.5-{angstrom} structure of the C-terminal tail of CHMP1B with the MIT domain of spastin reveals a specific, high-affinity complex involving a noncanonical binding site between the first and third helices of the MIT domain. The structural interface is twice as large as that of the MIT domain of the VPS4-CHMP complex,more » consistent with the high affinity of the interaction. A series of unique hydrogen-bonding interactions and close packing of small side chains discriminate against the other ten human ESCRT-III subunits. Point mutants in the CHMP1B binding site of spastin block recruitment of spastin to the midbody and impair cytokinesis.« less

  7. Spectroelectrochemical insights into structural and redox properties of immobilized endonuclease III and its catalytically inactive mutant.

    PubMed

    Moe, Elin; Rollo, Filipe; Silveira, Célia M; Sezer, Murat; Hildebrandt, Peter; Todorovic, Smilja

    2018-01-05

    Endonuclease III is a Fe-S containing bifunctional DNA glycosylase which is involved in the repair of oxidation damaged DNA. Here we employ surface enhanced IR spectroelectrochemistry and electrochemistry to study the enzyme from the highly radiation- and desiccation-resistant bacterium Deinococcus radiodurans (DrEndoIII 2 ). The experiments are designed to shed more light onto specific parameters that are currently proposed to govern damage search and recognition by endonucleases III. We demonstrate that electrostatic interactions required for the redox activation of DrEndoIII 2 may result in high electric fields that alter its structural and thermodynamic properties. Analysis of inactive DrEndoIII 2 (K132A/D150A double mutant) interacting with undamaged DNA, and the active enzyme interacting with damaged DNA also indicate that the electron transfer is modulated by subtle differences in the protein-DNA complex. Copyright © 2017 Elsevier B.V. All rights reserved.

  8. Volatilization of Arsenic from Polluted Soil by Pseudomonas putida Engineered for Expression of the arsM Arsenic(III) S-Adenosine Methyltransferase Gene

    PubMed Central

    2015-01-01

    Even though arsenic is one of the most widespread environmental carcinogens, methods of remediation are still limited. In this report we demonstrate that a strain of Pseudomonas putida KT2440 endowed with chromosomal expression of the arsM gene encoding the As(III) S-adenosylmethionine (SAM) methyltransfase from Rhodopseudomonas palustris to remove arsenic from contaminated soil. We genetically engineered the P. putida KT2440 with stable expression of an arsM-gfp fusion gene (GE P. putida), which was inserted into the bacterial chromosome. GE P. putida showed high arsenic methylation and volatilization activity. When exposed to 25 μM arsenite or arsenate overnight, most inorganic arsenic was methylated to the less toxic methylated arsenicals methylarsenate (MAs(V)), dimethylarsenate (DMAs(V)) and trimethylarsine oxide (TMAs(V)O). Of total added arsenic, the species were about 62 ± 2.2% DMAs(V), 25 ± 1.4% MAs(V) and 10 ± 1.2% TMAs(V)O. Volatilized arsenicals were trapped, and the predominant species were dimethylarsine (Me2AsH) (21 ± 1.0%) and trimethylarsine (TMAs(III)) (10 ± 1.2%). At later times, more DMAs(V) and volatile species were produced. Volatilization of Me2AsH and TMAs(III) from contaminated soil is thus possible with this genetically engineered bacterium and could be instrumental as an agent for reducing the inorganic arsenic content of soil and agricultural products. PMID:25122054

  9. Hydrothermal synthesis, crystal structure, and magnetic properties of a new inorganic vanadium(III) phosphate with a chain structure.

    PubMed

    Ferdov, Stanislav; Reis, Mario S; Lin, Zhi; Ferreira, Rute A Sá

    2008-11-03

    A new vanadium(III) phosphate, Na3V(OH)(HPO4)(PO4), has been synthesized by using mild hydrothermal conditions under autogeneous pressure. This material represents a very rare example of sodium vanadium(III) phosphate with a chain structure. The crystal structure has been determined by refinement of powder X-ray diffraction data, starting from the atomic coordinates of an isotypic compound, Na3Al(OH)(HPO4)(PO4), which was obtained under high temperature and high pressure. The phase crystallizes in monoclinic space group C2/m (No. 12) with lattice parameters a = 15.423(9) A, b = 7.280(0) A, c = 7.070(9) A, beta = 96.79(7) degrees, V = 788.3(9) A(3), and Z = 4. The structure consists of one-dimensional chains composed of corner-sharing VO5(OH) octahedra running along the b direction. They are decorated by isolated PO4 and HPO4 tetrahedra sharing two of their corners with the ones of the vanadium octahedra. The interconnection between the chains is assured by three crystallographically distinct Na(+) cations. Magnetic investigation confirms the 3+ oxidation state of the vanadium ions and reveals an antiferromagnetic arrangement between those ions through the chain.

  10. Fundamental Studies and Development of III-N Visible LEDs for High-Power Solid-State Lighting Applications

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Dupuis, Russell

    The goal of this program is to understand in a fundamental way the impact of strain, defects, polarization, and Stokes loss in relation to unique device structures upon the internal quantum efficiency (IQE) and efficiency droop (ED) of III-nitride (III-N) light-emitting diodes (LEDs) and to employ this understanding in the design and growth of high-efficiency LEDs capable of highly-reliable, high-current, high-power operation. This knowledge will be the basis for our advanced device epitaxial designs that lead to improved device performance. The primary approach we will employ is to exploit new scientific and engineering knowledge generated through the application of amore » set of unique advanced growth and characterization tools to develop new concepts in strain-, polarization-, and carrier dynamics-engineered and low-defect materials and device designs having reduced dislocations and improved carrier collection followed by efficient photon generation. We studied the effects of crystalline defect, polarizations, hole transport, electron-spillover, electron blocking layer, underlying layer below the multiplequantum- well active region, and developed high-efficiency and efficiency-droop-mitigated blue LEDs with a new LED epitaxial structures. We believe new LEDs developed in this program will make a breakthrough in the development of high-efficiency high-power visible III-N LEDs from violet to green spectral region.« less

  11. Vibration-based health monitoring and model refinement of civil engineering structures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Farrar, C.R.; Doebling, S.W.

    1997-10-01

    Damage or fault detection, as determined by changes in the dynamic properties of structures, is a subject that has received considerable attention in the technical literature beginning approximately 30 years ago. The basic idea is that changes in the structure`s properties, primarily stiffness, will alter the dynamic properties of the structure such as resonant frequencies and mode shapes, and properties derived from these quantities such as modal-based flexibility. Recently, this technology has been investigated for applications to health monitoring of large civil engineering structures. This presentation will discuss such a study undertaken by engineers from New Mexico Sate University, Sandiamore » National Laboratory and Los Alamos National Laboratory. Experimental modal analyses were performed in an undamaged interstate highway bridge and immediately after four successively more severe damage cases were inflicted in the main girder of the structure. Results of these tests provide insight into the abilities of modal-based damage ID methods to identify damage and the current limitations of this technology. Closely related topics that will be discussed are the use of modal properties to validate computer models of the structure, the use of these computer models in the damage detection process, and the general lack of experimental investigation of large civil engineering structures.« less

  12. Structural basis for energy transduction by respiratory alternative complex III.

    PubMed

    Sousa, Joana S; Calisto, Filipa; Langer, Julian D; Mills, Deryck J; Refojo, Patrícia N; Teixeira, Miguel; Kühlbrandt, Werner; Vonck, Janet; Pereira, Manuela M

    2018-04-30

    Electron transfer in respiratory chains generates the electrochemical potential that serves as energy source for the cell. Prokaryotes can use a wide range of electron donors and acceptors and may have alternative complexes performing the same catalytic reactions as the mitochondrial complexes. This is the case for the alternative complex III (ACIII), a quinol:cytochrome c/HiPIP oxidoreductase. In order to understand the catalytic mechanism of this respiratory enzyme, we determined the structure of ACIII from Rhodothermus marinus at 3.9 Å resolution by single-particle cryo-electron microscopy. ACIII presents a so-far unique structure, for which we establish the arrangement of the cofactors (four iron-sulfur clusters and six c-type hemes) and propose the location of the quinol-binding site and the presence of two putative proton pathways in the membrane. Altogether, this structure provides insights into a mechanism for energy transduction and introduces ACIII as a redox-driven proton pump.

  13. Response Sensitivity of Typical Aircraft Jet Engine Fan Blade-Like Structures to Bird Impacts.

    DTIC Science & Technology

    1982-05-01

    AIRCRAFT ENGINE BU--ETC F/G 21/5 RESPONSE SENSITIVITY OF TYPICAL AIRCRAFT JET ENGINE FAN BLADE -L...SENSITIVITY OF TYPICAL AIRCRAFT JET ENGINE FAN BLADE -LIKE STRUCTURES TO BIRD IMPACTS David P. Bauer Robert S. Bertke University of Dayton Research...COVERED RESPONSE SENSITIVITY OF TYPICAL AIRCRAFT FINAL REPORT JET ENGINE FAN BLADE -LIKE STRUCTURES Oct. 1977 to Jan. 1979 TO BIRD IMPACTS s.

  14. Fatigue Reliability of Gas Turbine Engine Structures

    NASA Technical Reports Server (NTRS)

    Cruse, Thomas A.; Mahadevan, Sankaran; Tryon, Robert G.

    1997-01-01

    The results of an investigation are described for fatigue reliability in engine structures. The description consists of two parts. Part 1 is for method development. Part 2 is a specific case study. In Part 1, the essential concepts and practical approaches to damage tolerance design in the gas turbine industry are summarized. These have evolved over the years in response to flight safety certification requirements. The effect of Non-Destructive Evaluation (NDE) methods on these methods is also reviewed. Assessment methods based on probabilistic fracture mechanics, with regard to both crack initiation and crack growth, are outlined. Limit state modeling techniques from structural reliability theory are shown to be appropriate for application to this problem, for both individual failure mode and system-level assessment. In Part 2, the results of a case study for the high pressure turbine of a turboprop engine are described. The response surface approach is used to construct a fatigue performance function. This performance function is used with the First Order Reliability Method (FORM) to determine the probability of failure and the sensitivity of the fatigue life to the engine parameters for the first stage disk rim of the two stage turbine. A hybrid combination of regression and Monte Carlo simulation is to use incorporate time dependent random variables. System reliability is used to determine the system probability of failure, and the sensitivity of the system fatigue life to the engine parameters of the high pressure turbine. 'ne variation in the primary hot gas and secondary cooling air, the uncertainty of the complex mission loading, and the scatter in the material data are considered.

  15. Combination of X-ray crystallography, SAXS and DEER to obtain the structure of the FnIII-3, 4 domains of integrin α6β4

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Alonso-García, Noelia; García-Rubio, Inés; Academia General Militar, Carretera de Huesca s/n, 50090 Zaragoza

    The structure of the FnIII-3, 4 region of integrin β4 was solved using a hybrid approach that combines crystallographic structures, SAXS, DEER and molecular modelling. The structure helps in understanding how integrin β4 might bind to other hemidesmosomal proteins and mediate signalling. Integrin α6β4 is a major component of hemidesmosomes that mediate the stable anchorage of epithelial cells to the underlying basement membrane. Integrin α6β4 has also been implicated in cell proliferation and migration and in carcinoma progression. The third and fourth fibronectin type III domains (FnIII-3, 4) of integrin β4 mediate binding to the hemidesmosomal proteins BPAG1e and BPAG2,more » and participate in signalling. Here, it is demonstrated that X-ray crystallography, small-angle X-ray scattering and double electron–electron resonance (DEER) complement each other to solve the structure of the FnIII-3, 4 region. The crystal structures of the individual FnIII-3 and FnIII-4 domains were solved and the relative arrangement of the FnIII domains was elucidated by combining DEER with site-directed spin labelling. Multiple structures of the interdomain linker were modelled by Monte Carlo methods complying with DEER constraints, and the final structures were selected against experimental scattering data. FnIII-3, 4 has a compact and cambered flat structure with an evolutionary conserved surface that is likely to correspond to a protein-interaction site. Finally, this hybrid method is of general application for the study of other macromolecules and complexes.« less

  16. Hydrothermal synthesis, crystal structure, luminescent and magnetic properties of a new mononuclear GdIII coordination complex

    NASA Astrophysics Data System (ADS)

    Coban, Mustafa Burak

    2018-06-01

    A new GdIII coordination complex, {[Gd(2-stp)2(H2O)6].2(4,4'-bipy).4(H2O)}, complex 1, (2-stp = 2-sulfoterephthalate anion and 4,4'-bipy = 4,4'-bipyridine), has been synthesized by hydrothermal method and characterized by elemental analysis, solid state UV-Vis and FT-IR spectroscopy, single-crystal X-ray diffraction, solid state photoluminescence and variable-temperature magnetic measurements. The crystal structure determination shows that GdIII ions are eight coordinated and adopt a distorted square-antiprismatic geometry. Molecules interacting through intra- and intermolecular (O-H⋯O, O-H⋯N) hydrogen bonds in complex 1, give rise to 3D hydrogen bonded structure and the discrete lattice 4,4'-bipy molecules occupy the channel of the 3D structure. π-π stacking interactions also exist 4,4'-bipy-4,4'-bipy and 4,4'-bipy-2-stp molecule rings in 3D structures. Additionally, solid state photoluminescence properties of complex 1 at room temperature have been investigated. Under the excitation of UV light (at 349 nm), the complex 1 exhibited green emissions (at 505 nm) of GdIII ion in the visible region. Furthermore, Variable-temperature magnetic susceptibility and isothermal magnetization as function of external magnetic field studies reveal that complex 1 displays possible antiferromagnetic interaction.

  17. Structure of a protective epitope of group B Streptococcus type III capsular polysaccharide.

    PubMed

    Carboni, Filippo; Adamo, Roberto; Fabbrini, Monica; De Ricco, Riccardo; Cattaneo, Vittorio; Brogioni, Barbara; Veggi, Daniele; Pinto, Vittoria; Passalacqua, Irene; Oldrini, Davide; Rappuoli, Rino; Malito, Enrico; Margarit, Immaculada Y Ros; Berti, Francesco

    2017-05-09

    Despite substantial progress in the prevention of group B Streptococcus (GBS) disease with the introduction of intrapartum antibiotic prophylaxis, this pathogen remains a leading cause of neonatal infection. Capsular polysaccharide conjugate vaccines have been tested in phase I/II clinical studies, showing promise for further development. Mapping of epitopes recognized by protective antibodies is crucial for understanding the mechanism of action of vaccines and for enabling antigen design. In this study, we report the structure of the epitope recognized by a monoclonal antibody with opsonophagocytic activity and representative of the protective response against type III GBS polysaccharide. The structure and the atomic-level interactions were determined by saturation transfer difference (STD)-NMR and X-ray crystallography using oligosaccharides obtained by synthetic and depolymerization procedures. The GBS PSIII epitope is made by six sugars. Four of them derive from two adjacent repeating units of the PSIII backbone and two of them from the branched galactose-sialic acid disaccharide contained in this sequence. The sialic acid residue establishes direct binding interactions with the functional antibody. The crystal structure provides insight into the molecular basis of antibody-carbohydrate interactions and confirms that the conformational epitope is not required for antigen recognition. Understanding the structural basis of immune recognition of capsular polysaccharide epitopes can aid in the design of novel glycoconjugate vaccines.

  18. Engineering nonspherical hollow structures with complex interiors by template-engaged redox etching.

    PubMed

    Wang, Zhiyu; Luan, Deyan; Li, Chang Ming; Su, Fabing; Madhavi, Srinivasan; Boey, Freddy Yin Chiang; Lou, Xiong Wen

    2010-11-17

    Despite the significant advancement in making hollow structures, one unsolved challenge in the field is how to engineer hollow structures with specific shapes, tunable compositions, and desirable interior structures. In particular, top-down engineering the interiors inside preformed hollow structures is still a daunting task. In this work, we demonstrate a facile approach for the preparation of a variety of uniform hollow structures, including Cu(2)O@Fe(OH)(x) nanorattles and Fe(OH)(x) cages with various shapes and dimensions by template-engaged redox etching of shape-controlled Cu(2)O crystals. The composition can be readily modulated at different structural levels to generate other interesting structures such as Cu(2)O@Fe(2)O(3) and Cu@Fe(3)O(4) rattles, as well as Fe(2)O(3) and Fe(3)O(4) cages. More remarkably, this strategy enables top-down engineering the interiors of hollow structures as demonstrated by the fabrication of double-walled nanorattles and nanoboxes, and even box-in-box structures. In addition, this approach is also applied to form Au and MnO(x) based hollow structures.

  19. Multi-physics damage sensing in nano-engineered structural composites.

    PubMed

    de Villoria, Roberto Guzmán; Yamamoto, Namiko; Miravete, Antonio; Wardle, Brian L

    2011-05-06

    Non-destructive evaluation techniques can offer viable diagnostic and prognostic routes to mitigating failures in engineered structures such as bridges, buildings and vehicles. However, existing techniques have significant drawbacks, including poor spatial resolution and limited in situ capabilities. We report here a novel approach where structural advanced composites containing electrically conductive aligned carbon nanotubes (CNTs) are ohmically heated via simple electrical contacts, and damage is visualized via thermographic imaging. Damage, in the form of cracks and other discontinuities, usefully increases resistance to both electrical and thermal transport in these materials, which enables tomographic full-field damage assessment in many cases. Characteristics of the technique include the ability for real-time measurement of the damage state during loading, low-power operation (e.g. 15 °C rise at 1 W), and beyond state-of-the-art spatial resolution for sensing damage in composites. The enhanced thermographic technique is a novel and practical approach for in situ monitoring to ascertain structural health and to prevent structural failures in engineered structures such as aerospace and automotive vehicles and wind turbine blades, among others.

  20. Multi-physics damage sensing in nano-engineered structural composites

    NASA Astrophysics Data System (ADS)

    Guzmán de Villoria, Roberto; Yamamoto, Namiko; Miravete, Antonio; Wardle, Brian L.

    2011-05-01

    Non-destructive evaluation techniques can offer viable diagnostic and prognostic routes to mitigating failures in engineered structures such as bridges, buildings and vehicles. However, existing techniques have significant drawbacks, including poor spatial resolution and limited in situ capabilities. We report here a novel approach where structural advanced composites containing electrically conductive aligned carbon nanotubes (CNTs) are ohmically heated via simple electrical contacts, and damage is visualized via thermographic imaging. Damage, in the form of cracks and other discontinuities, usefully increases resistance to both electrical and thermal transport in these materials, which enables tomographic full-field damage assessment in many cases. Characteristics of the technique include the ability for real-time measurement of the damage state during loading, low-power operation (e.g. 15 °C rise at 1 W), and beyond state-of-the-art spatial resolution for sensing damage in composites. The enhanced thermographic technique is a novel and practical approach for in situ monitoring to ascertain structural health and to prevent structural failures in engineered structures such as aerospace and automotive vehicles and wind turbine blades, among others.

  1. Simulation of Aircraft Engine Blade-Out Structural Dynamics

    NASA Technical Reports Server (NTRS)

    Lawrence, Charles; Carney, Kelly; Gallardo, Vicente

    2001-01-01

    A primary concern of aircraft structure designers is the accurate simulation of the blade-out event and the subsequent windmilling of the engine. Reliable simulations of the blade-out event are required to insure structural integrity during flight as well as to guarantee successful blade-out certification testing. The system simulation includes the lost blade loadings and the interactions between the rotating turbomachinery and the remaining aircraft structural components. General-purpose finite element structural analysis codes such as MSC NASTRAN are typically used and special provisions are made to include transient effects from the blade loss and rotational effects resulting from the engine's turbomachinery. The present study provides the equations of motion for rotordynamic response including the effect of spooldown speed and rotor unbalance and examines the effects of these terms on a cantilevered rotor. The effect of spooldown speed is found to be greater with increasing spooldown rate. The parametric term resulting from the mass unbalance has a more significant effect on the rotordynamic response than does the spooldown term. The parametric term affects both the peak amplitudes as well as the resonant frequencies of the rotor.

  2. Computer Education for Engineers, Part III.

    ERIC Educational Resources Information Center

    McCullough, Earl S.; Lofy, Frank J.

    1989-01-01

    Reports the results of the third survey of computer use in engineering education conducted in the fall of 1987 in comparing with 1981 and 1984 results. Summarizes survey data on computer course credits, languages, equipment use, CAD/CAM instruction, faculty access, and computer graphics. (YP)

  3. Spiral-structured, nanofibrous, 3D scaffolds for bone tissue engineering.

    PubMed

    Wang, Junping; Valmikinathan, Chandra M; Liu, Wei; Laurencin, Cato T; Yu, Xiaojun

    2010-05-01

    Polymeric nanofiber matrices have already been widely used in tissue engineering. However, the fabrication of nanofibers into complex three-dimensional (3D) structures is restricted due to current manufacturing techniques. To overcome this limitation, we have incorporated nanofibers onto spiral-structured 3D scaffolds made of poly (epsilon-caprolactone) (PCL). The spiral structure with open geometries, large surface areas, and porosity will be helpful for improving nutrient transport and cell penetration into the scaffolds, which are otherwise limited in conventional tissue-engineered scaffolds for large bone defects repair. To investigate the effect of structure and fiber coating on the performance of the scaffolds, three groups of scaffolds including cylindrical PCL scaffolds, spiral PCL scaffolds (without fiber coating), and spiral-structured fibrous PCL scaffolds (with fiber coating) have been prepared. The morphology, porosity, and mechanical properties of the scaffolds have been characterized. Furthermore, human osteoblast cells are seeded on these scaffolds, and the cell attachment, proliferation, differentiation, and mineralized matrix deposition on the scaffolds are evaluated. The results indicated that the spiral scaffolds possess porosities within the range of human trabecular bone and an appropriate pore structure for cell growth, and significantly lower compressive modulus and strength than cylindrical scaffolds. When compared with the cylindrical scaffolds, the spiral-structured scaffolds demonstrated enhanced cell proliferation, differentiation, and mineralization and allowed better cellular growth and penetration. The incorporation of nanofibers onto spiral scaffolds further enhanced cell attachment, proliferation, and differentiation. These studies suggest that spiral-structured nanofibrous scaffolds may serve as promising alternatives for bone tissue engineering applications. Copyright 2009 Wiley Periodicals, Inc.

  4. Structure and stability of hexa-aqua V(III) cations in vanadium redox flow battery electrolytes.

    PubMed

    Vijayakumar, M; Li, Liyu; Nie, Zimin; Yang, Zhenguo; Hu, JianZhi

    2012-08-07

    The vanadium(III) cation structure in mixed acid based electrolyte solution from vanadium redox flow batteries is studied by (17)O and (35/37)Cl nuclear magnetic resonance (NMR) spectroscopy, electronic spectroscopy and density functional theory (DFT) based computational modelling. Both computational and experimental results reveal that the V(III) species can complex with counter anions (sulfate/chlorine) depending on the composition of its solvation sphere. By analyzing the powder precipitate it was found that the formation of sulfate complexed V(III) species is the crucial process in the precipitation reaction. The precipitation occurs through nucleation of neutral species formed through deprotonation and ion-pair formation process. However, the powder precipitate shows a multiphase nature which warrants multiple reaction pathways for precipitation reaction.

  5. Syntheses, crystal structures, and properties of six new lanthanide(III) transition metal tellurium(IV) oxyhalides with three types of structures.

    PubMed

    Shen, Yue-Ling; Mao, Jiang-Gao

    2005-07-25

    Solid-state reactions of lanthanide(III) oxide (and lanthanide(III) oxyhalide), transition metal halide (and transition metal oxide), and TeO(2) at high temperature lead to six new lanthanide transition metal tellurium(IV) oxyhalides with three different types of structures, namely, DyCuTe(2)O(6)Cl, ErCuTe(2)O(6)Cl, ErCuTe(2)O(6)Br, Sm(2)Mn(Te(5)O(13))Cl(2), Dy(2)Cu(Te(5)O(13))Br(2), and Nd(4)Cu(TeO(3))(5)Cl(3). Compounds DyCuTe(2)O(6)Cl, ErCuTe(2)O(6)Cl, and ErCuTe(2)O(6)Br are isostructural. The lanthanide(III) ion is eight-coordinated by eight oxygen atoms, and the copper(II) ion is five-coordinated by four oxygens and a halide anion in a distorted square pyramidal geometry. The interconnection of Ln(III) and Cu(II) ions by bridging tellurite anions results in a three-dimensional (3D) network with tunnels along the a-axis; the halide anion and the lone-pair electrons of the tellurium(IV) ions are oriented toward the cavities of the tunnels. Compounds Sm(2)Mn(Te(5)O(13))Cl(2) and Dy(2)Cu(Te(5)O(13))Br(2) are isostructural. The lanthanide(III) ions are eight-coordinated by eight oxygens, and the divalent transition metal ion is octahedrally coordinated by six oxygens. Two types of polymeric tellurium(IV) oxide anions are formed: Te(3)O(8)(4)(-) and Te(4)O(10)(4)(-). The interconnection of the lanthanide(III) and divalent transition metal ions by the above two types of polymeric tellurium(IV) oxide anions leads to a 3D network with long, narrow-shaped tunnels along the b-axis. The halide anions remain isolated and are located at the above tunnels. Nd(4)Cu(TeO(3))(5)Cl(3) features a different structure. All five of the Nd(III) ions are eight-coordinated (NdO(8) for Nd(1), Nd(2), Nd(4), and Nd(5) and NdO(7)Cl for Nd(3)), and the copper(I) ion is tetrahedrally coordinated by four chloride anions. The interconnection of Nd(III) ions by bridging tellurite anions resulted in a 3D network with large tunnels along the b-axis. The CuCl(4) tetrahedra are interconnected into

  6. Pentanuclear heterometallic {Mn(III)(2)Ln(3)} (Ln = Gd, Dy, Tb, Ho) assemblies in an open-book type structural topology: appearance of slow relaxation of magnetization in the Dy(III) and Ho(III) analogues.

    PubMed

    Bag, Prasenjit; Chakraborty, Amit; Rogez, Guillaume; Chandrasekhar, Vadapalli

    2014-07-07

    The reaction of Ln(III) nitrate and Mn(ClO4)2·6H2O salts in the presence of a multidentate sterically unencumbered ligand, (E)-2,2'-(2-hydroxy-3-((2-hydroxyphenylimino)methyl)-5-methylbenzylazanediyl)diethanol (LH4) leads to the isolation of four isostructural pentanuclear hetereometallic complexes [Mn(III)2Gd3(LH)4(NO3)(HOCH3)]ClO4·NO3 (1), [Mn(III)2Dy3(LH)4(NO3)(HOCH3)]ClO4·NO3 (2), [Mn(III)2Tb3(LH)4(NO3)(HOCH3)]ClO4·NO3 (3), and [Mn(III)2Ho3(LH)4(NO3)(HOCH3)]ClO4·NO3 (4) with an open-book type structural topology. 1-4 are dicationic and crystallize in the achiral space group, P21/n. A total of four triply deprotonated ligands, [LH](3-), are involved in holding the pentameric metal framework, {Mn(III)2Ln3}. In these complexes both the lanthanide and the manganese(III) ions are doubly bridged, involving phenolate or ethoxide oxygen atoms. The magnetochemical analysis reveals the presence of global antiferromagnetic interactions among the spin centers at low temperatures in all the four compounds. AC susceptibility measurements show the presence of temperature dependent out-of-phase ac signal for compounds 2 and 4 indicating an SMM behavior.

  7. New Insights into Structure and Luminescence of Eu III and Sm III Complexes of the 3,4,3-LI(1,2-HOPO) Ligand

    DOE PAGES

    Daumann, Lena J.; Tatum, David S.; Snyder, Benjamin E. R.; ...

    2015-01-21

    We report the preparation and new insight into photophysical properties of luminescent hydroxypyridonate complexes [M IIIL] - (M = Eu or Sm) of the versatile 3,4,3-LI(1,2-HOPO) ligand (L). We report the crystal structure of this ligand with EuIII as well as insights into the coordination behavior and geometry in solution by using magnetic circular dichroism. In addition TD-DFT calculations were used to examine the excited states of the two different chromophores present in the 3,4,3-LI(1,2-HOPO) ligand. We find that the Eu III and Sm III complexes of this ligand undergo a transformation after in situ preparation to yield complexes withmore » higher quantum yield (QY) over time. We propose that the lower QY in the in situ complexes is not only due to water quenching but could also be due to a lower degree of f-orbital overlap (in a kinetic isomer) as indicated by magnetic circular dichroism measurements.« less

  8. Fe(II) sorption on pyrophyllite: Effect of structural Fe(III) (impurity) in pyrophyllite on nature of layered double hydroxide (LDH) secondary mineral formation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Starcher, Autumn N.; Li, Wei; Kukkadapu, Ravi K.

    Fe(II)-Al(III)-LDH (layered double hydroxide) phases have been shown to form from reactions of aqueous Fe(II) with Fe-free Al-bearing minerals (phyllosilicate/clays and Al-oxides). To our knowledge, the effect of small amounts of structural Fe(III) impurities in “neutral” clays on such reactions, however, were not studied. In this study to understand the role of structural Fe(III) impurity in clays, laboratory batch studies with pyrophyllite (10 g/L), an Al-bearing phyllosilicate, containing small amounts of structural Fe(III) impurities and 0.8 mM and 3 mM Fe(II) (both natural and enriched in 57Fe) were carried out at pH 7.5 under anaerobic conditions (4% H2 – 96%more » N2 atmosphere). Samples were taken up to 4 weeks for analysis by Fe-X-ray absorption spectroscopy and 57Fe Mössbauer spectroscopy. In addition to the precipitation of Fe(II)-Al(III)-LDH phases as observed in earlier studies with pure minerals (no Fe(III) impurities in the minerals), the analyses indicated formation of small amounts of Fe(III) containing solid(s), most probably hybrid a Fe(II)-Al(III)/Fe(III)-LDH phase. The mechanism of Fe(II) oxidation was not apparent but most likely was due to interfacial electron transfer from the sorbed Fe(II) to the structural Fe(III) and/or surface-sorption-induced electron-transfer from the sorbed Fe(II) to the clay lattice. Increase in the Fe(II)/Al ratio of the LDH with reaction time further indicated the complex nature of the samples. This research provides evidence for the formation of both Fe(II)-Al(III)-LDH and Fe(II)-Fe(III)/Al(III)-LDH-like phases during reactions of Fe(II) in systems that mimic the natural environments. Better understanding Fe phase formation in complex laboratory studies will improve models of natural redox systems.« less

  9. Opposite effects of dissolved oxygen on the removal of As(III) and As(V) by carbonate structural Fe(II).

    PubMed

    Tian, Zeyuan; Feng, Yong; Guan, Yiyi; Shao, Binbin; Zhang, Yalei; Wu, Deli

    2017-12-05

    Freshly prepared carbonate structural Fe(II) (CSF) was used to immobilize As(III) and As(V) in wastewater under oxic and anoxic conditions. Dissolved oxygen was found to exert opposite effects on these two arsenic species. The sorption density of As(III) was higher under oxic conditions, whereas that of As(V) was higher under anoxic conditions. X-ray diffraction and infrared spectroscopic analyses indicated that crystalline parasymplesite (Fe(II) 3 (AsO 4 ) 2 ·8H 2 O) was formed when As(V) was removed under anoxic conditions, while an amorphous Fe-As-containing precipitate was formed when As(III) was removed under oxic conditions. The distribution of arsenic and iron between the solution and sediments suggested that the oxidation of structural Fe(II) promoted coprecipitation process and inhibited surface complexation. X-ray photoelectron spectroscopic analyses revealed that more As(III) was oxidized under oxic condition, which contributed to a higher sorption capacity for As(III). The formation of parasymplesite through surface complexation/precipitation was proposed to be more effective for the removal of As(V) by CSF, while As(III) was more efficiently removed through coprecipitation. Together, the results suggest that CSF may be an effective material for sequestering both As(III) and As(V). In addition, attention should be paid to the dissolved oxygen content when remediating different arsenic species.

  10. Core Engine Noise Control Program. Volume III. Prediction Methods

    DTIC Science & Technology

    1974-08-01

    turbofan engines , and Method (C) is based on an analytical description of viscous wake interaction between adjoining blade rows. Turbine Tone/ Jet ...levels for turbojet , turboshaft and turbofan engines . The turbojet data correlate highest and the turbofan data correlate lowest. Turbine Noise Noise...different engines were examined for combustor, jet and fan noise. Tnree turbojet , two turboshaft and two turbofan

  11. Impacts of engineered nanomaterials on microbial community structure and function in natural and engineered ecosystems.

    PubMed

    Mohanty, Anee; Wu, Yichao; Cao, Bin

    2014-10-01

    In natural and engineered environments, microorganisms often exist as complex communities, which are key to the health of ecosystems and the success of bioprocesses in various engineering applications. With the rapid development of nanotechnology in recent years, engineered nanomaterials (ENMs) have been considered one type of emerging contaminants that pose great potential risks to the proper function of microbial communities in natural and engineered ecosystems. The impacts of ENMs on microorganisms have attracted increasing research attentions; however, most studies focused on the antimicrobial activities of ENMs at single cell and population level. Elucidating the influence of ENMs on microbial communities represents a critical step toward a comprehensive understanding of the ecotoxicity of ENMs. In this mini-review, we summarize and discuss recent research work on the impacts of ENMs on microbial communities in natural and engineered ecosystems, with an emphasis on their influences on the community structure and function. We also highlight several important research topics which may be of great interest to the research community.

  12. Materials and structural aspects of advanced gas-turbine helicopter engines

    NASA Technical Reports Server (NTRS)

    Freche, J. C.; Acurio, J.

    1979-01-01

    The key to improved helicopter gas turbine engine performance lies in the development of advanced materials and advanced structural and design concepts. The modification of the low temperature components of helicopter engines (such as the inlet particle separator), the introduction of composites for use in the engine front frame, the development of advanced materials with increased use-temperature capability for the engine hot section, can result in improved performance and/or decreased engine maintenance cost. A major emphasis in helicopter engine design is the ability to design to meet a required lifetime. This, in turn, requires that the interrelated aspects of higher operating temperatures and pressures, cooling concepts, and environmental protection schemes be integrated into component design. The major material advances, coatings, and design life-prediction techniques pertinent to helicopter engines are reviewed; the current state-of-the-art is identified; and when appropriate, progress, problems, and future directions are assessed.

  13. Engineering of III-Nitride Semiconductors on Low Temperature Co-fired Ceramics.

    PubMed

    Mánuel, J M; Jiménez, J J; Morales, F M; Lacroix, B; Santos, A J; García, R; Blanco, E; Domínguez, M; Ramírez, M; Beltrán, A M; Alexandrov, D; Tot, J; Dubreuil, R; Videkov, V; Andreev, S; Tzaneva, B; Bartsch, H; Breiling, J; Pezoldt, J; Fischer, M; Müller, J

    2018-05-02

    This work presents results in the field of advanced substrate solutions in order to achieve high crystalline quality group-III nitrides based heterostructures for high frequency and power devices or for sensor applications. With that objective, Low Temperature Co-fired Ceramics has been used, as a non-crystalline substrate. Structures like these have never been developed before, and for economic reasons will represent a groundbreaking material in these fields of Electronic. In this sense, the report presents the characterization through various techniques of three series of specimens where GaN was deposited on this ceramic composite, using different buffer layers, and a singular metal-organic chemical vapor deposition related technique for low temperature deposition. Other single crystalline ceramic-based templates were also utilized as substrate materials, for comparison purposes.

  14. Structure and biophysics of type III secretion in bacteria.

    PubMed

    Chatterjee, Srirupa; Chaudhury, Sukanya; McShan, Andrew C; Kaur, Kawaljit; De Guzman, Roberto N

    2013-04-16

    Many plant and animal bacterial pathogens assemble a needle-like nanomachine, the type III secretion system (T3SS), to inject virulence proteins directly into eukaryotic cells to initiate infection. The ability of bacteria to inject effectors into host cells is essential for infection, survival, and pathogenesis for many Gram-negative bacteria, including Salmonella, Escherichia, Shigella, Yersinia, Pseudomonas, and Chlamydia spp. These pathogens are responsible for a wide variety of diseases, such as typhoid fever, large-scale food-borne illnesses, dysentery, bubonic plague, secondary hospital infections, and sexually transmitted diseases. The T3SS consists of structural and nonstructural proteins. The structural proteins assemble the needle apparatus, which consists of a membrane-embedded basal structure, an external needle that protrudes from the bacterial surface, and a tip complex that caps the needle. Upon host cell contact, a translocon is assembled between the needle tip complex and the host cell, serving as a gateway for translocation of effector proteins by creating a pore in the host cell membrane. Following delivery into the host cytoplasm, effectors initiate and maintain infection by manipulating host cell biology, such as cell signaling, secretory trafficking, cytoskeletal dynamics, and the inflammatory response. Finally, chaperones serve as regulators of secretion by sequestering effectors and some structural proteins within the bacterial cytoplasm. This review will focus on the latest developments and future challenges concerning the structure and biophysics of the needle apparatus.

  15. Use of proline mutants to help solve the NMR solution structure of type III antifreeze protein.

    PubMed Central

    Chao, H.; Davies, P. L.; Sykes, B. D.; Sönnichsen, F. D.

    1993-01-01

    To help understand the structure/function relationships in antifreeze proteins (AFP), and to define the motifs required for ice binding, a Type III AFP suitable for two-dimensional (2D) NMR studies was produced in Escherichia coli. A synthetic gene for one of the Type III AFP isoforms was assembled in a T7 polymerase-directed expression vector. The 67-amino acid-long gene product differed from the natural AFP by inclusion of an N-terminal methionine but was indistinguishable in activity. The NMR spectra of this AFP were complicated by cis-trans proline isomerization from the C-terminal sequence YPPA. Substitution of this sequence by YAA eliminated isomer signals without altering the activity or structure of the mutant AFP. This variant (rQAE m1.1) was selected for sequential assignment and the secondary structure determination using 2D 1H NMR spectroscopy. Nine beta-strands are paired to form two triple-stranded antiparallel sheets and one double-stranded antiparallel sheet. Two further proline replacements, P29A and P33A, were made to delineate the role of conserved prolines in Type III AFP. These mutants were valuable in clarifying ambiguous NMR spectral assignments amongst the remaining six prolines of rQAE m1.1. In contrast to the replacement of the C-terminal prolyl residues, the exchange of P29 and P33 caused some structural changes and significantly decreased protein solubility and antifreeze activity. PMID:8401227

  16. System Engineering Paper

    NASA Technical Reports Server (NTRS)

    Heise, James; Hull, Bethanne J.; Bauer, Jonathan; Beougher, Nathan G.; Boe, Caleb; Canahui, Ricardo; Charles, John P.; Cooper, Zachary Davis Job; DeShaw, Mark A.; Fontanella, Luan Gasparetto; hide

    2012-01-01

    The Iowa State University team, Team LunaCY, is composed of the following sub-teams: the main student organization, the Lunabotics Club; a senior mechanical engineering design course, ME 415; a senior multidisciplinary design course, ENGR 466; and a senior design course from Wartburg College in Waverly, Iowa. Team LunaCY designed and fabricated ART-E III, Astra Robotic Tractor- Excavator the Third, for the team's third appearance in the NASA Lunabotic Mining competition. While designing ART-E III, the team had four main goals for this year's competition:to reduce the total weight of the robot, to increase the amount of regolith simulant mined, to reduce dust, and to make ART-E III autonomous. After many designs and research, a final robot design was chosen that obtained all four goals of Team LunaCY. A few changes Team LunaCY made this year was to go to the electrical, computer, and software engineering club fest at Iowa State University to recruit engineering students to accomplish the task of making ART-E III autonomous. Team LunaCY chose to use LabView to program the robot and various sensors were installed to measure the distance between the robot and the surroundings to allow ART-E III to maneuver autonomously. Team LunaCY also built a testing arena to test prototypes and ART-E III in. To best replicate the competition arena at the Kennedy Space Center, a regolith simulant was made from sand, QuickCrete, and fly ash to cover the floor of the arena. Team LunaCY also installed fans to allow ventilation in the arena and used proper safety attire when working in the arena . With the additional practice in the testing arena and innovative robot design, Team LunaCY expects to make a strong appearance at the 2012 NASA Lunabotic Mining Competition. .

  17. Rational Modular RNA Engineering Based on In Vivo Profiling of Structural Accessibility.

    PubMed

    Leistra, Abigail N; Amador, Paul; Buvanendiran, Aishwarya; Moon-Walker, Alex; Contreras, Lydia M

    2017-12-15

    Bacterial small RNAs (sRNAs) have been established as powerful parts for controlling gene expression. However, development and application of engineered sRNAs has primarily focused on regulating novel synthetic targets. In this work, we demonstrate a rational modular RNA engineering approach that uses in vivo structural accessibility measurements to tune the regulatory activity of a multisubstrate sRNA for differential control of its native target network. Employing the CsrB global sRNA regulator as a model system, we use published in vivo structural accessibility data to infer the contribution of its local structures (substructures) to function and select a subset for engineering. We then modularly recombine the selected substructures, differentially representing those of presumed high or low functional contribution, to build a library of 21 CsrB variants. Using fluorescent translational reporter assays, we demonstrate that the CsrB variants achieve a 5-fold gradient of control of well-characterized Csr network targets. Interestingly, results suggest that less conserved local structures within long, multisubstrate sRNAs may represent better targets for rational engineering than their well-conserved counterparts. Lastly, mapping the impact of sRNA variants on a signature Csr network phenotype indicates the potential of this approach for tuning the activity of global sRNA regulators in the context of metabolic engineering applications.

  18. Single-layer group IV-V and group V-IV-III-VI semiconductors: Structural stability, electronic structures, optical properties, and photocatalysis

    NASA Astrophysics Data System (ADS)

    Lin, Jia-He; Zhang, Hong; Cheng, Xin-Lu; Miyamoto, Yoshiyuki

    2017-07-01

    Recently, single-layer group III monochalcogenides have attracted both theoretical and experimental interest at their potential applications in photonic devices, electronic devices, and solar energy conversion. Excited by this, we theoretically design two kinds of highly stable single-layer group IV-V (IV =Si ,Ge , and Sn; V =N and P) and group V-IV-III-VI (IV =Si ,Ge , and Sn; V =N and P; III =Al ,Ga , and In; VI =O and S) compounds with the same structures with single-layer group III monochalcogenides via first-principles simulations. By using accurate hybrid functional and quasiparticle methods, we show the single-layer group IV-V and group V-IV-III-VI are indirect bandgap semiconductors with their bandgaps and band edge positions conforming to the criteria of photocatalysts for water splitting. By applying a biaxial strain on single-layer group IV-V, single-layer group IV nitrides show a potential on mechanical sensors due to their bandgaps showing an almost linear response for strain. Furthermore, our calculations show that both single-layer group IV-V and group V-IV-III-VI have absorption from the visible light region to far-ultraviolet region, especially for single-layer SiN-AlO and SnN-InO, which have strong absorption in the visible light region, resulting in excellent potential for solar energy conversion and visible light photocatalytic water splitting. Our research provides valuable insight for finding more potential functional two-dimensional semiconductors applied in optoelectronics, solar energy conversion, and photocatalytic water splitting.

  19. Comparative serum albumin interactions and antitumor effects of Au(III) and Ga(III) ions.

    PubMed

    Sarioglu, Omer Faruk; Ozdemir, Ayse; Karaboduk, Kuddusi; Tekinay, Turgay

    2015-01-01

    In the present study, interactions of Au(III) and Ga(III) ions on human serum albumin (HSA) were studied comparatively via spectroscopic and thermal analysis methods: UV-vis absorbance spectroscopy, fluorescence spectroscopy, Fourier transform infrared (FT-IR) spectroscopy and isothermal titration calorimetry (ITC). The potential antitumor effects of these ions were studied on MCF-7 cells via Alamar blue assay. It was found that both Au(III) and Ga(III) ions can interact with HSA, however; Au(III) ions interact with HSA more favorably and with a higher affinity. FT-IR second derivative analysis results demonstrated that, high concentrations of both metal ions led to a considerable decrease in the α-helix content of HSA; while Au(III) led to around 5% of decrease in the α-helix content at 200μM, it was around 1% for Ga(III) at the same concentration. Calorimetric analysis gave the binding kinetics of metal-HSA interactions; while the binding affinity (Ka) of Au(III)-HSA binding was around 3.87×10(5)M(-1), it was around 9.68×10(3)M(-1) for Ga(III)-HSA binding. Spectroscopy studies overall suggest that both metal ions have significant effects on the chemical structure of HSA, including the secondary structure alterations. Antitumor activity studies on MCF7 tumor cell line with both metal ions revealed that, Au(III) ions have a higher antiproliferative activity compared to Ga(III) ions. Copyright © 2014 Elsevier GmbH. All rights reserved.

  20. Structural Basis for Assembly of the MnIV/FeIII Cofactor in the Class Ic Ribonucleotide Reductase from Chlamydia trachomatis‡

    PubMed Central

    Dassama, Laura M.K.; Krebs, Carsten; Bollinger, J. Martin; Rosenzweig, Amy C.; Boal, Amie K.

    2013-01-01

    The class Ic ribonucleotide reductase (RNR) from Chlamydia trachomatis (Ct) employs a MnIV/FeIII cofactor in each monomer of its β2 subunit to initiate nucleotide reduction. The cofactor forms by reaction of MnII/FeII-β2 with O2. Previously, in vitro cofactor assembly from apo β2 and divalent metal ions produced a mixture of two forms, with Mn in site 1 (MnIV/FeIII) or site 2 (FeIII/MnIV), of which the more active MnIV/FeIII product predominates. Here we have addressed the basis for metal site-selectivity by solving X-ray crystal structures of apo, MnII, and MnII/FeII complexes of Ct β2. A structure obtained anaerobically with equimolar MnII, FeII, and apo protein reveals exclusive incorporation of MnII in site 1 and FeII in site 2, in contrast to the more modest site-selectivity achieved previously. Site-specificity is controlled thermodynamically by the apo protein structure, as only minor adjustments of ligands occur upon metal binding. Additional structures imply that, by itself, MnII binds in either site. Together the structures are consistent with a model for in vitro cofactor assembly in which FeII specificity for site 2 drives assembly of the appropriately configured heterobimetallic center, provided that FeII is substoichiometric. This model suggests that use of an MnIV/FeIII cofactor in vivo could be an adaptation to FeII limitation. A 1.8 Å resolution model of the MnII/FeII-β2 complex reveals additional structural determinants for activation of the cofactor, including a proposed site for side-on (η2) addition of O2 to FeII and a short (3.2 Å) MnII-FeII interionic distance, promoting formation of the MnIV/FeIV activation intermediate. PMID:23924396

  1. Molecular and electronic structure of octahedral o-aminophenolato and o-iminobenzosemiquinonato complexes of V(V), Cr(III), Fe(III), and Co(III). Experimental determination of oxidation levels of ligands and metal ions.

    PubMed

    Chun, H; Verani, C N; Chaudhuri, P; Bothe, E; Bill, E; Weyhermüller, T; Wieghardt, K

    2001-08-13

    The coordination chemistry of the ligands 2-anilino-4,6-di-tert-butylphenol, H[L(AP)], and N,N"'-bis[2-(4,6-di-tert-butylphenol]diethylenetriamine, H(2)[(L(AP))N(L(AP))], has been studied with the first-row transition metal ions V, Cr, Fe, and Co. The ligands are noninnocent in the sense that the aminophenolato parts, [L(AP)](-) and [L(AP)-H](2)(-), can be readily oxidized to their o-iminobenzosemiquinonato, [L(ISQ)](-), and o-iminobenzoquinone, [L(ISB)], forms. The following neutral octahedral complexes have been isolated as crystalline materials, and their crystal structures have been determined by X-ray crystallography at 100 K: [Cr(III)(L(ISQ))(3)] (1), [Fe(III)(L(ISQ))(3)] (2), [Co(III)(L(ISQ))(3)] (3), [V(V)(L(ISQ))(L(AP)-H)(2)] (4), [V(V)(L(AP)-H)(2)(L(AP))] (5), and [V(V)O[(L(AP))N(L(AP)-H)

  2. Note: Comparison of grazing incidence small angle x-ray scattering of a titania sponge structure at the beamlines BW4 (DORIS III) and P03 (PETRA III)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Rawolle, M.; Koerstgens, V.; Ruderer, M. A.

    2012-10-15

    Grazing incidence small angle x-ray scattering (GISAXS) is a powerful technique for morphology investigation of nanostructured thin films. GISAXS measurements at the newly installed P03 beamline at the storage ring PETRA III in Hamburg, Germany, are compared to the GISAXS data from the beamline BW4 at the storage ring DORIS III, which had been used extensively for GISAXS investigations in the past. As an example, a titania thin film sponge structure is investigated. Compared to BW4, at beamline P03 the resolution of larger structures is slightly improved and a higher incident flux leads to a factor of 750 in scatteredmore » intensity. Therefore, the acquisition time in GISAXS geometry is reduced significantly at beamline P03.« less

  3. 14 CFR 23.865 - Fire protection of flight controls, engine mounts, and other flight structure.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... controls, engine mounts, and other flight structure. Flight controls, engine mounts, and other flight... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Fire protection of flight controls, engine mounts, and other flight structure. 23.865 Section 23.865 Aeronautics and Space FEDERAL AVIATION...

  4. 14 CFR 23.865 - Fire protection of flight controls, engine mounts, and other flight structure.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... controls, engine mounts, and other flight structure. Flight controls, engine mounts, and other flight... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Fire protection of flight controls, engine mounts, and other flight structure. 23.865 Section 23.865 Aeronautics and Space FEDERAL AVIATION...

  5. 14 CFR 23.865 - Fire protection of flight controls, engine mounts, and other flight structure.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... controls, engine mounts, and other flight structure. Flight controls, engine mounts, and other flight... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Fire protection of flight controls, engine mounts, and other flight structure. 23.865 Section 23.865 Aeronautics and Space FEDERAL AVIATION...

  6. 14 CFR 23.865 - Fire protection of flight controls, engine mounts, and other flight structure.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... controls, engine mounts, and other flight structure. Flight controls, engine mounts, and other flight... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Fire protection of flight controls, engine mounts, and other flight structure. 23.865 Section 23.865 Aeronautics and Space FEDERAL AVIATION...

  7. 14 CFR 23.865 - Fire protection of flight controls, engine mounts, and other flight structure.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... controls, engine mounts, and other flight structure. Flight controls, engine mounts, and other flight... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Fire protection of flight controls, engine mounts, and other flight structure. 23.865 Section 23.865 Aeronautics and Space FEDERAL AVIATION...

  8. Structure, function, and engineering of enzymes in isoflavonoid biosynthesis.

    PubMed

    Wang, Xiaoqiang

    2011-03-01

    Isoflavonoids are a large group of plant natural products and play important roles in plant defense. They also possess valuable health-promoting activities with significant health benefits for animals and humans. The isoflavonoids are identified primarily in leguminous plants and are synthesized through the central phenylpropanoid pathway and the specific isoflavonoid branch pathways in legumes. Structural studies of some key enzymes in the central phenylpropanoid pathway shed light on the early stages of the (iso)flavonoid biosynthetic process. Significant impact has also been made on structural studies of enzymes in the isoflavonoid branch pathways. Structures of isoflavonoid-specific NADPH-dependent reductases revealed how the (iso)flavonoid backbones are modified by reduction reactions and how enzymes specifically recognize isoflavonoids and catalyze stereo-specific reductions. Structural studies of isoflavonoid methyltransferases and glycosyltransferases revealed how isoflavonoids are further decorated with methyl group and sugars in different methylation and glycosylation patterns that determine their bioactivities and functions. In combination with mutagenesis and biochemical studies, the detailed structural information of these enzymes provides a basis for understanding the complex biosynthetic process, enzyme catalytic mechanisms, and substrate specificities. Structure-based homology modeling facilitates the functional characterization of these large groups of biosynthetic enzymes and their homologs. Structure-based enzyme engineering is becoming a new strategy for synthesis of bioactive isoflavonoids and also facilitates plant metabolic engineering towards improvement of quality and production of crop plants.

  9. Turbojet-engine Starting and Acceleration

    NASA Technical Reports Server (NTRS)

    Mc Cafferty, R. J.; Straight, D. M.

    1956-01-01

    From considerations of safety and reliability in performance of gas-turbine aircraft, it is clear that engine starting and acceleration are of utmost importance. For this reason extensive efforts have been devoted to the investigation of the factors involved in the starting and acceleration of engines. In chapter III it is shown that certain basic combustion requirements must be met before ignition can occur; consequently, the design and operation of an engine must be tailored to provide these basic requirements in the combustion zone of the engine, particularly in the vicinity of the ignition source. It is pointed out in chapter III that ignition by electrical discharges is aided by high pressure, high temperature, low gas velocity and turbulence, gaseous fuel-air mixture, proper mixture strength, and-an optimum spark. duration. The simultaneous achievement of all these requirements in an actual turbojet-engine combustor is obviously impossible, yet any attempt to satisfy as many requirements as possible will result in lower ignition energies, lower-weight ignition systems, and greater reliability. These factors together with size and cost considerations determine the acceptability of the final ignition system. It is further shown in chapter III that the problem of wall quenching affects engine starting. For example, the dimensions of the volume to be burned must be larger than the quenching distance at the lowest pressure and the most adverse fuel-air ratio encountered. This fact affects the design of cross-fire tubes between adjacent combustion chambers in a tubular-combustor turbojet engine. Only two chambers in these engines contain spark plugs; therefore, the flame must propagate through small connecting tubes between the chambers. The quenching studies indicate that if the cross-fire tubes are too narrow the flame will not propagate from one chamber to another. In order to better understand the role of the basic factors in actual engine operation, many

  10. 14 CFR 25.865 - Fire protection of flight controls, engine mounts, and other flight structure.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... Design and Construction Fire Protection § 25.865 Fire protection of flight controls, engine mounts, and other flight structure. Essential flight controls, engine mounts, and other flight structures located in... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Fire protection of flight controls, engine...

  11. 14 CFR 25.865 - Fire protection of flight controls, engine mounts, and other flight structure.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... Design and Construction Fire Protection § 25.865 Fire protection of flight controls, engine mounts, and other flight structure. Essential flight controls, engine mounts, and other flight structures located in... 14 Aeronautics and Space 1 2012-01-01 2012-01-01 false Fire protection of flight controls, engine...

  12. 14 CFR 25.865 - Fire protection of flight controls, engine mounts, and other flight structure.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... Design and Construction Fire Protection § 25.865 Fire protection of flight controls, engine mounts, and other flight structure. Essential flight controls, engine mounts, and other flight structures located in... 14 Aeronautics and Space 1 2010-01-01 2010-01-01 false Fire protection of flight controls, engine...

  13. 14 CFR 25.865 - Fire protection of flight controls, engine mounts, and other flight structure.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... Design and Construction Fire Protection § 25.865 Fire protection of flight controls, engine mounts, and other flight structure. Essential flight controls, engine mounts, and other flight structures located in... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Fire protection of flight controls, engine...

  14. 14 CFR 25.865 - Fire protection of flight controls, engine mounts, and other flight structure.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... Design and Construction Fire Protection § 25.865 Fire protection of flight controls, engine mounts, and other flight structure. Essential flight controls, engine mounts, and other flight structures located in... 14 Aeronautics and Space 1 2013-01-01 2013-01-01 false Fire protection of flight controls, engine...

  15. Crystal Structure and Regulation of the Citrus Pol III Repressor MAF1 by Auxin and Phosphorylation.

    PubMed

    Soprano, Adriana Santos; Giuseppe, Priscila Oliveira de; Shimo, Hugo Massayoshi; Lima, Tatiani Brenelli; Batista, Fernanda Aparecida Heleno; Righetto, Germanna Lima; Pereira, José Geraldo de Carvalho; Granato, Daniela Campos; Nascimento, Andrey Fabricio Ziem; Gozzo, Fabio Cesar; de Oliveira, Paulo Sérgio Lopes; Figueira, Ana Carolina Migliorini; Smetana, Juliana Helena Costa; Paes Leme, Adriana Franco; Murakami, Mario Tyago; Benedetti, Celso Eduardo

    2017-09-05

    MAF1 is the main RNA polymerase (Pol) III repressor that controls cell growth in eukaryotes. The Citrus ortholog, CsMAF1, was shown to restrict cell growth in citrus canker disease but its role in plant development and disease is still unclear. We solved the crystal structure of the globular core of CsMAF1, which reveals additional structural elements compared with the previously available structure of hMAF1, and explored the dynamics of its flexible regions not present in the structure. CsMAF1 accumulated in the nucleolus upon leaf excision, and this translocation was inhibited by auxin and by mutation of the PKA phosphorylation site, S45, to aspartate. Additionally, mTOR phosphorylated recombinant CsMAF1 and the mTOR inhibitor AZD8055 blocked canker formation in normal but not CsMAF1-silenced plants. These results indicate that the role of TOR on cell growth induced by Xanthomonas citri depends on CsMAF1 and that auxin controls CsMAF1 interaction with Pol III in citrus. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Structural tailoring of engine blades (STAEBL) user's manual

    NASA Technical Reports Server (NTRS)

    Brown, K. W.

    1985-01-01

    This User's Manual contains instructions and demonstration case to prepare input data, run, and modify the Structural Tailoring of Engine Blades (STAEBL) computer code. STAEBL was developed to perform engine fan and compressor blade numerical optimizations. This blade optimization seeks a minimum weight or cost design that satisfies realistic blade design constraints, by tuning one to twenty design variables. The STAEBL constraint analyses include blade stresses, vibratory response, flutter, and foreign object damage. Blade design variables include airfoil thickness at several locations, blade chord, and construction variables: hole size for hollow blades, and composite material layup for composite blades.

  17. Sparkle/AM1 Parameters for the Modeling of Samarium(III) and Promethium(III) Complexes.

    PubMed

    Freire, Ricardo O; da Costa, Nivan B; Rocha, Gerd B; Simas, Alfredo M

    2006-01-01

    The Sparkle/AM1 model is extended to samarium(III) and promethium(III) complexes. A set of 15 structures of high crystallographic quality (R factor < 0.05 Å), with ligands chosen to be representative of all samarium complexes in the Cambridge Crystallographic Database 2004, CSD, with nitrogen or oxygen directly bonded to the samarium ion, was used as a training set. In the validation procedure, we used a set of 42 other complexes, also of high crystallographic quality. The results show that this parametrization for the Sm(III) ion is similar in accuracy to the previous parametrizations for Eu(III), Gd(III), and Tb(III). On the other hand, promethium is an artificial radioactive element with no stable isotope. So far, there are no promethium complex crystallographic structures in CSD. To circumvent this, we confirmed our previous result that RHF/STO-3G/ECP, with the MWB effective core potential (ECP), appears to be the most efficient ab initio model chemistry in terms of coordination polyhedron crystallographic geometry predictions from isolated lanthanide complex ion calculations. We thus generated a set of 15 RHF/STO-3G/ECP promethium complex structures with ligands chosen to be representative of complexes available in the CSD for all other trivalent lanthanide cations, with nitrogen or oxygen directly bonded to the lanthanide ion. For the 42 samarium(III) complexes and 15 promethium(III) complexes considered, the Sparkle/AM1 unsigned mean error, for all interatomic distances between the Ln(III) ion and the ligand atoms of the first sphere of coordination, is 0.07 and 0.06 Å, respectively, a level of accuracy comparable to present day ab initio/ECP geometries, while being hundreds of times faster.

  18. Two- and three-dimensional networks of gadolinium(III) with dicarboxylate ligands: synthesis, crystal structure, and magnetic properties.

    PubMed

    Cañadillas-Delgado, Laura; Pasan, Jorge; Fabelo, Oscar; Hernandez-Molina, María; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina

    2006-12-25

    Four gadolinium(III) complexes with dicarboxylate ligands of formulas [Gd2(mal)3(H2O)5]n.2nH2O (1), [Gd2(mal)3(H2O)6]n (2), [NaGd(mal)(ox)(H2O)3]n (3), and [Gd2(ox)3(H2O)6]n.2.5nH2O (4) (mal = malonate; ox = oxalate) have been prepared, and their magnetic properties have been investigated as a function of the temperature. The structures of 1-3 have been determined by X-ray diffraction methods. The crystal structure of 4 was already known, and it is made of hexagonal layers of Gd atoms that are bridged by bis-bidentate oxalate. Compound 1 is isostructural with the europium(III) malonate complex [Eu2(mal)3(H2O)5]n.2nH2O,1 whose structure was reported elsewhere. The Gd atoms in 1 define a two-dimensional network where a terminal bidentate and bridging bidentate/bis-monodentate and tris-bidentate coordination modes of malonate occur. Compound 2 has a three-dimensional structure with a structural phase transition at 226 K, which involves a change of the space group from I2/a to Ia. Although its structure at room temperature was already known, that below 226 K was not. Pairs of Gd atoms with a double oxo-carboxylate bridge occur in both phases, and the main differences between both structures deal with the Gd environment and the H-bond pattern. 3 is also a three-dimensional compound, and it was obtained by reacting Gd(III) ions with malonic acid in a silica gel medium. Oxalic acid results as an oxidized product of the malonic acid, and single crystals of the heteroleptic complex were produced. The Gd atoms in 3 are connected through bis-bidentate oxalate and carboxylate-malonate bridges in the anti-anti and anti-syn coordination modes. Compounds 1 and 2 exhibit weak but significant ferromagnetic couplings between the Gd(III) ions through the single (1) and double (2) oxo-carboxylate bridges, whereas antiferromagnetic interactions across the bis-bidentate oxalate account for the overall antiferromagnetic behavior observed in 3 and 4.

  19. Synthesis, structural characterization and photoluminescence properties of a novel La(III) complex

    NASA Astrophysics Data System (ADS)

    Köse, Muhammet; Ceyhan, Gökhan; Atcı, Emine; McKee, Vickie; Tümer, Mehmet

    2015-05-01

    In this study, a novel La(III) complex [La(H2L)2(NO3)3(MeOH)] of a Schiff base ligand was synthesized and characterized by spectroscopic and analytical methods. Single crystals of the complex suitable for X-ray diffraction study were obtained by slow diffusion of diethyl ether into a MeOH solution of the complex which was found to crystallise as [La(H2L)2(NO3)3(MeOH)]ṡ2MeOHṡH2O. The structure was solved in monoclinic crystal system, P21/n space group with unit cell parameters a = 10.5641(11), b = 12.6661(16), c = 16.0022(17) Å, α = 67.364(2), β = 83.794(2)°, γ = 70.541(2)°, V = 1862.9(4) Å3 and Z = 2 with R final value of 0.526. In the complex, the La(III) ion is ten-coordinated by O atoms, five of which come from three nitrate ions, four from the two Schiff base ligands and one from MeOH oxygen atom. The Schiff base ligands in the structure are in a zwitter ion form with the phenolic H transferred to the imine N atom. Thermal properties of the La(III) complex were examined by thermogravimetric analysis and the complex was found to be thermally stable up to 310 °C. The Schiff base ligand and its La(II) complex were screened for their in vitro antimicrobial activity against Bacillus megaterium, Staphylococcus aureus, Bacillus subtilis, Micrococcus luteus (Gram positive bacteria), Klebsiella pneumonia, Escherichia coli, Enterobacter aerogenes, Pseudomonas aeruginosa (Gram negative bacteria), Candida albicans,Yarrowia lipolytica (fungus) and Saccharomyces cerevisiae (yeast). The complex shows more antimicrobial activity than the free ligand.

  20. SPORT-SPEAR Mark III Electronics (Engineering Materials)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Not Available

    The Drawing List DL 135-678-00-RO and the drawings listed thereon provide the specifications for construction of the SPORT-SPEAR Mark III Electronics. SPORT stands for Smark Port. This device is an adapter for the SLAC BADC (Brilliant Analog to Digital Converter) providing up to 5 ports whereas the BADC and SPORT takes signals from experimental equipment and directs them to other equipment and micro computers for processing and storing. These units are housed in standard Camac crates.

  1. III-Nitride Digital Alloy: Electronics and Optoelectronics Properties of the InN/GaN Ultra-Short Period Superlattice Nanostructures.

    PubMed

    Sun, Wei; Tan, Chee-Keong; Tansu, Nelson

    2017-07-27

    The III-Nitride digital alloy (DA) is comprehensively studied as a short-period superlattice nanostructure consisting of ultra-thin III-Nitride epitaxial layers. By stacking the ultra-thin III-Nitride epitaxial layers periodically, these nanostructures are expected to have comparable optoelectronic properties as the conventional III-Nitride alloys. Here we carried out numerical studies on the InGaN DA showing the tunable optoelectronic properties of the III-Nitride DA. Our study shows that the energy gap of the InGaN DA can be tuned from ~0.63 eV up to ~2.4 eV, where the thicknesses and the thickness ratio of each GaN and InN ultra-thin binary layers within the DA structure are the key factors for tuning bandgap. Correspondingly, the absorption spectra of the InGaN DA yield broad wavelength tunability which is comparable to that of bulk InGaN ternary alloy. In addition, our investigation also reveals that the electron-hole wavefunction overlaps are remarkably large in the InGaN DA structure despite the existence of strain effect and build-in polarization field. Our findings point out the potential of III-Nitride DA as an artificially engineered nanostructure for optoelectronic device applications.

  2. Engineering Strain for Improved III-Nitride Optoelectronic Device Performance

    NASA Astrophysics Data System (ADS)

    Van Den Broeck, Dennis Marnix

    Due to growing environmental and economic concerns, renewable energy generation and high-efficiency lighting are becoming even more important in the scientific community. III-Nitride devices have been essential in production of high-brightness light-emitting diodes (LEDs) and are now entering the photovoltaic (PV) realm as the technology advances. InGaN/GaN multiple quantum well LEDs emitting in the blue/green region have emerged as promising candidates for next-generation lighting technologies. Due to the large lattice mismatch between InN and GaN, large electric fields exist within the quantum well layers and result in low rates of radiative recombination, especially for the green spectral region. This is commonly referred to as the "green gap" and results in poor external quantum efficiencies for light-emitting diodes and laser diodes. In order to mitigate the compressive stress of InGaN QWs, a novel growth technique is developed in order to grown thick, strain-relaxed In yGa1-yN templates for 0.08 < y < 0.11. By inserting 2 nm GaN interlayers into the growing InyGa1-yN film, and subsequently annealing the structure, "semibulk" InGaN templates were achieved with vastly superior crystal and optical properties than bulk InGaN films. These semibulk InGaN templates were then utilized as new templates for multiple quantum well active layers, effectively reducing the compressive strain in the InGaN wells due to the larger lattice constant of the InGaN template with respect to a GaN template. A zero-stress balance method was used in order to realize a strain-balanced multiple quantum well structure, which again showed improved optical characteristics when compared to fully-strain active regions. The semibulk InGaN template was then implemented into "strain-compensated" LED structures, where light emission was achieved with very little leakage current. Discussion of these strain-compensated devices compared to conventional LEDs is detailed.

  3. Structural characterization of a family of cytochromes c{sub 7} involved in Fe(III) respiration by Geobacter sulfurreducens.

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pokkuluri, P. R.; Londer, Y. Y.; Yang, X.

    2010-02-01

    Periplasmic cytochromes c{sub 7} are important in electron transfer pathway(s) in Fe(III) respiration by Geobacter sulfurreducens. The genome of G. sulfurreducens encodes a family of five 10-kDa, three-heme cytochromes c{sub 7}. The sequence identity between the five proteins (designated PpcA, PpcB, PpcC, PpcD, and PpcE) varies between 45% and 77%. Here, we report the high-resolution structures of PpcC, PpcD, and PpcE determined by X-ray diffraction. This new information made it possible to compare the sequences and structures of the entire family. The triheme cores are largely conserved but are not identical. We observed changes, due to different crystal packing, inmore » the relative positions of the hemes between two molecules in the crystal. The overall protein fold of the cytochromes is similar. The structure of PpcD differs most from that of the other homologs, which is not obvious from the sequence comparisons of the family. Interestingly, PpcD is the only cytochrome c{sub 7} within the family that has higher abundance when G. sulfurreducens is grown on insoluble Fe(III) oxide compared to ferric citrate. The structures have the highest degree of conservation around 'heme IV'; the protein surface around this heme is positively charged in all of the proteins, and therefore all cytochromes c{sub 7} could interact with similar molecules involving this region. The structures and surface characteristics of the proteins near the other two hemes, 'heme I' and 'heme III', differ within the family. The above observations suggest that each of the five cytochromes c{sub 7} could interact with its own redox partner via an interface involving the regions of heme I and/or heme III; this provides a possible rationalization for the existence of five similar proteins in G. sulfurreducens.« less

  4. The effect of chromic sulfate concentration and immersion time on the structures and anticorrosive performance of the Cr(III) conversion coatings on aluminum alloys

    NASA Astrophysics Data System (ADS)

    Chen, Wei-Kun; Bai, Ching-Yuan; Liu, Chung-Ming; Lin, Chao-Sung; Ger, Ming-Der

    2010-06-01

    The main purpose of this study is to develop trivalent chromium, Cr(III), conversion coatings on aluminum alloys. The influence of Cr(III) concentration and immersion time on structures and anticorrosive performance of the coatings has been investigated. Corrosion behaviors of the coatings were evaluated in a 0.5 M H 2SO 4 aqueous solution at room temperature using potentiodynamic polarization. The structure and valence state of the coatings were examined by scanning electron microscopy (SEM), transmission electron microscopy (TEM), and X-ray photoelectron spectroscopy (XPS). The addition of Cr(III) ions to the conversion bath considerably changes structures and compositions of the coatings. The coatings with Cr oxides possess a denser and thinner structure. Moreover, the corrosion resistance of Cr(III) coatings tends to decline with increasing immersion time due to the dissolution of coatings in the dipping period. According to XPS analysis, the Cr(III) conversion coatings are composed of Cr 2O 3, Cr(OH) 3, Al 2O 3, Al(OH) 3, ZrO 2, Zr(OH) 4, AlF 3, and ZrF 4, but no hexavalent chromium component in the coatings. The result indicates that the coatings prepared in the solution with 0.01 M Cr(III) for 5 min have the smoothest and densest structure and the best anticorrosive performance among all of conversion coatings in this work.

  5. Structural integrity of engineering composite materials: a cracking good yarn.

    PubMed

    Beaumont, Peter W R; Soutis, Costas

    2016-07-13

    Predicting precisely where a crack will develop in a material under stress and exactly when in time catastrophic fracture of the component will occur is one the oldest unsolved mysteries in the design and building of large-scale engineering structures. Where human life depends upon engineering ingenuity, the burden of testing to prove a 'fracture safe design' is immense. Fitness considerations for long-life implementation of large composite structures include understanding phenomena such as impact, fatigue, creep and stress corrosion cracking that affect reliability, life expectancy and durability of structure. Structural integrity analysis treats the design, the materials used, and figures out how best components and parts can be joined, and takes service duty into account. However, there are conflicting aims in the complete design process of designing simultaneously for high efficiency and safety assurance throughout an economically viable lifetime with an acceptable level of risk. This article is part of the themed issue 'Multiscale modelling of the structural integrity of composite materials'. © 2016 The Author(s).

  6. Synthesis and in vitro microbial evaluation of La(III), Ce(III), Sm(III) and Y(III) metal complexes of vitamin B6 drug

    NASA Astrophysics Data System (ADS)

    Refat, Moamen S.; Al-Azab, Fathi M.; Al-Maydama, Hussein M. A.; Amin, Ragab R.; Jamil, Yasmin M. S.

    2014-06-01

    Metal complexes of pyridoxine mono hydrochloride (vitamin B6) are prepared using La(III), Ce(III), Sm(III) and Y(III). The resulting complexes are investigated. Some physical properties, conductivity, analytical data and the composition of the four pyridoxine complexes are discussed. The elemental analysis shows that the formed complexes of La(III), Ce(III), Sm(III) and Y(III) with pyridoxine are of 1:2 (metal:PN) molar ratio. All the synthesized complexes are brown in color and possess high melting points. These complexes are partially soluble in hot methanol, dimethylsulfoxide and dimethylformamide and insoluble in water and some other organic solvents. Elemental analysis data, spectroscopic (IR, UV-vis. and florescence), effective magnetic moment in Bohr magnetons and the proton NMR suggest the structures. However, definite particle size is determined by invoking the X-ray powder diffraction and scanning electron microscopy data. The results obtained suggested that pyridoxine reacted with metal ions as a bidentate ligand through its phenolate oxygen and the oxygen of the adjacent group at the 4‧-position. The molar conductance measurements proved that the pyridoxine complexes are electrolytic in nature. The kinetic and thermodynamic parameters such as: Ea, ΔH*, ΔS* and ΔG* were estimated from the DTG curves. The antibacterial evaluation of the pyridoxine and their complexes were also performed against some gram positive, negative bacteria as well as fungi.

  7. Band structure engineering strategies of metal oxide semiconductor nanowires and related nanostructures: A review

    NASA Astrophysics Data System (ADS)

    Piyadasa, Adimali; Wang, Sibo; Gao, Pu-Xian

    2017-07-01

    The electronic band structure of a solid state semiconductor determines many of its physical and chemical characteristics such as electrical, optical, physicochemical, and catalytic activity. Alteration or modification of the band structure could lead to significant changes in these physical and chemical characteristics, therefore we introduce new mechanisms of creating novel solid state materials with interesting properties. Over the past three decades, research on band structure engineering has allowed development of various methods to modify the band structure of engineered materials. Compared to bulk counterparts, nanostructures generally exhibit higher band structure modulation capabilities due to the quantum confinement effect, prominent surface effect, and higher strain limit. In this review we will discuss various band structure engineering strategies in semiconductor nanowires and other related nanostructures, mostly focusing on metal oxide systems. Several important strategies of band structure modulation are discussed in detail, such as doping, alloying, straining, interface and core-shell nanostructuring.

  8. Simulation of Aircraft Engine Blade-Out Structural Dynamics. Revised

    NASA Technical Reports Server (NTRS)

    Lawrence, Charles; Carney, Kelly; Gallardo, Vicente

    2001-01-01

    A primary concern of aircraft structure designers is the accurate simulation of the blade-out event and the subsequent windmilling of the engine. Reliable simulations of the blade-out event are required to insure structural integrity during flight as well as to guarantee successful blade-out certification testing. The system simulation includes the lost blade loadings and the interactions between the rotating turbomachinery and the remaining aircraft structural components. General-purpose finite element structural analysis codes such as MSC NASTRAN are typically used and special provisions are made to include transient effects from the blade loss and rotational effects resulting from the engine's turbomachinery. The present study provides the equations of motion for rotordynamic response including the effect of spooldown speed and rotor unbalance and examines the effects of these terms on a cantilevered rotor. The effect of spooldown speed is found to be greater with increasing spooldown rate. The parametric term resulting from the mass unbalance has a more significant effect on the rotordynamic response than does the spooldown term. The parametric term affects both the peak amplitudes as well as the resonant frequencies of the rotor.

  9. Structural Health Monitoring on Turbine Engines Using Microwave Blade Tip Clearance Sensors

    NASA Technical Reports Server (NTRS)

    Woike, Mark; Abdul-Aziz, Ali; Clem, Michelle

    2014-01-01

    The ability to monitor the structural health of the rotating components, especially in the hot sections of turbine engines, is of major interest to aero community in improving engine safety and reliability. The use of instrumentation for these applications remains very challenging. It requires sensors and techniques that are highly accurate, are able to operate in a high temperature environment, and can detect minute changes and hidden flaws before catastrophic events occur. The National Aeronautics and Space Administration (NASA) has taken a lead role in the investigation of new sensor technologies and techniques for the in situ structural health monitoring of gas turbine engines. As part of this effort, microwave sensor technology has been investigated as a means of making high temperature non-contact blade tip clearance, blade tip timing, and blade vibration measurements for use in gas turbine engines. This paper presents a summary of key results and findings obtained from the evaluation of two different types of microwave sensors that have been investigated for use possible in structural health monitoring applications. The first is a microwave blade tip clearance sensor that has been evaluated on a large scale Axial Vane Fan, a subscale Turbofan, and more recently on sub-scale turbine engine like disks. The second is a novel microwave based blade vibration sensor that was also used in parallel with the microwave blade tip clearance sensors on the experiments with the sub-scale turbine engine disks.

  10. Structural health monitoring on turbine engines using microwave blade tip clearance sensors

    NASA Astrophysics Data System (ADS)

    Woike, Mark; Abdul-Aziz, Ali; Clem, Michelle

    2014-04-01

    The ability to monitor the structural health of the rotating components, especially in the hot sections of turbine engines, is of major interest to the aero community in improving engine safety and reliability. The use of instrumentation for these applications remains very challenging. It requires sensors and techniques that are highly accurate, are able to operate in a high temperature environment, and can detect minute changes and hidden flaws before catastrophic events occur. The National Aeronautics and Space Administration (NASA) has taken a lead role in the investigation of new sensor technologies and techniques for the in situ structural health monitoring of gas turbine engines. As part of this effort, microwave sensor technology has been investigated as a means of making high temperature non-contact blade tip clearance, blade tip timing, and blade vibration measurements for use in gas turbine engines. This paper presents a summary of key results and findings obtained from the evaluation of two different types of microwave sensors that have been investigated for possible use in structural health monitoring applications. The first is a microwave blade tip clearance sensor that has been evaluated on a large scale Axial Vane Fan, a subscale Turbofan, and more recently on sub-scale turbine engine like disks. The second is a novel microwave based blade vibration sensor that was also used in parallel with the microwave blade tip clearance sensors on the same experiments with the sub-scale turbine engine disks.

  11. Structural and phase transformation of A{sup III}B{sup V}(100) semiconductor surface in interaction with selenium

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Bezryadin, N. N.; Kotov, G. I., E-mail: giktv@mail.ru; Kuzubov, S. V., E-mail: kuzub@land.ru

    2015-03-15

    Surfaces of GaAs(100), InAs(100), and GaP(100) substrates thermally treated in selenium vapor have been investigated by transmission electron microscopy and electron probe X-ray microanalysis. Some specific features and regularities of the formation of A{sub 3}{sup III}B{sub 4}{sup VI} (100)c(2 × 2) surface phases and thin layers of gallium or indium selenides A{sub 2}{sup III}B{sub 3}{sup VI} (100) on surfaces of different A{sup III}B{sup V}(100) semiconductors are discussed within the vacancy model of surface atomic structure.

  12. Syntheses, structures and properties of three new two-dimensional Cu(I)-Ln(III) heterometallic coordination polymers based on 2,2'-dipyridyl-5,5'-dicarboxylate ligands.

    PubMed

    Zhao, Junwei; Cheng, Yamin; Shang, Sensen; Zhang, Fang; Chen, Li; Chen, Lijuan

    2013-12-01

    Three new two-dimensional Cu(I)-Ln(III) heterometallic coordination polymers [Ln(III)Cu2(I)(Hbpdc)4] · Cl · xH2O [Ln(III) = La(III), x = 8 (1); Ln(III) = Pr(III), x=9 (2); Ln(III) = Eu(III), x = 8 (3)] (H2bpdc = 2,2'-bipyridyl-5,5'-dicarboxylic acid) have been prepared under hydrothermal conditions and structurally characterized by elemental analyses, inductively coupled plasma atomic emission spectrometry (ICP-AES) analyses, IR spectra, X-ray photoelectron spectroscopy (XPS) and single-crystal X-ray diffraction. X-ray diffraction indicates that the isomorphic 1-3 display the two-dimensional sheet structure constructed from [Cu(I)(Hbpdc)2](-) fragments through Ln(3+) connectors. Moreover, the solid-state photoluminescence measurements of 3 indicate that the Eu(III) ions, Hbpdc(-) ligands and Cu(I) cations make contributions to its luminescent properties simultaneously. Copyright © 2013 Elsevier B.V. All rights reserved.

  13. Reliability of DSM-III diagnoses for major depression and generalized anxiety disorder using the structured clinical interview for DSM-III.

    PubMed

    Riskind, J H; Beck, A T; Berchick, R J; Brown, G; Steer, R A

    1987-09-01

    This study examined the interrater reliability of generalized anxiety disorder (GAD) and major depressive disorder (MDD) diagnoses derived from the Structured Clinical Interview for DSM-III (SCID). Using videotaped interviews, paired raters made independent diagnoses of 75 psychiatric outpatients. The percent agreement of the raters was 82% for MDD and 86% for GAD; the respective kappa values were .72 and .79. The results indicated that the SCID can be employed reliably to differentiate MDD from GAD. The SCID is recommended for further research with these disorders.

  14. Controllable synthesis, crystal structure and magnetic properties of Monomer-Dimer Cocrystallized MnIII Salen-type composite material

    NASA Astrophysics Data System (ADS)

    Wu, Qiong; Wu, Wei; Wu, Yongmei; Li, Weili; Qiao, Yongfeng; Wang, Ying; Wang, Baoling

    2018-04-01

    By the reaction of manganese-Schiff-base complexes with penta-anionic Anderson heteropolyanion, a new supramolecular architecture [Mn2(Salen)2(H2O)2][Mn(Salen)(H2O)2]2Na[IMo6O24]·8H2O (1) (salen = N,N‧-ethylene-bis (salicylideneiminate) has been isolated. Compound 1 was characterized by the single-crystal X-ray diffraction, elemental, IR and thermal gravimetric analyses. Structural analysis reveals that the unit cell simultaneously contains MnIII-Salen dimer and monomer cation fragments, for which the Anderson-type polyanions serve as counter anions. In the packing arrangement, all the MnIII dimers are well separated by polyoxometalate units and form tertiary structure together with MnIII monomers. Interestingly, different from the previous work, in the exact same reaction conditions, we are able to template MnIII-Salen complexes into different configurations by varying the charge state of polyanions. Besides, the magnetic properties of 1 were also examined by using both dc and ac magnetic field of the superconducting quantum interference devices. Most importantly, our fitting of the experimental data to a Heisenberg-type spin model shows that there exists a ferromagnetic exchange interaction ∼5 K between the spins (S = 2) on MnIII in the dimer, while antiferromagnetic ones exist among monomers and dimer (∼2 K). This meta-magnetic state could induce a slight spin frustration at low temperature, which would in turn affect the magnetic behavior. In addition, our ac field measurement of the susceptibilities suggests a typical signature for a single-molecule magnet.

  15. Characterization of ribonuclease III from Brucella.

    PubMed

    Wu, Chang-Xian; Xu, Xian-Jin; Zheng, Ke; Liu, Fang; Yang, Xu-Dong; Chen, Chuang-Fu; Chen, Huan-Chun; Liu, Zheng-Fei

    2016-04-01

    Bacterial ribonuclease III (RNase III) is a highly conserved endonuclease, which plays pivotal roles in RNA maturation and decay pathways by cleaving double-stranded structure of RNAs. Here we cloned rncS gene from the genomic DNA of Brucella melitensis, and analyzed the cleavage properties of RNase III from Brucella. We identified Brucella-encoding small RNA (sRNA) by high-throughput sequencing and northern blot, and found that sRNA of Brucella and Homo miRNA precursor (pre-miRNA) can be bound and cleaved by B.melitensis ribonuclease III (Bm-RNase III). Cleavage activity of Bm-RNase III is bivalent metal cations- and alkaline buffer-dependent. We constructed several point mutations in Bm-RNase III, whose cleavage activity indicated that the 133th Glutamic acid residue was required for catalytic activity. Western blot revealed that Bm-RNase III was differently expressed in Brucella virulence strain 027 and vaccine strain M5-90. Collectively, our data suggest that Brucella RNase III can efficiently bind and cleave stem-loop structure of small RNA, and might participate in regulation of virulence in Brucella. Copyright © 2016 Elsevier B.V. All rights reserved.

  16. The Bacterial Flagellar Type III Export Gate Complex Is a Dual Fuel Engine That Can Use Both H+ and Na+ for Flagellar Protein Export

    PubMed Central

    Minamino, Tohru; Morimoto, Yusuke V.; Hara, Noritaka; Aldridge, Phillip D.; Namba, Keiichi

    2016-01-01

    The bacterial flagellar type III export apparatus utilizes ATP and proton motive force (PMF) to transport flagellar proteins to the distal end of the growing flagellar structure for self-assembly. The transmembrane export gate complex is a H+–protein antiporter, of which activity is greatly augmented by an associated cytoplasmic ATPase complex. Here, we report that the export gate complex can use sodium motive force (SMF) in addition to PMF across the cytoplasmic membrane to drive protein export. Protein export was considerably reduced in the absence of the ATPase complex and a pH gradient across the membrane, but Na+ increased it dramatically. Phenamil, a blocker of Na+ translocation, inhibited protein export. Overexpression of FlhA increased the intracellular Na+ concentration in the presence of 100 mM NaCl but not in its absence, suggesting that FlhA acts as a Na+ channel. In wild-type cells, however, neither Na+ nor phenamil affected protein export, indicating that the Na+ channel activity of FlhA is suppressed by the ATPase complex. We propose that the export gate by itself is a dual fuel engine that uses both PMF and SMF for protein export and that the ATPase complex switches this dual fuel engine into a PMF-driven export machinery to become much more robust against environmental changes in external pH and Na+ concentration. PMID:26943926

  17. The Bacterial Flagellar Type III Export Gate Complex Is a Dual Fuel Engine That Can Use Both H+ and Na+ for Flagellar Protein Export.

    PubMed

    Minamino, Tohru; Morimoto, Yusuke V; Hara, Noritaka; Aldridge, Phillip D; Namba, Keiichi

    2016-03-01

    The bacterial flagellar type III export apparatus utilizes ATP and proton motive force (PMF) to transport flagellar proteins to the distal end of the growing flagellar structure for self-assembly. The transmembrane export gate complex is a H+-protein antiporter, of which activity is greatly augmented by an associated cytoplasmic ATPase complex. Here, we report that the export gate complex can use sodium motive force (SMF) in addition to PMF across the cytoplasmic membrane to drive protein export. Protein export was considerably reduced in the absence of the ATPase complex and a pH gradient across the membrane, but Na+ increased it dramatically. Phenamil, a blocker of Na+ translocation, inhibited protein export. Overexpression of FlhA increased the intracellular Na+ concentration in the presence of 100 mM NaCl but not in its absence, suggesting that FlhA acts as a Na+ channel. In wild-type cells, however, neither Na+ nor phenamil affected protein export, indicating that the Na+ channel activity of FlhA is suppressed by the ATPase complex. We propose that the export gate by itself is a dual fuel engine that uses both PMF and SMF for protein export and that the ATPase complex switches this dual fuel engine into a PMF-driven export machinery to become much more robust against environmental changes in external pH and Na+ concentration.

  18. Group-III nitride VCSEL structures grown by molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Ng, HockMin; Moustakas, Theodore D.

    2000-07-01

    III-nitride VCSEL structures designed for electron-beam pumping have been grown by molecular beam epitaxy (MBE). The structures consist of a sapphire substrate on which an AlN/GaN distributed Bragg reflector (DBR) with peak reflectance >99% at 402 nm is deposited. The active region consists of a 2-(lambda) cavity with 25 In0.1Ga0.9N/GaN multiquantum wells (MQWs) whose emission coincides with the high reflectance region of the DBR. The thicknesses of the InGaN wells and the GaN barriers are 35 angstrom and 75 angstrom respectively. The top reflector consists of a silver metallic mirror which prevents charging effects during electron-beam pumping. The structure was pumped from the top- side with a cw electron-beam using a modified cathodoluminescence (CL) system mounted on a scanning electron microscope chamber. Light output was collected from the polished sapphire substrate side. Measurements performed at 100 K showed intense emission at 407 nm with narrowing of the linewidth with increasing beam current. A narrow emission linewidth of 0.7 nm was observed indicating the onset of stimulated emission.

  19. Tuning of chain chirality by interchain stacking forces and the structure-property relationship in coordination systems constructed by meridional FeIII cyanide and MnIII Schiff bases.

    PubMed

    Sohn, Ah Ram; Lim, Kwang Soo; Kang, Dong Won; Song, Jeong Hwa; Koh, Eui Kwan; Moon, Dohyun; Hong, Chang Seop

    2016-12-06

    We synthesized six Fe(iii)-Mn(iii) bimetallic compounds by self-assembling the newly developed mer-Fe cyanide PPh 4 [Fe(Clqpa)(CN) 3 ]·H 2 O (1) and PPh 4 [Fe(Brqpa)(CN) 3 ]·H 2 O (2) with Mn Schiff base Mn(5-Xsalen) + cations. These compounds include [Fe(Xqpa)(CN) 3 ][Mn(5-Ysalen)]·pMeOH·qH 2 O [qpaH 2 = N-(quinolin-8-yl)picolinamide; salen = N,N'-ethylenebis(salicylideneiminato) dianion; X = Cl, Y = H (3); X = Cl, Y = Br (4); X = Br, Y = H (5); X = Br, Y = F (6); X = Br, Y = Cl (7); X = Br, Y = Br (8)]. When precursor 1 was used, compounds 3 and 4 were isolated to give a dinuclear entity and a linear chain structure, respectively. The reaction of precursor 2 with the Schiff bases afforded four linear Fe(iii)-Mn(iii) chain complexes. Chain chirality with P- and M-helicity emerges in 4, 7, and 8, while 5 exhibits chain helicity opposite to the previous chain complexes and 6 presents no chain helicity. Such a structural feature is heavily dependent on the interchain π-π contacts and the Fe precursor bridging unit. Chiral induction from a local ethylenediamine link of Y-salen is propagated over the chain via noncovalent π-π interactions. All the bimetallic compounds show antiferromagnetic interactions transmitted by the cyanide linkage. A field-induced metamagnetic transition is involved in 4, 7, and 8, while a field-induced two-step transition is evident in 6. From a magnetostructural viewpoint, the coupling constant is primarily governed by the Mn-N ax -C ax angle (ax = axial) in the bimetallic chain complexes composed of mer-Fe(iii) tricyanides, although the torsion angle plays a role.

  20. Syntheses, crystal structures, and magnetic properties of four new cyano-bridged bimetallic complexes based on the mer-[Fe(III)(qcq)(CN)3]- building block.

    PubMed

    Shen, Xiaoping; Zhou, Hongbo; Yan, Jiahao; Li, Yanfeng; Zhou, Hu

    2014-01-06

    Four new cyano-bridged bimetallic complexes, [{Mn(III)(salen)}2{Fe(III)(qcq)(CN)3}2]n·3nCH3CN·nH2O (1) [salen = N,N'-ethylenebis(salicylideneiminato) dianion; qcq(-) = 8-(2-quinoline-2-carboxamido)quinoline anion], [{Mn(III)(salpn)}2{Fe(III)(qcq)(CN)3}2]n·4nH2O (2) [salpn = N,N'-1,2-propylenebis(salicylideneiminato)dianion], [{Mn(II)(bipy)(CH3OH)}{Fe(III)(qcq)(CN)3}2]2·2H2O·2CH3OH (3) (bipy = 2,2'-bipyridine), and [{Mn(II)(phen)2}{Fe(III)(qcq)(CN)3}2]·CH3CN·2H2O (4) (phen = 1,10-phenanthroline) have been synthesized and characterized both structurally and magnetically. The structures of 1 and 2 are both unique 1-D linear branch chains with additional structural units of {Mn(III)(salen/salpn)}{Fe(III)(qcq)(CN)3} dangling on the sides. In contrast, 3 and 4 are cyano-bridged bimetallic hexanuclear and trinuclear clusters, respectively. The intermolecular short contacts such as π-π interactions and hydrogen bonds extend 1-4 into high dimensional supermolecular networks. Magnetic investigation reveals the dominant intramolecular antiferromagnetic interactions in 1, 3, and 4, while ferromagnetic and antiferromagnetic interactions coexist in 2. Alternating current measurement at low temperature indicates the existence of slow magnetic relaxation in 1 and 2, which should be due to the single ion anisotropy of Mn(III).

  1. Evaluation of Creative Problem-Solving Abilities in Undergraduate Structural Engineers through Interdisciplinary Problem-Based Learning

    ERIC Educational Resources Information Center

    McCrum, Daniel Patrick

    2017-01-01

    For a structural engineer, effective communication and interaction with architects cannot be underestimated as a key skill to success throughout their professional career. Structural engineers and architects have to share a common language and understanding of each other in order to achieve the most desirable architectural and structural designs.…

  2. Electronic structure and relative stability of the coherent and semi-coherent HfO2/III-V interfaces

    NASA Astrophysics Data System (ADS)

    Lahti, A.; Levämäki, H.; Mäkelä, J.; Tuominen, M.; Yasir, M.; Dahl, J.; Kuzmin, M.; Laukkanen, P.; Kokko, K.; Punkkinen, M. P. J.

    2018-01-01

    III-V semiconductors are prominent alternatives to silicon in metal oxide semiconductor devices. Hafnium dioxide (HfO2) is a promising oxide with a high dielectric constant to replace silicon dioxide (SiO2). The potentiality of the oxide/III-V semiconductor interfaces is diminished due to high density of defects leading to the Fermi level pinning. The character of the harmful defects has been intensively debated. It is very important to understand thermodynamics and atomic structures of the interfaces to interpret experiments and design methods to reduce the defect density. Various realistic gap defect state free models for the HfO2/III-V(100) interfaces are presented. Relative energies of several coherent and semi-coherent oxide/III-V semiconductor interfaces are determined for the first time. The coherent and semi-coherent interfaces represent the main interface types, based on the Ga-O bridges and As (P) dimers, respectively.

  3. A comprehensive study of g-factors, elastic, structural and electronic properties of III-V semiconductors using hybrid-density functional theory

    NASA Astrophysics Data System (ADS)

    Bastos, Carlos M. O.; Sabino, Fernando P.; Sipahi, Guilherme M.; Da Silva, Juarez L. F.

    2018-02-01

    Despite the large number of theoretical III-V semiconductor studies reported every year, our atomistic understanding is still limited. The limitations of the theoretical approaches to yield accurate structural and electronic properties on an equal footing, is due to the unphysical self-interaction problem that mainly affects the band gap and spin-orbit splitting (SOC) in semiconductors and, in particular, III-V systems with similar magnitude of the band gap and SOC. In this work, we report a consistent study of the structural and electronic properties of the III-V semiconductors by using the screening hybrid-density functional theory framework, by fitting the α parameters for 12 different III-V compounds, namely, AlN, AlP, AlAs, AlSb, GaN, GaP, GaAs, GaSb, InN, InP, InAs, and InSb, to minimize the deviation between the theoretical and experimental values of the band gap and SOC. Structural relaxation effects were also included. Except for AlP, whose α = 0.127, we obtained α values that ranged from 0.209 to 0.343, which deviate by less than 0.1 from the universal value of 0.25. Our results for the lattice parameter and elastic constants indicate that the fitting of α does not affect those structural parameters when compared with the HSE06 functional, where α = 0.25. Our analysis of the band structure based on the k ṡ p method shows that the effective masses are in agreement with the experimental values, which can be attributed to the simultaneous fitting of the band gap and SOC. Also, we estimate the values of g-factors, extracted directly from the band structure, which are close to experimental results, which indicate that the obtained band structure produced a realistic set of k ṡ p parameters.

  4. Ferromagnetic dinuclear mixed-valence Mn(II)/Mn(III) complexes: building blocks for the higher nuclearity complexes. structure, magnetic properties, and density functional theory calculations.

    PubMed

    Hänninen, Mikko M; Välivaara, Juha; Mota, Antonio J; Colacio, Enrique; Lloret, Francesc; Sillanpää, Reijo

    2013-02-18

    A series of six mixed-valence Mn(II)/Mn(III) dinuclear complexes were synthesized and characterized by X-ray diffraction. The reactivity of the complexes was surveyed, and structures of three additional trinuclear mixed-valence Mn(III)/Mn(II)/Mn(III) species were resolved. The magnetic properties of the complexes were studied in detail both experimentally and theoretically. All dinuclear complexes show ferromagnetic intramolecular interactions, which were justified on the basis of the electronic structures of the Mn(II) and Mn(III) ions. The large Mn(II)-O-Mn(III) bond angle and small distortion of the Mn(II) cation from the ideal square pyramidal geometry were shown to enhance the ferromagnetic interactions since these geometrical conditions seem to favor the orthogonal arrangement of the magnetic orbitals.

  5. Spectroscopic, structural characterizations and antioxidant capacity of the chromium (III) niacinamide compound as a diabetes mellitus drug model

    NASA Astrophysics Data System (ADS)

    Refat, Moamen S.; El-Megharbel, Samy M.; Hussien, M. A.; Hamza, Reham Z.; Al-Omar, Mohamed A.; Naglah, Ahmed M.; Afifi, Walid M.; Kobeasy, Mohamed I.

    2017-02-01

    New binuclear chromium (III) niacinamide compound with chemical formula [Cr2(Nic)(Cl)6(H2O)4]·H2O was obtained upon the reaction of chromium (III) chloride with niacinamide (Nic) in methanol solvent at 60 °C. The proposed structure was discussed with the help of microanalytical analyses, conductivity, spectroscopic (FT-IR and UV-vis.), magnetic calculations, thermogravimetric analyses (TG/TGA), and morphological studies (X-ray of solid powder and scan electron microscopy. The infrared spectrum of free niacinamide in comparison with its chromium (III) compound indicated that the chelation mode occurs via both nitrogen atoms of pyridine ring and primary -NH2 group. The efficiency of chromium (III) niacinamide compound in decreasing of glucose level of blood and HbA1c in case of diabetic rats was checked. The ameliorating gluconeogenic enzymes, lipid profile and antioxidant defense capacities are considered as an indicator of the efficiency of new chromium (III) compound as antidiabetic drug model.

  6. 40 CFR Appendix III to Part 92 - Smoke Standards for Non-Normalized Measurements

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ...) AIR PROGRAMS (CONTINUED) CONTROL OF AIR POLLUTION FROM LOCOMOTIVES AND LOCOMOTIVE ENGINES Pt. 92, App. III Appendix III to Part 92—Smoke Standards for Non-Normalized Measurements Table III-1—Equivalent... 40 Protection of Environment 21 2013-07-01 2013-07-01 false Smoke Standards for Non-Normalized...

  7. 40 CFR Appendix III to Part 92 - Smoke Standards for Non-Normalized Measurements

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ...) AIR PROGRAMS (CONTINUED) CONTROL OF AIR POLLUTION FROM LOCOMOTIVES AND LOCOMOTIVE ENGINES Pt. 92, App. III Appendix III to Part 92—Smoke Standards for Non-Normalized Measurements Table III-1—Equivalent... 40 Protection of Environment 20 2011-07-01 2011-07-01 false Smoke Standards for Non-Normalized...

  8. 40 CFR Appendix III to Part 92 - Smoke Standards for Non-Normalized Measurements

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ...) AIR PROGRAMS (CONTINUED) CONTROL OF AIR POLLUTION FROM LOCOMOTIVES AND LOCOMOTIVE ENGINES Pt. 92, App. III Appendix III to Part 92—Smoke Standards for Non-Normalized Measurements Table III-1—Equivalent... 40 Protection of Environment 21 2012-07-01 2012-07-01 false Smoke Standards for Non-Normalized...

  9. 40 CFR Appendix III to Part 92 - Smoke Standards for Non-Normalized Measurements

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ...) AIR PROGRAMS (CONTINUED) CONTROL OF AIR POLLUTION FROM LOCOMOTIVES AND LOCOMOTIVE ENGINES Pt. 92, App. III Appendix III to Part 92—Smoke Standards for Non-Normalized Measurements Table III-1—Equivalent... 40 Protection of Environment 20 2014-07-01 2013-07-01 true Smoke Standards for Non-Normalized...

  10. 40 CFR Appendix III to Part 92 - Smoke Standards for Non-Normalized Measurements

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ...) AIR PROGRAMS (CONTINUED) CONTROL OF AIR POLLUTION FROM LOCOMOTIVES AND LOCOMOTIVE ENGINES Pt. 92, App. III Appendix III to Part 92—Smoke Standards for Non-Normalized Measurements Table III-1—Equivalent... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Smoke Standards for Non-Normalized...

  11. Work extremum principle: structure and function of quantum heat engines.

    PubMed

    Allahverdyan, Armen E; Johal, Ramandeep S; Mahler, Guenter

    2008-04-01

    We consider a class of quantum heat engines consisting of two subsystems interacting with a work-source and coupled to two separate baths at different temperatures Th>Tc. The purpose of the engine is to extract work due to the temperature difference. Its dynamics is not restricted to the near equilibrium regime. The engine structure is determined by maximizing the extracted work under various constraints. When this maximization is carried out at finite power, the engine dynamics is described by well-defined temperatures and satisfies the local version of the second law. In addition, its efficiency is bounded from below by the Curzon-Ahlborn value 1-radical Tc/Th and from above by the Carnot value 1-(Tc/Th). The latter is reached-at finite power--for a macroscopic engine, while the former is achieved in the equilibrium limit Th-->Tc . The efficiency that maximizes the power is strictly larger than the Curzon-Ahloborn value. When the work is maximized at a zero power, even a small (few-level) engine extracts work right at the Carnot efficiency.

  12. NASA Lewis Research Center/university graduate research program on engine structures

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.

    1985-01-01

    NASA Lewis Research Center established a graduate research program in support of the Engine Structures Research activities. This graduate research program focuses mainly on structural and dynamics analyses, computational mechanics, mechanics of composites and structural optimization. The broad objectives of the program, the specific program, the participating universities and the program status are briefly described.

  13. NASA Lewis Research Center/University Graduate Research Program on Engine Structures

    NASA Technical Reports Server (NTRS)

    Chamis, C. C.

    1985-01-01

    NASA Lewis Research Center established a graduate research program in support of the Engine Structures Research activities. This graduate research program focuses mainly on structural and dynamics analyses, computational mechanics, mechanics of composites and structural optimization. The broad objectives of the program, the specific program, the participating universities and the program status are briefly described.

  14. A Paramagnetic Copper(III) Complex Containing an Octahedral CuIII S6 Coordination Polyhedron.

    PubMed

    Krebs, Carsten; Glaser, Thorsten; Bill, Eckhard; Weyhermüller, Thomas; Meyer-Klaucke, Wolfram; Wieghardt, Karl

    1999-02-01

    Only the second octahedral, paramagnetic copper(III) complex (S=1) has now been synthesized and characterized. Six thiolato bridging ligands in the heterotrinuclear species [LCo III Cu III Co III L](ClO 4 ) 3 ⋅2 Me 2 CO (L=1,4,7-tris(4-tert-butyl-2-sulfidobenzyl)-1,4,7-triazacyclononane) stabilize this rare electron configuration. A section of the structure of the reduced form (Cu II , S=½) is shown. XAS, EXAFS, and EPR spectroscopy prove unambiguously that the one-electron oxidation to the copper(III) is metal- rather than ligand-centered. © 1999 WILEY-VCH Verlag GmbH, Weinheim, Fed. Rep. of Germany.

  15. A binuclear Mn(III) complex of a scorpiand-like ligand displaying a single unsupported Mn(III)-O-Mn(III) bridge.

    PubMed

    Blasco, Salvador; Cano, Joan; Clares, M Paz; García-Granda, Santiago; Doménech, Antonio; Jiménez, Hermas R; Verdejo, Begoña; Lloret, Francesc; García-España, Enrique

    2012-11-05

    The crystal structure of a binuclear Mn(III) complex of a scorpiand-like ligand (L) displays an unsupported single oxo bridging ligand with a Mn(III)-O-Mn(III) angle of 174.7°. Magnetic susceptibility measurements indicate strong antiferromagnetic coupling between the two metal centers. DFT calculations have been carried out to understand the magnetic behavior and to analyze the nature of the observed Jahn-Teller distortion. Paramagnetic (1)H NMR has been applied to rationalize the formation and magnetic features of the complexes formed in solution.

  16. 14 CFR 25.1182 - Nacelle areas behind firewalls, and engine pod attaching structures containing flammable fluid...

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... pod attaching structures containing flammable fluid lines. 25.1182 Section 25.1182 Aeronautics and..., and engine pod attaching structures containing flammable fluid lines. (a) Each nacelle area immediately behind the firewall, and each portion of any engine pod attaching structure containing flammable...

  17. 14 CFR 25.1182 - Nacelle areas behind firewalls, and engine pod attaching structures containing flammable fluid...

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... pod attaching structures containing flammable fluid lines. 25.1182 Section 25.1182 Aeronautics and..., and engine pod attaching structures containing flammable fluid lines. (a) Each nacelle area immediately behind the firewall, and each portion of any engine pod attaching structure containing flammable...

  18. Molecular structure and biological studies on Cr(III), Mn(II) and Fe(III) complexes of heterocyclic carbohydrazone ligand.

    PubMed

    Abu El-Reash, G M; El-Gammal, O A; Radwan, A H

    2014-01-01

    The chelating behavior of the ligand (H2APC) based on carbohydrazone core modified with pyridine end towards Cr(III), Mn(II) and Fe(III) ions have been examined. The (1)H NMR and IR data for H2APC revealed the presence of two stereoisomers syn and anti in both solid state and in solution in addition to the tautomeric versatility based on the flexible nature of the hydrazone linkage leading to varied coordination modes. The spectroscopic data confirmed that the ligand behaves as a monobasic tridentate in Cr(III) and Fe(III) complexes and as neutral tetradentate in Mn(II) complex. The electronic spectra as well as the magnetic measurements confirmed the octahedral geometry for all complexes. The bond length and angles were evaluated by DFT method using material studio program for all complexes. The thermal behavior and the kinetic parameters of degradation were determined using Coats-Redfern and Horowitz-Metzger methods. The antioxidant (DDPH and ABTS methods), anti-hemolytic and cytotoxic activities of the compounds have been screened. Cr(III) complex and H2APC showed the highest antioxidant activity using ABTS and DPPH methods. With respect to in vitro Ehrlich ascites assay, H2APC exhibited the potent activity followed by Fe(III) and Cr(III)complexes. Copyright © 2013 Elsevier B.V. All rights reserved.

  19. Structural comparative studies on new MnII, CrIII and RuIII complexes derived from 2,4,6-tri-(2-pyridyl)-1,3,5-triazine (TPTZ)

    NASA Astrophysics Data System (ADS)

    Al-Assy, Waleed H.; El-Askalany, Abdel Moneum H.; Mostafa, Mohsen M.

    2013-12-01

    The structure of a new MnII complex, [Mn(TPTZ)Cl2(H2O)]ṡH2O, was established by a single crystal X-ray diffraction. Crystal data are as follow: monoclinic, P21/c, a = 8.7202 (3) Å, b = 11.5712 (4) Å, c = 20.8675 (9) Å, β = 11 (18) × 1010, V = 2029.27 (13) Å3, Z = 4. The HOMO, LUMO and other DFT parameters on the atoms have been calculated to confirm the geometry of the ligand and its complexes using material studio program. The complexes were characterized by elemental analyses, spectral, magnetic, thermal and cyclic voltammetry measurements. Electronic spectra and magnetic moments of the complexes suggest distorted-octahedral structures around the metal ions (MnII, CrIII and RuIII). The redox properties were investigated by cyclic voltammetry. Kinetic parameters were determined using Coats-Redfern and Horowitz-Metzger methods. The results of DNA studies of the metal complexes promised to be effective in tumour treatment.

  20. Effect of engineered environment on microbial community structure in biofilter and biofilm on reverse osmosis membrane.

    PubMed

    Jeong, Sanghyun; Cho, Kyungjin; Jeong, Dawoon; Lee, Seockheon; Leiknes, TorOve; Vigneswaran, Saravanamuthu; Bae, Hyokwan

    2017-11-01

    Four dual media filters (DMFs) were operated in a biofiltration mode with different engineered environments (DMF I and II: coagulation with/without acidification and DMF III and IV: without/with chlorination). Designed biofilm enrichment reactors (BERs) containing the removable reverse osmosis (RO) coupons, were connected at the end of the DMFs in parallel to analyze the biofilm on the RO membrane by DMF effluents. Filtration performances were evaluated in terms of dissolved organic carbon (DOC) and assimilable organic carbon (AOC). Organic foulants on the RO membrane were also quantified and fractionized. The bacterial community structures in liquid (seawater and effluent) and biofilm (DMF and RO) samples were analyzed using 454-pyrosequencing. The DMF IV fed with the chlorinated seawater demonstrated the highest reductions of DOC including LMW-N as well as AOC among the other DMFs. The DMF IV was also effective in reducing organic foulants on the RO membrane surface. The bacterial community structure was grouped according to the sample phase (i.e., liquid and biofilm samples), sampling location (i.e., DMF and RO samples), and chlorination (chlorinated and non-chlorinated samples). In particular, the biofilm community in the DMF IV differed from the other DMF treatments, suggesting that chlorination exerted as stronger selective pressure than pH adjustment or coagulation on the biofilm community. In the DMF IV, several chemoorganotrophic chlorine-resistant biofilm-forming bacteria such as Hyphomonas, Erythrobacter, and Sphingomonas were predominant, and they may enhance organic carbon degradation efficiency. Diverse halophilic or halotolerant organic degraders were also found in other DMFs (i.e., DMF I, II, and III). Various kinds of dominant biofilm-forming bacteria were also investigated in RO membrane samples; the results provided possible candidates that cause biofouling when DMF process is applied as the pretreatment option for the RO process. Copyright

  1. A real-time all-atom structural search engine for proteins.

    PubMed

    Gonzalez, Gabriel; Hannigan, Brett; DeGrado, William F

    2014-07-01

    Protein designers use a wide variety of software tools for de novo design, yet their repertoire still lacks a fast and interactive all-atom search engine. To solve this, we have built the Suns program: a real-time, atomic search engine integrated into the PyMOL molecular visualization system. Users build atomic-level structural search queries within PyMOL and receive a stream of search results aligned to their query within a few seconds. This instant feedback cycle enables a new "designability"-inspired approach to protein design where the designer searches for and interactively incorporates native-like fragments from proven protein structures. We demonstrate the use of Suns to interactively build protein motifs, tertiary interactions, and to identify scaffolds compatible with hot-spot residues. The official web site and installer are located at http://www.degradolab.org/suns/ and the source code is hosted at https://github.com/godotgildor/Suns (PyMOL plugin, BSD license), https://github.com/Gabriel439/suns-cmd (command line client, BSD license), and https://github.com/Gabriel439/suns-search (search engine server, GPLv2 license).

  2. Genetic code expansion for multiprotein complex engineering.

    PubMed

    Koehler, Christine; Sauter, Paul F; Wawryszyn, Mirella; Girona, Gemma Estrada; Gupta, Kapil; Landry, Jonathan J M; Fritz, Markus Hsi-Yang; Radic, Ksenija; Hoffmann, Jan-Erik; Chen, Zhuo A; Zou, Juan; Tan, Piau Siong; Galik, Bence; Junttila, Sini; Stolt-Bergner, Peggy; Pruneri, Giancarlo; Gyenesei, Attila; Schultz, Carsten; Biskup, Moritz Bosse; Besir, Hueseyin; Benes, Vladimir; Rappsilber, Juri; Jechlinger, Martin; Korbel, Jan O; Berger, Imre; Braese, Stefan; Lemke, Edward A

    2016-12-01

    We present a baculovirus-based protein engineering method that enables site-specific introduction of unique functionalities in a eukaryotic protein complex recombinantly produced in insect cells. We demonstrate the versatility of this efficient and robust protein production platform, 'MultiBacTAG', (i) for the fluorescent labeling of target proteins and biologics using click chemistries, (ii) for glycoengineering of antibodies, and (iii) for structure-function studies of novel eukaryotic complexes using single-molecule Förster resonance energy transfer as well as site-specific crosslinking strategies.

  3. Fine-structure excitation of Fe II and Fe III due to collisions with electrons

    NASA Astrophysics Data System (ADS)

    Wan, Yier; Qi, Yueying; Favreau, Connor; Loch, Stuart; Stancil, P.; Ballance, Connor; McLaughlin, Brendan

    2018-06-01

    Atomic data of iron peak elements are of great importance in astronomical observations. Among all the ionization stages of iron, Fe II and Fe III are of particular importance because of the high cosmic abundance, relatively low ionization potential and complex open d-shell atomic structure. Fe II and Fe III emission are observed from nearly all classes of astronomical objects over a wide spectral range from the infrared to the ultraviolet. To meaningfully interpret these spectra, astronomers have to employ highly complex modeling codes with reliable collision data to simulate the astrophysical observations. The major aim of this work is to provide reliable atomic data for diagnostics. We present new collision strengths and effective collisions for electron impact excitation of Fe II and Fe III for the forbidden transitions among the fine-structure levels of the ground terms. A very fine energy mesh is used for the collision strengths and the effective collision strengths are calculated over a wide range of electron temperatures of astrophysical importance (10-2000 K). The configuration interaction state wave functions are generated with a scaled Thomas-Fermi-Dirac-Amaldi (TFDA) potential, while the R-matrix plus intermediate coupling frame transformation (ICFT), Breit-Pauli R-matrix and Dirac R-matrix packages are used to obtain collision strengths. Influences of the different methods and configuration expansions on the collisional data are discussed. Comparison is made with earlier theoretical work and differences are found to occur at the low temperatures considered here.This work was funded by NASA grant NNX15AE47G.

  4. 40 CFR 1042.605 - Dressing engines already certified to other standards for nonroad or heavy-duty highway engines...

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... and all related components. (ii) Replacing an original turbocharger, except that small-volume engine manufacturers may replace an original turbocharger on a recreational engine with one that matches the performance of the original turbocharger. (iii) Modify or design the marine engine cooling or aftercooling...

  5. 40 CFR 1042.605 - Dressing engines already certified to other standards for nonroad or heavy-duty highway engines...

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... and all related components. (ii) Replacing an original turbocharger, except that small-volume engine manufacturers may replace an original turbocharger on a recreational engine with one that matches the performance of the original turbocharger. (iii) Modify or design the marine engine cooling or aftercooling...

  6. 40 CFR 1042.605 - Dressing engines already certified to other standards for nonroad or heavy-duty highway engines...

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... and all related components. (ii) Replacing an original turbocharger, except that small-volume engine manufacturers may replace an original turbocharger on a recreational engine with one that matches the performance of the original turbocharger. (iii) Modify or design the marine engine cooling or aftercooling...

  7. 40 CFR 1042.605 - Dressing engines already certified to other standards for nonroad or heavy-duty highway engines...

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... and all related components. (ii) Replacing an original turbocharger, except that small-volume engine manufacturers may replace an original turbocharger on a recreational engine with one that matches the performance of the original turbocharger. (iii) Modify or design the marine engine cooling or aftercooling...

  8. Dynamic and Structural Gas Turbine Engine Modeling

    NASA Technical Reports Server (NTRS)

    Turso, James A.

    2003-01-01

    Model the interactions between the structural dynamics and the performance dynamics of a gas turbine engine. Generally these two aspects are considered separate, unrelated phenomena and are studied independently. For diagnostic purposes, it is desirable to bring together as much information as possible, and that involves understanding how performance is affected by structural dynamics (if it is) and vice versa. This can involve the relationship between thrust response and the excitation of structural modes, for instance. The job will involve investigating and characterizing these dynamical relationships, generating a model that incorporates them, and suggesting and/or developing diagnostic and prognostic techniques that can be incorporated in a data fusion system. If no coupling is found, at the least a vibration model should be generated that can be used for diagnostics and prognostics related to blade loss, for instance.

  9. Making structures for cell engineering.

    PubMed

    Wilkinson, C D W

    2004-10-22

    This is a mainly historical account of the events, methods and artifacts arising from my collaboration with Adam Curtis over the past twenty years to make exercise grounds for biological cells. Initially the structures were made in fused silica by photo-lithography and dry etching. The need to make micron-sized features in biodegradable polymers, led to the development of embossing techniques. Some cells response to grooves only a few tens of nanometers deep--this led to a desire to find the response of cells to features of nanometric size overall. Regular arrays of such features were made using electron beam lithography for definition of the pattern. Improvements were made in the lithographic techniques to allow arrays to be defined over areas bigger than 1 cm2. Structures with microelectrodes arranged inside guiding grooves to allow the formation of sparse predetermined networks of neurons were made. It is concluded that the creation of pattern, as in vivo, in assemblies of regrown cells in scaffolds may well be necessary in advanced cell engineering applications.

  10. Remote online monitoring and measuring system for civil engineering structures

    NASA Astrophysics Data System (ADS)

    Kujawińska, Malgorzata; Sitnik, Robert; Dymny, Grzegorz; Karaszewski, Maciej; Michoński, Kuba; Krzesłowski, Jakub; Mularczyk, Krzysztof; Bolewicki, Paweł

    2009-06-01

    In this paper a distributed intelligent system for civil engineering structures on-line measurement, remote monitoring, and data archiving is presented. The system consists of a set of optical, full-field displacement sensors connected to a controlling server. The server conducts measurements according to a list of scheduled tasks and stores the primary data or initial results in a remote centralized database. Simultaneously the server performs checks, ordered by the operator, which may in turn result with an alert or a specific action. The structure of whole system is analyzed along with the discussion on possible fields of application and the ways to provide a relevant security during data transport. Finally, a working implementation consisting of a fringe projection, geometrical moiré, digital image correlation and grating interferometry sensors and Oracle XE database is presented. The results from database utilized for on-line monitoring of a threshold value of strain for an exemplary area of interest at the engineering structure are presented and discussed.

  11. QM/MM structural and spectroscopic analysis of the di-iron(II) and di-iron(III) ferroxidase site in M ferritin.

    PubMed

    Harris, Travis V; Morokuma, Keiji

    2013-08-05

    Ferritins are cage-like proteins composed of 24 subunits that take up iron(II) and store it as an iron(III) oxide mineral core. A critical step is the ferroxidase reaction, in which oxygen reacts with a di-iron(II) site, proceeding through a peroxo intermediate, to form μ-oxo/hydroxo-bridged di-iron(III) products. The recent crystal structures of copper(II)- and iron(III)-bound frog M ferritin at 2.8 Å resolution [Bertini; et al. J. Am. Chem. Soc. 2012, 134, 6169-6176] provided an opportunity to theoretically investigate the detailed structures of the reactant state and products. In this study, the quantum mechanical/molecular mechanical ONIOM method is used to structurally optimize a series of single-subunit models with various hydration, protonation, and coordination states of the ferroxidase site. Calculated exchange coupling constants (J), Mössbauer parameters, and time-dependent density functional theoretical (TD-DFT) circular dichroism spectra with electronic embedding are compared with the available experimental data. The di-iron(II) model with the most experimentally consistent structural and spectroscopic parameters has 5-coordinate iron centers with Glu23, Glu58, His61, and two waters completing one coordination sphere, and His54, Glu58, Glu103, and Asp140 completing the other. In contrast to a previously proposed structure, Gln137 is not directly coordinated, but it is involved in hydrogen bonding with several iron ligands. For the di-iron(III) products, we find that a μ-oxo-bridged and two doubly bridged (μ-hydroxo and μ-oxo/hydroxo) species are likely coproduced. Although four quadrupole doublets were observed experimentally, we find that two doublets may arise from a single asymmetrically coordinated ferroxidase site. These proposed key structures will help to explore the pathway connecting the di-Fe(II) state to the peroxo intermediate and the branching mechanisms leading to the multiple products.

  12. Structural and magnetic properties of two- and three-dimensional molecule-based magnets (cat) +[M IIM III(C 2O 4) 3] -

    NASA Astrophysics Data System (ADS)

    Ovanesyan, Nikolai S.; Shilov, Gena V.; Pyalling, Alex A.; Train, Cyrille; Gredin, Patrick; Gruselle, Michel; Kiss, László F.; Bottyán, László

    2004-05-01

    We discuss the different structural arrangements of NBu 4[Fe IICr III(C 2O 4) 3] layered compounds in their racemic and enantiomeric forms and related magnetic properties. For [Mn IIFe III(C 2O 4) 3] networks of dimensionalities 2 and 3 Mössbauer spectroscopy was applied to study the Fe III sublattice magnetization. Unusual magnetic relaxation phenomena below TN were observed for both 2D and 3D networks.

  13. Evaluation of creative problem-solving abilities in undergraduate structural engineers through interdisciplinary problem-based learning

    NASA Astrophysics Data System (ADS)

    McCrum, Daniel Patrick

    2017-11-01

    For a structural engineer, effective communication and interaction with architects cannot be underestimated as a key skill to success throughout their professional career. Structural engineers and architects have to share a common language and understanding of each other in order to achieve the most desirable architectural and structural designs. This interaction and engagement develops during their professional career but needs to be nurtured during their undergraduate studies. The objective of this paper is to present the strategies employed to engage higher order thinking in structural engineering students in order to help them solve complex problem-based learning (PBL) design scenarios presented by architecture students. The strategies employed were applied in the experimental setting of an undergraduate module in structural engineering at Queen's University Belfast in the UK. The strategies employed were active learning to engage with content knowledge, the use of physical conceptual structural models to reinforce key concepts and finally, reinforcing the need for hand sketching of ideas to promote higher order problem-solving. The strategies employed were evaluated through student survey, student feedback and module facilitator (this author) reflection. The strategies were qualitatively perceived by the tutor and quantitatively evaluated by students in a cross-sectional study to help interaction with the architecture students, aid interdisciplinary learning and help students creatively solve problems (through higher order thinking). The students clearly enjoyed this module and in particular interacting with structural engineering tutors and students from another discipline.

  14. 40 CFR 90.410 - Engine test cycle.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 20 2010-07-01 2010-07-01 false Engine test cycle. 90.410 Section 90... Procedures § 90.410 Engine test cycle. (a) Follow the appropriate 6-mode test cycle for Class I, I-B and II engines and 2-mode test cycle for Class I-A, III, IV, and V engines when testing spark-ignition engines...

  15. Orthogonal higher order structure and confirmatory factor analysis of the French Wechsler Adult Intelligence Scale (WAIS-III).

    PubMed

    Golay, Philippe; Lecerf, Thierry

    2011-03-01

    According to the most widely accepted Cattell-Horn-Carroll (CHC) model of intelligence measurement, each subtest score of the Wechsler Intelligence Scale for Adults (3rd ed.; WAIS-III) should reflect both 1st- and 2nd-order factors (i.e., 4 or 5 broad abilities and 1 general factor). To disentangle the contribution of each factor, we applied a Schmid-Leiman orthogonalization transformation (SLT) to the standardization data published in the French technical manual for the WAIS-III. Results showed that the general factor accounted for 63% of the common variance and that the specific contributions of the 1st-order factors were weak (4.7%-15.9%). We also addressed this issue by using confirmatory factor analysis. Results indicated that the bifactor model (with 1st-order group and general factors) better fit the data than did the traditional higher order structure. Models based on the CHC framework were also tested. Results indicated that a higher order CHC model showed a better fit than did the classical 4-factor model; however, the WAIS bifactor structure was the most adequate. We recommend that users do not discount the Full Scale IQ when interpreting the index scores of the WAIS-III because the general factor accounts for the bulk of the common variance in the French WAIS-III. The 4 index scores cannot be considered to reflect only broad ability because they include a strong contribution of the general factor.

  16. Anti-EGFRvIII Chimeric Antigen Receptor-Modified T Cells for Adoptive Cell Therapy of Glioblastoma

    PubMed Central

    Ren, Pei-pei; Li, Ming; Li, Tian-fang; Han, Shuang-yin

    2017-01-01

    Glioblastoma (GBM) is one of the most devastating brain tumors with poor prognosis and high mortality. Although radical surgical treatment with subsequent radiation and chemotherapy can improve the survival, the efficacy of such regimens is insufficient because the GBM cells can spread and destroy normal brain structures. Moreover, these non-specific treatments may damage adjacent healthy brain tissue. It is thus imperative to develop novel therapies to precisely target invasive tumor cells without damaging normal tissues. Immunotherapy is a promising approach due to its capability to suppress the growth of various tumors in preclinical model and clinical trials. Adoptive cell therapy (ACT) using T cells engineered with chimeric antigen receptor (CAR) targeting an ideal molecular marker in GBM, e.g. epidermal growth factor receptor type III (EGFRvIII) has demonstrated a satisfactory efficacy in treating malignant brain tumors. Here we summarize the recent progresses in immunotherapeutic strategy using CAR-modified T cells oriented to EGFRvIII against GBM. PMID:28302023

  17. Coupled multi-disciplinary simulation of composite engine structures in propulsion environment

    NASA Technical Reports Server (NTRS)

    Chamis, Christos C.; Singhal, Surendra N.

    1992-01-01

    A computational simulation procedure is described for the coupled response of multi-layered multi-material composite engine structural components which are subjected to simultaneous multi-disciplinary thermal, structural, vibration, and acoustic loadings including the effect of hostile environments. The simulation is based on a three dimensional finite element analysis technique in conjunction with structural mechanics codes and with acoustic analysis methods. The composite material behavior is assessed at the various composite scales, i.e., the laminate/ply/constituents (fiber/matrix), via a nonlinear material characterization model. Sample cases exhibiting nonlinear geometrical, material, loading, and environmental behavior of aircraft engine fan blades, are presented. Results for deformed shape, vibration frequency, mode shapes, and acoustic noise emitted from the fan blade, are discussed for their coupled effect in hot and humid environments. Results such as acoustic noise for coupled composite-mechanics/heat transfer/structural/vibration/acoustic analyses demonstrate the effectiveness of coupled multi-disciplinary computational simulation and the various advantages of composite materials compared to metals.

  18. Thermal/structural Tailoring of Engine Blades (T/SEAEBL). Theoretical Manual

    NASA Technical Reports Server (NTRS)

    Brown, K. W.; Clevenger, W. B.

    1994-01-01

    The Thermal/Structural Tailoring of Engine Blades (T/STAEBL) system is a family of computer programs executed by a control program. The T/STAEBL system performs design optimizations of cooled, hollow turbine blades and vanes. This manual describes the T/STAEBL data block structure and system organization. The approximate analysis and optimization modules are detailed, and a validation test case is provided.

  19. Thermal/structural tailoring of engine blades (T/SEAEBL). Theoretical manual

    NASA Astrophysics Data System (ADS)

    Brown, K. W.; Clevenger, W. B.

    1994-03-01

    The Thermal/Structural Tailoring of Engine Blades (T/STAEBL) system is a family of computer programs executed by a control program. The T/STAEBL system performs design optimizations of cooled, hollow turbine blades and vanes. This manual describes the T/STAEBL data block structure and system organization. The approximate analysis and optimization modules are detailed, and a validation test case is provided.

  20. Structure of the cytoplasmic domain of Yersinia pestis YscD, an essential component of the type III secretion system

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lountos, George T.; Tropea, Joseph E.; Waugh, David S.

    2012-09-17

    The Yersinia pestis YscD protein is an essential component of the type III secretion system. YscD consists of an N-terminal cytoplasmic domain (residues 1-121), a transmembrane linker (122-142) and a large periplasmic domain (143-419). Both the cytoplasmic and the periplasmic domains are required for the assembly of the type III secretion system. Here, the structure of the YscD cytoplasmic domain solved by SAD phasing is presented. Although the three-dimensional structure is similar to those of forkhead-associated (FHA) domains, comparison with the structures of canonical FHA domains revealed that the cytoplasmic domain of YscD lacks the conserved residues that are requiredmore » for binding phosphothreonine and is therefore unlikely to function as a true FHA domain.« less

  1. Self-stress control of real civil engineering tensegrity structures

    NASA Astrophysics Data System (ADS)

    Kłosowska, Joanna; Obara, Paulina; Gilewski, Wojciech

    2018-01-01

    The paper introduces the impact of the self-stress level on the behaviour of the tensegrity truss structures. Displacements for real civil engineering tensegrity structures are analysed. Full-scale tensegrity tower Warnow Tower which consists of six Simplex trusses is considered in this paper. Three models consisting of one, two and six modules are analysed. The analysis is performed by the second and third order theory. Mathematica software and Sofistik programme is applied to the analysis.

  2. Structured electron beams from nano-engineered cathodes

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Lueangaramwong, A.; Mihalcea, D.; Andonian, G.

    The ability to engineer cathodes at the nano-scale have open new possibilities such as enhancing quantum eciency via surface-plasmon excitation, forming ultra-low-emittance beams, or producing structured electron beams. In this paper we present numerical investigations of the beam dynamics associated to this class of cathode in the weak- and strong-field regimes.We finally discuss the possible applications of some of the achievable cathode patterns when coupled with other phase space manipulations.

  3. Cabin-fuselage-wing structural design concept with engine installation

    NASA Technical Reports Server (NTRS)

    Ariotti, Scott; Garner, M.; Cepeda, A.; Vieira, J.; Bolton, D.

    1993-01-01

    The purpose of this project is to provide a fuselage structural assembly and wing structural design that will be able to withstand the given operational parameters and loads provided by Federal Aviation Regulation Part 23 (FAR 23) and the Statement of Work (SOW). The goal is to provide a durable lightweight structure that will transfer the applied loads through the most efficient load path. Areas of producibility and maintainability of the structure will also be addressed. All of the structural members will also meet or exceed the desired loading criteria, along with providing adequate stiffness, reliability, and fatigue life as stated in the SOW. Considerations need to be made for control system routing and cabin heating/ventilation. The goal of the wing structure and carry through structure is also to provide a simple, lightweight structure that will transfer the aerodynamic forces produced by the wing, tailboom, and landing gear. These forces will be channeled through various internal structures sized for the pre-determined loading criteria. Other considerations were to include space for flaps, ailerons, fuel tanks, and electrical and control system routing. The difficulties encountered in the fuselage design include expanding the fuselage cabin to accept a third occupant in a staggered configuration and providing ample volume for their safety. By adding a third person the CG of aircraft will move forward so the engine needs to be moved aft to compensate for the difference in the moment. This required the provisions of a ring frame structure for the new position of the engine mount. The difficulties encountered in the wing structural design include resizing the wing for the increased capacity and weight, and compensating for a large torsion produced by the tail boom by placing a great number of stiffeners inside the boom, which will result in the relocation of the fuel tank. Finally, an adequate carry through structure for the wing and fuselage interface will be

  4. SUPERSTARS III: 6-8.

    ERIC Educational Resources Information Center

    North Carolina State Dept. of Public Education, Raleigh.

    SUPERSTARS III is a K-8 program designed as an enrichment opportunity for self-directed learners in mathematics. The basic purpose of SUPERSTARS III is to provide the extra challenge that self-motivated students need in mathematics and to do so in a structured, long-term program that does not impinge on the normal classroom routine or the…

  5. SUPERSTARS III: K-2.

    ERIC Educational Resources Information Center

    North Carolina State Dept. of Public Education, Raleigh.

    SUPERSTARS III is a K-8 program designed as an enrichment opportunity for self-directed learners in mathematics. The basic purpose of SUPERSTARS III is to provide the extra challenge that self-motivated students need in mathematics and to do so in a structured, long-term program that does not impinge on the normal classroom routine or the…

  6. SUPERSTARS III: 3-5.

    ERIC Educational Resources Information Center

    North Carolina State Dept. of Public Education, Raleigh.

    SUPERSTARS III is a K-8 program designed as an enrichment opportunity for self-directed learners in mathematics. The basic purpose of SUPERSTARS III is to provide the extra challenge that self-motivated students need in mathematics and to do so in a structured, long-term program that does not impinge on the normal classroom routine or the…

  7. Fatty acid biosynthesis revisited: Structure elucidation and metabolic engineering

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Beld, Joris; Lee, D. John; Burkart, Michael D.

    Fatty acids are primary metabolites synthesized by complex, elegant, and essential biosynthetic machinery. Fatty acid synthases resemble an iterative assembly line, with an acyl carrier protein conveying the growing fatty acid to necessary enzymatic domains for modification. Each catalytic domain is a unique enzyme spanning a wide range of folds and structures. Although they harbor the same enzymatic activities, two different types of fatty acid synthase architectures are observed in nature. During recent years, strained petroleum supplies have driven interest in engineering organisms to either produce more fatty acids or specific high value products. Such efforts require a fundamental understandingmore » of the enzymatic activities and regulation of fatty acid synthases. Despite more than one hundred years of research, we continue to learn new lessons about fatty acid synthases' many intricate structural and regulatory elements. Lastly, in this review, we summarize each enzymatic domain and discuss efforts to engineer fatty acid synthases, providing some clues to important challenges and opportunities in the field.« less

  8. Fatty acid biosynthesis revisited: Structure elucidation and metabolic engineering

    DOE PAGES

    Beld, Joris; Lee, D. John; Burkart, Michael D.

    2014-10-20

    Fatty acids are primary metabolites synthesized by complex, elegant, and essential biosynthetic machinery. Fatty acid synthases resemble an iterative assembly line, with an acyl carrier protein conveying the growing fatty acid to necessary enzymatic domains for modification. Each catalytic domain is a unique enzyme spanning a wide range of folds and structures. Although they harbor the same enzymatic activities, two different types of fatty acid synthase architectures are observed in nature. During recent years, strained petroleum supplies have driven interest in engineering organisms to either produce more fatty acids or specific high value products. Such efforts require a fundamental understandingmore » of the enzymatic activities and regulation of fatty acid synthases. Despite more than one hundred years of research, we continue to learn new lessons about fatty acid synthases' many intricate structural and regulatory elements. Lastly, in this review, we summarize each enzymatic domain and discuss efforts to engineer fatty acid synthases, providing some clues to important challenges and opportunities in the field.« less

  9. Synthesis, Structure and Antitumour Properties of a New 1,2-Propylenediaminetetraacetate-Ruthenium(III) Compound

    PubMed Central

    Vilaplana, R.; Romero, M. A.; Quirós, M.; Salas, J. M.

    1995-01-01

    A novel complex formed by ruthenium (III) and the sequestering ligand 1,2-propylenediaminetetraacetic acid (PDTA) has been synthetized and characterized. The structure of the monomeric compound, studied by X-ray diffraction , shows an almost symmetric octahedral geometry around the metal ion, with two chlorine atoms in a cis conformation. The antitumour activity against a variety of murine and human cancers is reported. PMID:18472768

  10. Challenges in engineering osteochondral tissue grafts with hierarchical structures.

    PubMed

    Gadjanski, Ivana; Vunjak-Novakovic, Gordana

    2015-01-01

    A major hurdle in treating osteochondral (OC) defects is the different healing abilities of two types of tissues involved - articular cartilage and subchondral bone. Biomimetic approaches to OC-construct engineering, based on recapitulation of biological principles of tissue development and regeneration, have potential for providing new treatments and advancing fundamental studies of OC tissue repair. This review on state of the art in hierarchical OC tissue graft engineering is focused on tissue engineering approaches designed to recapitulate the native milieu of cartilage and bone development. These biomimetic systems are discussed with relevance to bioreactor cultivation of clinically sized, anatomically shaped human cartilage/bone constructs with physiologic stratification and mechanical properties. The utility of engineered OC tissue constructs is evaluated for their use as grafts in regenerative medicine, and as high-fidelity models in biological research. A major challenge in engineering OC tissues is to generate a functionally integrated stratified cartilage-bone structure starting from one single population of mesenchymal cells, while incorporating perfusable vasculature into the bone, and in bone-cartilage interface. To this end, new generations of advanced scaffolds and bioreactors, implementation of mechanical loading regimens and harnessing of inflammatory responses of the host will likely drive the further progress.

  11. Synthesis, crystal structure and characterization of chiral, three-dimensional anhydrous potassium tris(oxalato)ferrate(III)

    NASA Astrophysics Data System (ADS)

    Saritha, A.; Raju, B.; Ramachary, M.; Raghavaiah, P.; Hussain, K. A.

    2012-11-01

    The synthesis, crystal structure and physical properties of chiral, three-dimensional anhydrous potassium tris(oxalato)ferrate(III) [K3Fe(C2O4)3] are described. X-ray analysis reveals that the compound crystallized in the chiral space group P4132 of cubic system with a=b=c=13.5970(2), Z=4. The structure of the complex consists of infinite anionic [Fe(C2O4)3]3- units with distorted octahedral environment of iron surrounded by six oxygen atoms of three oxalato groups. The anionic units are interlinked through K+ ions of three different coordination environments of distorted octahedral, bicapped trigonal prismatic and trigonal prismatic yielding a three-dimensional motif. The two broad absorption bands at 644 and 924 nm from UV-vis-NIR transmittance spectra were ascribed to a ligand-to-metal charge transfer. The room temperature crystalline EPR spectra indicate the high-spin (S=5/2) of Fe(III) ion. The vibrating sample magnetometer measurement shows the paramagnetic nature at room temperature. Thermal studies of the compound confirm the absence of water molecule.

  12. Theoretical study of the magnetic exchange coupling behavior substituting Cr(III) with Mo(III) in cyano-bridged transition metal complexes

    NASA Astrophysics Data System (ADS)

    Zhang, Yi-Quan; Luo, Cheng-Lin

    Molecular magnetism in a series of cyano-bridged first and second transition metal complexes has been investigated using density functional theory (DFT) combined with the broken-symmetry (BS) approach. Several exchange-correlation (XC) functionals in the ADF package were used to investigate complexes I [-(Me3tacn)2(cyclam)NiMo2(CN)6]2+, II [-(Me3tacn)2(cyclam)Ni-Cr2(CN)6]2+, III [(Me3tacn)6MnMo6(CN)18]2+, and IV [(Me3tacn)6MnCr6(CN)18]2+ (Me3tacn = N,N?,N‴-trimethyl-1,4,7-triazacyclononane). For models A (the molded structure of complex I) and B (the modeled structure of complex II), all the XCs given qualitatively reasonable results and predict ferromagnetic coupling character between M (M = MoIII for A or CrIII for B) and NiII in coincidence with the experimental results (see Tables and ). The calculated using Operdew, OPBE, O3LYP, and B3LYP functionals and experimental J values show that substituting CrIII with MoIII will enhance the ferromagnetic exchange coupling interactions. But VWN, PW91, PBE, VSXC, and tau-HCTH functionals have no way to differentiate the relative strength of the intramolecular magnetic exchange coupling interactions of A and B correctly. For models C (the modeled structure of complex III) and D (the modeled structure of complex IV), all the XCs in ADF and B3LYP in Gaussian 03 with several basis sets show that substituting CrIII with MoIII will enhance the antiferromagnetic exchange coupling interactions. From the above calculations, the substitution of CrIII by MoIII will enhance the magnetic coupling interactions, whether the magnetic coupling interactions are ferro- or antiferromagnetic. Moreover, Kahn's model was applied to investigate the above facts.

  13. Synthesis and structures of a pincer-type rhodium(iii) complex: reactivity toward biomolecules.

    PubMed

    Milutinović, Milan M; Bogojeski, Jovana V; Klisurić, Olivera; Scheurer, Andreas; Elmroth, Sofi K C; Bugarčić, Živadin D

    2016-10-04

    A novel rhodium(iii) complex [Rh III (H 2 L tBu )Cl 3 ] (1) (H 2 L tBu = 2,6-bis(5-tert-butyl-1H-pyrazol-3-yl)pyridine) containing a pincer type, tridentate nitrogen-donor chelate system was synthesized. Single crystal X-ray structure analysis revealed that 1 crystallizes in the orthorhombic space group Pbcn with a = 20.7982(6), b = 10.8952(4), c = 10.9832(4) Å, V = 2488.80(15) Å 3 , and eight molecules in the unit cell. The rhodium center in the complex [Rh III (H 2 L tBu )Cl 3 ] (1) is coordinated in a slightly distorted octahedral geometry by the tridentate N,N,N-donor and three chloro ligands, adopting a mer arrangement with an essentially planar ligand skeleton. Due to the tridentate coordination of the N,N,N-donor, the central nitrogen atom N1 is located closer to the Rh III center. The reactivity of the synthesized complex toward small biomolecules (l-methionine (l-Met), guanosine-5'-monophosphate (5'-GMP), l-histidine (l-His) and glutathione (GSH)) and to a series of duplex DNAs and RNA was investigated. The order of reactivity of the studied small biomolecules is: 5'-GMP > GSH > l-Met > l-His. Duplex RNA reacts faster with the [Rh III (H 2 L tBu )Cl 3 ] complex than duplex DNA, while shorter duplex DNA (15mer GG) reacts faster compared with 22mer GG duplex DNA. In addition, a higher reactivity is achieved with a DNA duplex with a centrally located GG-sequence than with a 22GTG duplex DNA, in which the GG-sequence is separated by a T base. Furthermore, the interaction of this metal complex 1 with calf thymus DNA (CT-DNA) and bovine serum albumin (BSA) was examined by absorption (UV-Vis) and emission spectral studies (EthBr displacement studies). Overall, the studied complex exhibited good DNA and BSA interaction ability.

  14. Reverse osmosis membrane composition, structure and performance modification by bisulphite, iron(III), bromide and chlorite exposure.

    PubMed

    Ferrer, O; Gibert, O; Cortina, J L

    2016-10-15

    Reverse osmosis (RO) membrane exposure to bisulphite, chlorite, bromide and iron(III) was assessed in terms of membrane composition, structure and performance. Membrane composition was determined by Rutherford backscattering spectrometry (RBS) and membrane performance was assessed by water and chloride permeation, using a modified version of the solution-diffusion model. Iron(III) dosage in presence of bisulphite led to an autooxidation of the latter, probably generating free radicals which damaged the membrane. It comprised a significant raise in chloride passage (chloride permeation coefficient increased 5.3-5.1 fold compared to the virgin membrane under the conditions studied) rapidly. No major differences in terms of water permeability and membrane composition were observed. Nevertheless, an increase in the size of the network pores, and a raise in the fraction of aggregate pores of the polyamide (PA) layer were identified, but no amide bond cleavage was observed. These structural changes were therefore, in accordance with the transport properties observed. Copyright © 2016 Elsevier Ltd. All rights reserved.

  15. PIV measurements of in-cylinder, large-scale structures in a water-analogue Diesel engine

    NASA Astrophysics Data System (ADS)

    Kalpakli Vester, A.; Nishio, Y.; Alfredsson, P. H.

    2016-11-01

    Swirl and tumble are large-scale structures that develop in an engine cylinder during the intake stroke. Their structure and strength depend on the design of the inlet ports and valves, but also on the valve lift history. Engine manufacturers make their design to obtain a specific flow structure that is assumed to give the best engine performance. Despite many efforts, there are still open questions, such as how swirl and tumble depend on the dynamics of the valves/piston as well as how cycle-to-cycle variations should be minimized. In collaboration with Swedish vehicle industry we perform PIV measurements of the flow dynamics during the intake stroke inside a cylinder of a water-analogue engine model having the same geometrical characteristics as a typical truck Diesel engine. Water can be used since during the intake stroke the flow is nearly incompressible. The flow from the valves moves radially outwards, hits the vertical walls of the cylinder, entrains surrounding fluid, moves along the cylinder walls and creates a central backflow, i.e. a tumble motion. Depending on the port and valve design and orientation none, low, or high swirl can be established. For the first time, the effect of the dynamic motion of the piston/valves on the large-scale structures is captured. Supported by the Swedish Energy Agency, Scania CV AB and Volvo GTT, through the FFI program.

  16. A Real-Time All-Atom Structural Search Engine for Proteins

    PubMed Central

    Gonzalez, Gabriel; Hannigan, Brett; DeGrado, William F.

    2014-01-01

    Protein designers use a wide variety of software tools for de novo design, yet their repertoire still lacks a fast and interactive all-atom search engine. To solve this, we have built the Suns program: a real-time, atomic search engine integrated into the PyMOL molecular visualization system. Users build atomic-level structural search queries within PyMOL and receive a stream of search results aligned to their query within a few seconds. This instant feedback cycle enables a new “designability”-inspired approach to protein design where the designer searches for and interactively incorporates native-like fragments from proven protein structures. We demonstrate the use of Suns to interactively build protein motifs, tertiary interactions, and to identify scaffolds compatible with hot-spot residues. The official web site and installer are located at http://www.degradolab.org/suns/ and the source code is hosted at https://github.com/godotgildor/Suns (PyMOL plugin, BSD license), https://github.com/Gabriel439/suns-cmd (command line client, BSD license), and https://github.com/Gabriel439/suns-search (search engine server, GPLv2 license). PMID:25079944

  17. 40 CFR Appendix III to Part 600 - Sample Fuel Economy Label Calculation

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... miles per gallon. Note that the car line of the test vehicle using a given engine makes no difference... engine. These four car lines are: Ajax Boredom III Dodo Castor (Station Wagon) A. A car line is defined... different car line than the normal Castor car line made up of sedans, coupes, etc. B. The engine considered...

  18. 40 CFR Appendix III to Part 600 - Sample Fuel Economy Label Calculation

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... miles per gallon. Note that the car line of the test vehicle using a given engine makes no difference... engine. These four car lines are: Ajax Boredom III Dodo Castor (Station Wagon) A. A car line is defined... different car line than the normal Castor car line made up of sedans, coupes, etc. B. The engine considered...

  19. 40 CFR Appendix III to Part 600 - Sample Fuel Economy Label Calculation

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... miles per gallon. Note that the car line of the test vehicle using a given engine makes no difference... engine. These four car lines are: Ajax Boredom III Dodo Castor (Station Wagon) A. A car line is defined... different car line than the normal Castor car line made up of sedans, coupes, etc. B. The engine considered...

  20. 40 CFR Appendix III to Part 600 - Sample Fuel Economy Label Calculation

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... miles per gallon. Note that the car line of the test vehicle using a given engine makes no difference... engine. These four car lines are: Ajax Boredom III Dodo Castor (Station Wagon) A. A car line is defined... different car line than the normal Castor car line made up of sedans, coupes, etc. B. The engine considered...

  1. Improved structural integrity through advances in reliable residual stress measurement: the impact of ENGIN-X

    NASA Astrophysics Data System (ADS)

    Edwards, L.; Santisteban, J. R.

    The determination of accurate reliable residual stresses is critical to many fields of structural integrity. Neutron stress measurement is a non-destructive technique that uniquely provides insights into stress fields deep within engineering components and structures. As such, it has become an increasingly important tool within engineering, leading to improved manufacturing processes to reduce stress and distortion as well as to the definition of more precise lifing procedures. This paper describes the likely impact of the next generation of dedicated engineering stress diffractometers currently being constructed and the utility of the technique using examples of residual stresses both beneficial and detrimental to structural integrity.

  2. Interdisciplinary and multilevel optimum design. [in aerospace structural engineering

    NASA Technical Reports Server (NTRS)

    Sobieszczanski-Sobieski, Jaroslaw; Haftka, Raphael T.

    1987-01-01

    Interactions among engineering disciplines and subsystems in engineering system design are surveyed and specific instances of such interactions are described. Examination of the interactions that a traditional design process in which the numerical values of major design variables are decided consecutively is likely to lead to a suboptimal design. Supporting numerical examples are a glider and a space antenna. Under an alternative approach introduced, the design and its sensitivity data from the subsystems and disciplines are generated concurrently and then made available to the system designer enabling him to modify the system design so as to improve its performance. Examples of a framework structure and an airliner wing illustrate that approach.

  3. Structural comparative studies on new Mn(II), Cr(III) and Ru(III) complexes derived from 2,4,6-tri-(2-pyridyl)-1,3,5-triazine (TPTZ).

    PubMed

    Al-Assy, Waleed H; El-Askalany, Abdel Moneum H; Mostafa, Mohsen M

    2013-12-01

    The structure of a new Mn(II) complex, [Mn(TPTZ)Cl2(H2O)]⋅H2O, was established by a single crystal X-ray diffraction. Crystal data are as follow: monoclinic, P21/c,a = 8.7202 (3)Å, b = 11.5712 (4)Å, c = 20.8675 (9)Å, β=11 (18) × 1010, V = 2029.27 (13)Å(3), Z = 4. The HOMO, LUMO and other DFT parameters on the atoms have been calculated to confirm the geometry of the ligand and its complexes using material studio program. The complexes were characterized by elemental analyses, spectral, magnetic, thermal and cyclic voltammetry measurements. Electronic spectra and magnetic moments of the complexes suggest distorted-octahedral structures around the metal ions (Mn(II), Cr(III) and Ru(III)). The redox properties were investigated by cyclic voltammetry. Kinetic parameters were determined using Coats-Redfern and Horowitz-Metzger methods. The results of DNA studies of the metal complexes promised to be effective in tumour treatment. Copyright © 2013 Elsevier B.V. All rights reserved.

  4. Accurate determination of interfacial protein secondary structure by combining interfacial-sensitive amide I and amide III spectral signals.

    PubMed

    Ye, Shuji; Li, Hongchun; Yang, Weilai; Luo, Yi

    2014-01-29

    Accurate determination of protein structures at the interface is essential to understand the nature of interfacial protein interactions, but it can only be done with a few, very limited experimental methods. Here, we demonstrate for the first time that sum frequency generation vibrational spectroscopy can unambiguously differentiate the interfacial protein secondary structures by combining surface-sensitive amide I and amide III spectral signals. This combination offers a powerful tool to directly distinguish random-coil (disordered) and α-helical structures in proteins. From a systematic study on the interactions between several antimicrobial peptides (including LKα14, mastoparan X, cecropin P1, melittin, and pardaxin) and lipid bilayers, it is found that the spectral profiles of the random-coil and α-helical structures are well separated in the amide III spectra, appearing below and above 1260 cm(-1), respectively. For the peptides with a straight backbone chain, the strength ratio for the peaks of the random-coil and α-helical structures shows a distinct linear relationship with the fraction of the disordered structure deduced from independent NMR experiments reported in the literature. It is revealed that increasing the fraction of negatively charged lipids can induce a conformational change of pardaxin from random-coil to α-helical structures. This experimental protocol can be employed for determining the interfacial protein secondary structures and dynamics in situ and in real time without extraneous labels.

  5. Thermal-structural analyses of Space Shuttle Main Engine (SSME) hot section components

    NASA Technical Reports Server (NTRS)

    Abdul-Aziz, Ali; Thompson, Robert L.

    1988-01-01

    Three dimensional nonlinear finite element heat transfer and structural analyses were performed for the first stage high pressure fuel turbopump (HPFTP) blade of the space shuttle main engine (SSME). Directionally solidified (DS) MAR-M 246 and single crystal (SC) PWA-1480 material properties were used for the analyses. Analytical conditions were based on a typical test stand engine cycle. Blade temperature and stress strain histories were calculated by using the MARC finite element computer code. The structural response of an SSME turbine blade was assessed and a greater understanding of blade damage mechanisms, convective cooling effects, and thermal mechanical effects was gained.

  6. Structural integrity and containment aspects of small gas turbine engines

    NASA Astrophysics Data System (ADS)

    Gupta, S. S.; Gomuc, R.

    1994-03-01

    Structural integrity of rotating components in gas turbine engines is very crucial since their failure implies high impact energy, which, if uncontained, could mean damage to aircraft structures, controls, and so forth, and, in the worst scenario, even loss of lives. This final consequence has led to very stringent airworthiness regulations for engine/aircraft certifications. This paper discusses the historical statistics of noncontainment events in turbofans, turboprops, and turboshafts and shows how the damage severity varies between different applications and how changes to regulations are continuing in order to improve the reliability of aircraft/rotorcraft. The paper also presents design challenges resulting from the analysis complexity of containment/noncontainment event and the way Pratt & Whitney Canada design/analysis/test system caters to all the requirements. The weight and cost impact of possible changes to current regulations are also presented.

  7. Structural Characterization of Poorly-Crystalline Scorodite, Iron (III)-arsenate Co-precipitates and Uranium Millneutralized Raffinate Solids using X-ray Absorption Fine Structure Spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chen, N.; Jiang, D; Cutler, J

    X-ray absorption fine structure (XAFS) is used to characterize the mineralogy of the iron(III)-arsenate(V) precipitates produced during the raffinate (aqueous effluent) neutralization process at the McClean Lake uranium mill in northern Saskatchewan, Canada. To facilitate the structural characterization of the precipitated solids derived from the neutralized raffinate, a set of reference compounds were synthesized and analyzed. The reference compounds include crystalline scorodite, poorly-crystalline scorodite, iron(III)-arsenate co-precipitates obtained under different pH conditions, and arsenate-adsorbed on goethite. The poorly-crystalline scorodite (prepared at pH 4 with Fe/As = 1) has similar As local structure as that of crystalline scorodite. Both As and Femore » K-edge XAFS of poorly-crystalline scorodite yield consistent results on As-Fe (or Fe-As) shell. From As K-edge analysis the As-Fe shell has an inter-atomic distance of 3.33 {+-} 0.02 A and coordination number of 3.2; while from Fe K-edge analysis the Fe-As distance and coordination number are 3.31 {+-} 0.02 A and 3.8, respectively. These are in contrast with the typical arsenate adsorption on bidentate binuclear sites on goethite surfaces, where the As-Fe distance is 3.26 {+-} 0.03 A and coordination number is close to 2. A similar local structure identified in the poorly-crystalline scorodite is also found in co-precipitation solids (Fe(III)/As(V) = 3) when precipitated at the same pH (pH = 4): As-Fe distance 3.30 {+-} 0.03 A and coordination number 3.9; while at pH = 8 the co-precipitate has As-Fe distance of 3.27 {+-} 0.03 A and coordination number about 2, resembling more closely the adsorption case. The As local structure in the two neutralized raffinate solid series (precipitated at pH values up to 7) closely resembles that in the poorly-crystalline scorodite. All of the raffinate solids have the same As-Fe inter-atomic distance as that in the poorly-crystalline scorodite, and a systematic

  8. Bandgap Engineering of Lead-Free Double Perovskite Cs2 AgBiBr6 through Trivalent Metal Alloying.

    PubMed

    Du, Ke-Zhao; Meng, Weiwei; Wang, Xiaoming; Yan, Yanfa; Mitzi, David B

    2017-07-03

    The double perovskite family, A 2 M I M III X 6 , is a promising route to overcome the lead toxicity issue confronting the current photovoltaic (PV) standout, CH 3 NH 3 PbI 3 . Given the generally large indirect band gap within most known double perovskites, band-gap engineering provides an important approach for targeting outstanding PV performance within this family. Using Cs 2 AgBiBr 6 as host, band-gap engineering through alloying of In III /Sb III has been demonstrated in the current work. Cs 2 Ag(Bi 1-x M x )Br 6 (M=In, Sb) accommodates up to 75 % In III with increased band gap, and up to 37.5 % Sb III with reduced band gap; that is, enabling ca. 0.41 eV band gap modulation through introduction of the two metals, with smallest value of 1.86 eV for Cs 2 Ag(Bi 0.625 Sb 0.375 )Br 6 . Band structure calculations indicate that opposite band gap shift directions associated with Sb/In substitution arise from different atomic configurations for these atoms. Associated photoluminescence and environmental stability of the three-metal systems are also assessed. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  9. Two-dimensional 3d-4f heterometallic coordination polymers: syntheses, crystal structures, and magnetic properties of six new Co(II)-Ln(III) compounds.

    PubMed

    Díaz-Gallifa, Pau; Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina

    2014-06-16

    Six new heterometallic cobalt(II)-lanthanide(III) complexes of formulas [Ln(bta)(H2O)2]2[Co(H2O)6]·10H2O [Ln = Nd(III) (1) and Eu(III) (2)] and [Ln2Co(bta)2(H2O)8]n·6nH2O [Ln = Eu(III) (3), Sm(III) (4), Gd(III) (5), and Tb(III) (6)] (H4bta = 1,2,4,5-benzenetretracaboxylic acid) have been synthesized and characterized via single-crystal X-ray diffraction. 1 and 2 are isostructural compounds with a structure composed of anionic layers of [Ln(bta)(H2O)2]n(n-) sandwiching mononuclear [Co(H2O)6](2+) cations plus crystallization water molecules, which are interlinked by electrostatic forces and hydrogen bonds, leading to a supramolecular three-dimensional network. 3-6 are also isostructural compounds, and their structure consists of neutral layers of formula [Ln2Co(bta)2(H2O)8]n and crystallization water molecules, which are connected through hydrogen bonds to afford a supramolecular three-dimensional network. Heterometallic chains formed by the regular alternation of two nine-coordinate lanthanide(III) polyhedra [Ln(III)O9] and one compressed cobalt(II) octahedron [Co(II)O6] along the crystallographic c-axis are cross-linked by bta ligands within each layer of 3-6. Magnetic susceptibility measurements on polycrystalline samples for 3-6 have been carried out in the temperature range of 2.0-300 K. The magnetic behavior of these types of Ln(III)-Co(II) complexes, which have been modeled by using matrix dagonalization techniques, reveals the lack of magnetic coupling for 3 and 4, and the occurrence of weak antiferromagnetic interactions within the Gd(III)-Gd(III) (5) and Tb(III)-Tb(III) (6) dinuclear units through the exchange pathway provided by the double oxo(carboxylate) and double syn-syn carboxylate bridges.

  10. Flight Investigation of the Cooling Characteristics of a Two-row Radial Engine Installation III : Engine Temperature Distribution

    NASA Technical Reports Server (NTRS)

    Rennak, Robert M; Messing, Wesley E; Morgan, James E

    1946-01-01

    The temperature distribution of a two-row radial engine in a twin-engine airplane has been investigated in a series of flight tests. The test engine was operated over a wide range of conditions at density altitudes of 5000 and 20,000 feet; quantitative results are presented showing the effects of flight and engine variables upon average engine temperature and over-all temperature spread. Discussions of the effect of the variables on the shape of the temperature patterns and on the temperature distribution of individual cylinders are also included. The results indicate that, for the tests conducted, the temperature distribution patterns were chiefly determined by the fuel-air ratio and cooling-air distributions. It was possible to calculate individual cylinder temperature, on the assumption of equal power distribution among cylinders, to within an average of plus or minus 14 degrees F. of the actual temperature. A considerable change occurred in either the spread or the thrust axis, the average engine fuel-air ratio, the engine speed, the power, or the blower ratio. Smaller effects on the temperature pattern were noticed with a change in cowl-flap opening and altitude. In most of the tests, a change in conditions affected the temperature of the barrels less than that of the heads. The variation of flight and engine variables had a negligible effect on the temperature distributions of the individual cylinders. (author)

  11. From Structure-Function Analyses to Protein Engineering for Practical Applications of DNA Ligase

    PubMed Central

    Tanabe, Maiko; Nishida, Hirokazu

    2015-01-01

    DNA ligases are indispensable in all living cells and ubiquitous in all organs. DNA ligases are broadly utilized in molecular biology research fields, such as genetic engineering and DNA sequencing technologies. Here we review the utilization of DNA ligases in a variety of in vitro gene manipulations, developed over the past several decades. During this period, fewer protein engineering attempts for DNA ligases have been made, as compared to those for DNA polymerases. We summarize the recent progress in the elucidation of the DNA ligation mechanisms obtained from the tertiary structures solved thus far, in each step of the ligation reaction scheme. We also present some examples of engineered DNA ligases, developed from the viewpoint of their three-dimensional structures. PMID:26508902

  12. Molecular structure of starches from maize mutants deficient in starch synthase III.

    PubMed

    Zhu, Fan; Bertoft, Eric; Källman, Anna; Myers, Alan M; Seetharaman, Koushik

    2013-10-16

    Molecular structures of starches from dull1 maize mutants deficient in starch synthase III (SSIII) with a common genetic background (W64A) were characterized and compared with the wild type. Amylose content with altered structure was higher in the nonwaxy mutants (25.4-30.2%) compared to the wild type maize (21.5%) as revealed by gel permeation chromatography. Superlong chains of the amylopectin component were found in all nonwaxy samples. Unit chain length distribution of amylopectins and their φ,β-limit dextrins (reflecting amylopectin internal structure) from dull1 mutants were also characterized by anion-exchange chromatography after debranching. Deficiency of SSIII led to an increased amount of short chains (DP ≤36 in amylopectin), whereas the content of long chains decreased from 8.4% to between 3.1 and 3.7% in both amylopectin and φ,β-limit dextrins. Moreover, both the external and internal chain lengths decreased, suggesting a difference in their cluster structures. Whereas the molar ratio of A:B-chains was similar in all samples (1.1-1.2), some ratios of chain categories were affected by the absence of SSIII, notably the ratio of "fingerprint" A-chains to "clustered" A-chains. This study highlighted the relationship between SSIII and the internal molecular structure of maize starch.

  13. Perspectives Of Employment Of Pultruded FRP Structural Elements In Seismic Engineering Field

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Russo, Salvatore; Silvestri, Mirko

    2008-07-08

    Today the employment of FRP material in structural engineering is in common use, with excellent results in term of applications especially as reinforcement of existing structures. This success is related to the very reduced weight of FRP material, to its performance in term of strength and durability and thanks to the easy use in technical application. There is a modern way to use this material disguised as structural pultruded element (with weight equal to 1600-1800 kg/m{sup 3}) in new constructions, local reinforcements and in other seismic applications. Actually the international technical and scientific literature in form of draft, recommendations andmore » researches on this topic is very rich also taking into account Italian contribution. Some interesting applications of all FRP structures in seismic engineering field are showed in this research in real terms and in form of capability.« less

  14. Divergent electronic structures of isoelectronic metalloclusters: tungsten(II) halides and rhenium(III) chalcogenide halides.

    PubMed

    Gray, Thomas G

    2009-03-02

    Same but different: DFT calculations on hexanuclear tungsten(II) halide clusters [W(6)X(8)X'(6)](2-) (X, X'=Cl, Br, I) indicate a breakdown in the isoelectronic analogy between themselves and the isostructural rhenium(III) chalcogenide clusters [Re(6)S(8)X(6)](4-) (see figure).The hexanuclear tungsten(II) halide clusters and the sulfido-halide clusters of rhenium(III) are subsets of a broad system of 24-electron metal-metal bonded assemblies that share a common structure. Tungsten(II) halide clusters and rhenium(III) sulfide clusters luminesce from triplet excited states upon ultraviolet or visible excitation; emission from both cluster series has been extensively characterized elsewhere. Reported here are density-functional theory studies of the nine permutations of [W(6)X(8)X'(6)](2-) (X, X'=Cl, Br, I). Ground-state properties including geometries, harmonic vibrational frequencies, and orbital energy-level diagrams, have been calculated. Comparison is made to the sulfide clusters of rhenium(III), of which [Re(6)S(8)Cl(6)](4-) is representative. [W(6)X(8)X'(6)](2-) and [Re(6)S(8)Cl(6)](4-) possess disparate electronic structures owing to the greater covalency of the metal-sulfur bond and hence of the [Re(6)S(8)](2+) core. Low-lying virtual orbitals are raised in energy in [Re(6)S(8)Cl(6)](4-) with the result that the LUMO+7 (or LUMO+8 in some cases) of tungsten(II) halide clusters is the LUMO of [Re(6)S(8)Cl(6)](4-) species. An inversion of the HOMO and HOMO-1 between the two cluster series also occurs. Time-dependent density-functional calculations using asymptotically correct functionals do not recapture the experimentally observed periodic trend in [W(6)X(14)](2-) luminescence (E(em) increasing in the order [W(6)Cl(14)](2-) < [W(6)Br(14)](2-) < [W(6)I(14)](2-)), predicting instead that emission energies decrease with incorporation of the heavier halides. This circumstance is either a gross failure of the time-dependent formalism of DFT or it indicates extensive

  15. Structure and membrane remodeling activity of ESCRT-III helical polymers

    PubMed Central

    McCullough, John; Clippinger, Amy K.; Talledge, Nathaniel; Skowyra, Michael L.; Saunders, Marissa G.; Naismith, Teresa V.; Colf, Leremy A.; Afonine, Pavel; Arthur, Christopher; Sundquist, Wesley I.; Hanson, Phyllis I.; Frost, Adam

    2015-01-01

    The Endosomal Sorting Complexes Required for Transport (ESCRT) proteins mediate fundamental membrane remodeling events that require stabilizing negative membrane curvature. These include endosomal intralumenal vesicle formation, HIV budding, nuclear envelope closure and cytokinetic abscission. ESCRT-III subunits perform key roles in these processes by changing conformation and polymerizing into membrane-remodeling filaments. Here, we report the 4 Å resolution cryo-EM reconstruction of a one-start, double-stranded helical copolymer composed of two different human ESCRT-III subunits, CHMP1B and IST1. The inner strand comprises “open” CHMP1B subunits that interlock in an elaborate domain-swapped architecture, and is encircled by an outer strand of “closed” IST1 subunits. Unlike other ESCRT-III proteins, CHMP1B and IST1 polymers form external coats on positively-curved membranes in vitro and in vivo. Our analysis suggests how common ESCRT-III filament architectures could stabilize different degrees and directions of membrane curvature. PMID:26634441

  16. Dipicolinate Complexes of Gallium(III) and Lanthanum(III).

    PubMed

    Weekes, David M; Ramogida, Caterina F; Jaraquemada-Peláez, Maria de Guadalupe; Patrick, Brian O; Apte, Chirag; Kostelnik, Thomas I; Cawthray, Jacqueline F; Murphy, Lisa; Orvig, Chris

    2016-12-19

    Three dipicolinic acid amine-derived compounds functionalized with a carboxylate (H 3 dpaa), phosphonate (H 4 dppa), and bisphosphonate (H 7 dpbpa), as well as their nonfunctionalized analogue (H 2 dpa), were successfully synthesized and characterized. The 1:1 lanthanum(III) complexes of H 2 dpa, H 3 dpaa, and H 4 dppa, the 1:2 lanthanum(III) complex of H 2 dpa, and the 1:1 gallium(III) complex of H 3 dpaa were characterized, including via X-ray crystallography for [La 4 (dppa) 4 (H 2 O) 2 ] and [Ga(dpaa)(H 2 O)]. H 2 dpa, H 3 dpaa, and H 4 dppa were evaluated for their thermodynamic stability with lanthanum(III) via potentiometric and either UV-vis spectrophotometric (H 3 dpaa) or NMR spectrometric (H 2 dpa and H 4 dppa) titrations, which showed that the carboxylate (H 3 dpaa) and phosphonate (H 4 dppa) containing ligands enhanced the lanthanum(III) complex stability by 3-4 orders of magnitude relative to the unfunctionalized ligand (comparing log β ML and pM values) at physiological pH. In addition, potentiometric titrations with H 3 dpaa and gallium(III) were performed, which gave significantly (8 orders of magnitude) higher thermodynamic stability constants than with lanthanum(III). This was predicted to be a consequence of better size matching between the dipicolinate cavity and gallium(III), which was also evident in the aforementioned crystal structures. Because of a potential link between lanthanum(III) and osteoporosis, the ligands were tested for their bone-directing properties via a hydroxyapatite (HAP) binding assay, which showed that either a phosphonate or bisphosphonate moiety was necessary in order to elicit a chemical binding interaction with HAP. The oral activity of the ligands and their metal complexes was also assessed by experimentally measuring log P o/w values using the shake-flask method, and these were compared to a currently prescribed osteoporosis drug (alendronate). Because of the potential therapeutic applications of the radionuclides

  17. Group-III elements under high pressure.

    NASA Astrophysics Data System (ADS)

    Simak, S. I.; Haussermann, U.; Ahuja, R.; Johansson, B.

    2000-03-01

    At ambient conditions the Group-III elements Ga and In attain unusual open ground-state crystal structures. Recent experiments have discovered that Ga under high pressure transforms into the face-centered (fcc) cubic close-packed structure, while such a transition for In has so far not been observed. We offer a simple explanation for such different behavior based on results from first principles calculations. We predict a so far undiscovered transition of In to the fcc structure at extreme pressures and show that the structure determining mechanism originates from the degree of s-p mixing of the valence orbitals. A unified bonding picture for the Group-III elements is discussed.

  18. Nanoporous Anodic Alumina Platforms: Engineered Surface Chemistry and Structure for Optical Sensing Applications

    PubMed Central

    Kumeria, Tushar; Santos, Abel; Losic, Dusan

    2014-01-01

    Electrochemical anodization of pure aluminum enables the growth of highly ordered nanoporous anodic alumina (NAA) structures. This has made NAA one of the most popular nanomaterials with applications including molecular separation, catalysis, photonics, optoelectronics, sensing, drug delivery, and template synthesis. Over the past decades, the ability to engineer the structure and surface chemistry of NAA and its optical properties has led to the establishment of distinctive photonic structures that can be explored for developing low-cost, portable, rapid-response and highly sensitive sensing devices in combination with surface plasmon resonance (SPR) and reflective interference spectroscopy (RIfS) techniques. This review article highlights the recent advances on fabrication, surface modification and structural engineering of NAA and its application and performance as a platform for SPR- and RIfS-based sensing and biosensing devices. PMID:25004150

  19. Quantum chemical study of arsenic (III, V) adsorption on Mn-oxides: implications for arsenic(III) oxidation.

    PubMed

    Zhu, Mengqiang; Paul, Kristian W; Kubicki, James D; Sparks, Donald L

    2009-09-01

    Density functional theory (DFT) calculations were used to investigate As(V) and As(III) surface complex structures and reaction energies on both Mn(III) and Mn(IV) sites in an attempt to better understand As(III) oxidation bybirnessite, a layered Mn-dioxide mineral. Edge-sharing dioctahedral Mn(III) and Mn(IV) clusters with different combinations of surface functional groups (>MnOH and >MnOH2) were employed to mimic pH variability. Results show that As(V) adsorption was more thermodynamically favorable than As(III) adsorption on both Mn(III) and Mn(IV) surface sites under simulated acidic pH conditions. Therefore, we propose that As(V) adsorption inhibits As(III) oxidation by blocking adsorption sites. Under simulated acidic pH conditions, Mn(IV) sites exhibited stronger adsorption affinity than Mn(III) sites for both As(III) and As(V). Overall, we hypothesize that Mn(III) sites are less reactive in terms of As(III) oxidation due to their lower affinity for As(III) adsorption, higher potential to be blocked by As(V) complexes, and slower electron transfer rates with adsorbed As(III). Results from this study offer an explanation regarding the experimental observations of Mn(III) accumulation on birnessite and the long residence time of As(III) adsorption complexes on manganite (r-MnOOH) during As(III) oxidation.

  20. Structural validity of the Dutch-language version of the WAIS-III in a psychiatric sample.

    PubMed

    van der Heijden, Paul; van den Bos, Pancras; Mol, Bart; Kessels, Roy P C

    2013-01-01

    The Wechsler Adult Intelligence Scale-Fourth Edition (WAIS-IV; Wechsler, 2008 ) no longer provides the "traditional" Verbal IQ and Performance IQ deviation scores. In the current study, we investigated the structural validity of these scores in the scale's predecessor, the WAIS-Third Edition (WAIS-III; Wechsler, 1997c ), which is still widely used in clinical practice, especially outside the United States. Confirmative (CFA) and exploratory factor analyses (EFA) were performed on WAIS-III data from a Dutch sample of 247 psychiatric patients. Four competing models were tested in the CFA on 11 subtests. The model that fit the data best was a model in which subtests loaded on the four factor indexes (i.e., 3 Verbal Comprehension subtests, 3 Perceptual Organization subtests, 3 Working Memory subtests, and 2 Processing Speed subtests) as proposed by the manual (Wechsler, 1997b ). In the EFA on 13 subtests with four factors extracted, all subtests were found to load on the factors in accordance with the WAIS-III test manual. However, Picture Arrangement, Arithmetic, and Picture Completion showed only moderate loadings on the proposed factors. Implications for clinical practice are discussed.

  1. Subunit III-depleted cytochrome c oxidase provides insight into the process of proton uptake by proteins

    PubMed Central

    Varanasi, Lakshman; Hosler, Jonathan P.

    2011-01-01

    We review studies of subunit III-depleted cytochrome c oxidase (CcO III (−)) that elucidate the structural basis of steady-state proton uptake from solvent into an internal proton transfer pathway. The removal of subunit III from R. sphaeroides CcO makes proton uptake into the D pathway a rate-determining step, such that measurements of the pH dependence of steady-state O2 consumption can be used to compare the rate and functional pKa of proton uptake by D pathways containing different initial proton acceptors. The removal of subunit III also promotes spontaneous suicide inactivation by CcO, greatly shortening its catalytic lifespan. Because the probability of suicide inactivation is controlled by the rate at which the D pathway delivers protons to the active site, measurements of catalytic lifespan provide a second method to compare the relative efficacy of proton uptake by engineered CcO III (−) forms. These simple experimental systems have been used to explore general questions of proton uptake by proteins, such as the functional value of an initial proton acceptor, whether an initial acceptor must be surface-exposed, which side chains will function as initial proton acceptors and whether multiple acceptors can speed proton uptake. PMID:22023935

  2. Synthesis, characterization, and chiral properties of CoIII2AgI3 pentanuclear, CoIII4ZnII4 octanuclear, and CoIII mononuclear complexes with aza-capped hexadentate-N3S3 thiolate ligands: crystal structures of.

    PubMed

    Tokuda, K; Okamoto, K; Konno, T

    2000-01-24

    The reaction of an S-bridged Co2(III)Ag3(I) pentanuclear complex, [Ag3[Co(aet)3]2][BF4]3 (aet = NH2CH2CH2S-), with paraformaldehyde in basic acetonitrile, followed by adding aqueous ammonia, produced an aza-capped Co2(III)-Ag3(I) complex, [Ag3[Co(L)]2]3+ ([1]3+) (L = N(CH2NHCH2CH2S-)3). The crystal structure of [1]3+ was determined by X-ray crystallography. [1][PF6]3 x H2O, empirical formula C18H44Ag3Co2F18N8OP3S6, crystallizes in the tetragonal space group 142m with a = 13.012(1) A, c = 24.707(2) A, and Z = 4. In [1]3+ the two aza-capped [Co(L)] units are linked by three Ag(I) atoms, such that the two Co(III) atoms are encapsulated in a macrobicyclic metallocage, [Ag3(I)(L)2]3-. [1]3+ was converted to an aza-capped Co4(III)Zn4(II) octanuclear complex, [Zn4O[Co(L)]4]6+ ([2]6+), by reaction with I- in the presence of Zn2+ and ZnO in water. The crystal structure of [2]6+ was also determined by X-ray crystallography. [2][PF6]6 x 8H2O, empirical formula C36H100Co4F36N16O9P6S12Zn4, crystallizes in the monoclinic space group P2(1/n) with a = 14.33(7) A, b = 25.67(10) A, c = 24.83(6) A, beta = 101.3(3) degrees , and Z = 4. In [2]6+ each of four [Co(L)] units is bound to each trigonal Zn3(II) face of the tetrahedral [Zn4(II)O]6+ core, such that each Co(III) atom is encapsulated in a macrobicyclic [Zn4(II)O(L)] fragment. Treatment of [2]6+ with a basic aqueous solution resulted in a cleavage of the Zn-S bonds to produce an aza-capped Co(III) mononuclear complex, [Co(L)] ([3]), from which [1]3+ is readily reproduced by the reaction with Ag+ in water. All the reactions were found to proceed with retention of the absolute configuration (delta or lambda) of the Co(III) chiral centers; deltadelta-[1]3+, deltadeltadeltadelta-[2]6+, and A-[3] were derived from deltadelta-[Ag3[Co(aet)3]2]3+. The contributions to circular dichroism (CD) from the triple helicity in [1]3+, besides from the asymmetric N and S donor atoms and the Co(III) chiral centers in [1]3+ and [2]6+, were estimated

  3. Thermal/Structural Tailoring of Engine Blades (T/STAEBL) User's manual

    NASA Technical Reports Server (NTRS)

    Brown, K. W.

    1994-01-01

    The Thermal/Structural Tailoring of Engine Blades (T/STAEBL) system is a computer code that is able to perform numerical optimizations of cooled jet engine turbine blades and vanes. These optimizations seek an airfoil design of minimum operating cost that satisfies realistic design constraints. This report documents the organization of the T/STAEBL computer program, its design and analysis procedure, its optimization procedure, and provides an overview of the input required to run the program, as well as the computer resources required for its effective use. Additionally, usage of the program is demonstrated through a validation test case.

  4. Thermal/Structural Tailoring of Engine Blades (T/STAEBL): User's manual

    NASA Astrophysics Data System (ADS)

    Brown, K. W.

    1994-03-01

    The Thermal/Structural Tailoring of Engine Blades (T/STAEBL) system is a computer code that is able to perform numerical optimizations of cooled jet engine turbine blades and vanes. These optimizations seek an airfoil design of minimum operating cost that satisfies realistic design constraints. This report documents the organization of the T/STAEBL computer program, its design and analysis procedure, its optimization procedure, and provides an overview of the input required to run the program, as well as the computer resources required for its effective use. Additionally, usage of the program is demonstrated through a validation test case.

  5. Sparkle model for the calculation of lanthanide complexes: AM1 parameters for Eu(III), Gd(III), and Tb(III).

    PubMed

    Freire, Ricardo O; Rocha, Gerd B; Simas, Alfredo M

    2005-05-02

    Our previously defined Sparkle model (Inorg. Chem. 2004, 43, 2346) has been reparameterized for Eu(III) as well as newly parameterized for Gd(III) and Tb(III). The parameterizations have been carried out in a much more extensive manner, aimed at producing a new, more accurate model called Sparkle/AM1, mainly for the vast majority of all Eu(III), Gd(III), and Tb(III) complexes, which possess oxygen or nitrogen as coordinating atoms. All such complexes, which comprise 80% of all geometries present in the Cambridge Structural Database for each of the three ions, were classified into seven groups. These were regarded as a "basis" of chemical ambiance around a lanthanide, which could span the various types of ligand environments the lanthanide ion could be subjected to in any arbitrary complex where the lanthanide ion is coordinated to nitrogen or oxygen atoms. From these seven groups, 15 complexes were selected, which were defined as the parameterization set and then were used with a numerical multidimensional nonlinear optimization to find the best parameter set for reproducing chemical properties. The new parameterizations yielded an unsigned mean error for all interatomic distances between the Eu(III) ion and the ligand atoms of the first sphere of coordination (for the 96 complexes considered in the present paper) of 0.09 A, an improvement over the value of 0.28 A for the previous model and the value of 0.68 A for the first model (Chem. Phys. Lett. 1994, 227, 349). Similar accuracies have been achieved for Gd(III) (0.07 A, 70 complexes) and Tb(III) (0.07 A, 42 complexes). Qualitative improvements have been obtained as well; nitrates now coordinate correctly as bidentate ligands. The results, therefore, indicate that Eu(III), Gd(III), and Tb(III) Sparkle/AM1 calculations possess geometry prediction accuracies for lanthanide complexes with oxygen or nitrogen atoms in the coordination polyhedron that are competitive with present day ab initio/effective core potential

  6. The crystal structure of Pseudomonas aeruginosa exotoxin domain III with nicotinamide and AMP: conformational differences with the intact exotoxin.

    PubMed Central

    Li, M; Dyda, F; Benhar, I; Pastan, I; Davies, D R

    1995-01-01

    Domain III of Pseudomonas aeruginosa exotoxin A catalyses the transfer of ADP-ribose from NAD to a modified histidine residue of elongation factor 2 in eukaryotic cells, thus inactivating elongation factor 2. This domain III is inactive in the intact toxin but is active in the isolated form. We report here the 2.5-A crystal structure of this isolated domain crystallized in the presence of NAD and compare it with the corresponding structure in the intact Pseudomonas aeruginosa exotoxin A. We observe a significant conformational difference in the active site region from Arg-458 to Asp-463. Contacts with part of domain II in the intact toxin prevent the adoption of the isolated domain conformation and provide a structural explanation for the observed inactivity. Additional electron density in the active site region corresponds to separate AMP and nicotinamide and indicates that the NAD has been hydrolyzed. The structure has been compared with the catalytic domain of the diphtheria toxin, which was crystallized with ApUp. Images Fig. 1 PMID:7568123

  7. Structure and membrane remodeling activity of ESCRT-III helical polymers

    DOE PAGES

    McCullough, John; Clippinger, Amy K.; Talledge, Nathaniel; ...

    2015-12-18

    The endosomal sorting complexes required for transport (ESCRT) proteins mediate fundamental membrane remodeling events that require stabilizing negative membrane curvature. These include endosomal intralumenal vesicle formation, HIV budding, nuclear envelope closure, and cytokinetic abscission. ESCRT-III subunits perform key roles in these processes by changing conformation and polymerizing into membrane-remodeling filaments. Here, we report the 4 angstrom resolution cryogenic electron microscopy reconstruction of a one-start, double-stranded helical copolymer composed of two different human ESCRT-III subunits, charged multivesicular body protein 1B (CHMP1B) and increased sodium tolerance 1 (IST1). The inner strand comprises “open” CHMP1B subunits that interlock in an elaborate domain-swapped architecturemore » and is encircled by an outer strand of “closed” IST1 subunits. Unlike other ESCRT-III proteins, CHMP1B and IST1 polymers form external coats on positively curved membranes in vitro and in vivo. In conclusion, our analysis suggests how common ESCRT-III filament architectures could stabilize different degrees and directions of membrane curvature.« less

  8. Structure and Management of an Engineering Senior Design Course.

    PubMed

    Tanaka, Martin L; Fischer, Kenneth J

    2016-07-01

    The design of products and processes is an important area in engineering. Students in engineering schools learn fundamental principles in their courses but often lack an opportunity to apply these methods to real-world problems until their senior year. This article describes important elements that should be incorporated into a senior capstone design course. It includes a description of the general principles used in engineering design and a discussion of why students often have difficulty with application and revert to trial and error methods. The structure of a properly designed capstone course is dissected and its individual components are evaluated. Major components include assessing resources, identifying projects, establishing teams, understanding requirements, developing conceptual designs, creating detailed designs, building prototypes, testing performance, and final presentations. In addition to the course design, team management and effective mentoring are critical to success. This article includes suggested guidelines and tips for effective design team leadership, attention to detail, investment of time, and managing project scope. Furthermore, the importance of understanding business culture, displaying professionalism, and considerations of different types of senior projects is discussed. Through a well-designed course and proper mentoring, students will learn to apply their engineering skills and gain basic business knowledge that will prepare them for entry-level positions in industry.

  9. 14 CFR 27.903 - Engines.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... usage. (b) Engine or drive system cooling fan blade protection. (1) If an engine or rotor drive system... fan blade fails. This must be shown by showing that— (i) The fan blades are contained in case of failure; (ii) Each fan is located so that a failure will not jeopardize safety; or (iii) Each fan blade...

  10. 14 CFR 27.903 - Engines.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... usage. (b) Engine or drive system cooling fan blade protection. (1) If an engine or rotor drive system... fan blade fails. This must be shown by showing that— (i) The fan blades are contained in case of failure; (ii) Each fan is located so that a failure will not jeopardize safety; or (iii) Each fan blade...

  11. 14 CFR 27.903 - Engines.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... usage. (b) Engine or drive system cooling fan blade protection. (1) If an engine or rotor drive system... fan blade fails. This must be shown by showing that— (i) The fan blades are contained in case of failure; (ii) Each fan is located so that a failure will not jeopardize safety; or (iii) Each fan blade...

  12. 14 CFR 27.903 - Engines.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... usage. (b) Engine or drive system cooling fan blade protection. (1) If an engine or rotor drive system... fan blade fails. This must be shown by showing that— (i) The fan blades are contained in case of failure; (ii) Each fan is located so that a failure will not jeopardize safety; or (iii) Each fan blade...

  13. 14 CFR 27.903 - Engines.

    Code of Federal Regulations, 2013 CFR

    2013-01-01

    ... usage. (b) Engine or drive system cooling fan blade protection. (1) If an engine or rotor drive system... fan blade fails. This must be shown by showing that— (i) The fan blades are contained in case of failure; (ii) Each fan is located so that a failure will not jeopardize safety; or (iii) Each fan blade...

  14. Laser Scanning in Engineering Surveying: Methods of Measurement and Modeling of Structures

    NASA Astrophysics Data System (ADS)

    Lenda, Grzegorz; Uznański, Andrzej; Strach, Michał; Lewińska, Paulina

    2016-06-01

    The study is devoted to the uses of laser scanning in the field of engineering surveying. It is currently one of the main trends of research which is developed at the Department of Engineering Surveying and Civil Engineering at the Faculty of Mining Surveying and Environmental Engineering of AGH University of Science and Technology in Krakow. They mainly relate to the issues associated with tower and shell structures, infrastructure of rail routes, or development of digital elevation models for a wide range of applications. These issues often require the use of a variety of scanning techniques (stationary, mobile), but the differences also regard the planning of measurement stations and methods of merging point clouds. Significant differences appear during the analysis of point clouds, especially when modeling objects. Analysis of the selected parameters is already possible basing on ad hoc measurements carried out on a point cloud. However, only the construction of three-dimensional models provides complete information about the shape of structures, allows to perform the analysis in any place and reduces the amount of the stored data. Some structures can be modeled in the form of simple axes, sections, or solids, for others it becomes necessary to create sophisticated models of surfaces, depicting local deformations. The examples selected for the study allow to assess the scope of measurement and office work for a variety of uses related to the issue set forth in the title of this study. Additionally, the latest, forward-looking technology was presented - laser scanning performed from Unmanned Aerial Vehicles (drones). Currently, it is basically in the prototype phase, but it might be expected to make a significant progress in numerous applications in the field of engineering surveying.

  15. From kinetic-structure analysis to engineering crystalline fiber networks in soft materials.

    PubMed

    Wang, Rong-Yao; Wang, Peng; Li, Jing-Liang; Yuan, Bing; Liu, Yu; Li, Li; Liu, Xiang-Yang

    2013-03-07

    Understanding the role of kinetics in fiber network microstructure formation is of considerable importance in engineering gel materials to achieve their optimized performances/functionalities. In this work, we present a new approach for kinetic-structure analysis for fibrous gel materials. In this method, kinetic data is acquired using a rheology technique and is analyzed in terms of an extended Dickinson model in which the scaling behaviors of dynamic rheological properties in the gelation process are taken into account. It enables us to extract the structural parameter, i.e. the fractal dimension, of a fibrous gel from the dynamic rheological measurement of the gelation process, and to establish the kinetic-structure relationship suitable for both dilute and concentrated gelling systems. In comparison to the fractal analysis method reported in a previous study, our method is advantageous due to its general validity for a wide range of fractal structures of fibrous gels, from a highly compact network of the spherulitic domains to an open fibrous network structure. With such a kinetic-structure analysis, we can gain a quantitative understanding of the role of kinetic control in engineering the microstructure of the fiber network in gel materials.

  16. Anti-EGFRvIII Chimeric Antigen Receptor-Modified T Cells for Adoptive Cell Therapy of Glioblastoma.

    PubMed

    Ren, Pei-Pei; Li, Ming; Li, Tian-Fang; Han, Shuang-Yin

    2017-01-01

    Glioblastoma (GBM) is one of the most devastating brain tumors with poor prognosis and high mortality. Although radical surgical treatment with subsequent radiation and chemotherapy can improve the survival, the efficacy of such regimens is insufficient because the GBM cells can spread and destroy normal brain structures. Moreover, these non-specific treatments may damage adjacent healthy brain tissue. It is thus imperative to develop novel therapies to precisely target invasive tumor cells without damaging normal tissues. Immunotherapy is a promising approach due to its capability to suppress the growth of various tumors in preclinical model and clinical trials. Adoptive cell therapy (ACT) using T cells engineered with chimeric antigen receptor (CAR) targeting an ideal molecular marker in GBM, e.g. epidermal growth factor receptor type III (EGFRvIII) has demonstrated a satisfactory efficacy in treating malignant brain tumors. Here we summarize the recent progresses in immunotherapeutic strategy using CAR-modified T cells oriented to EGFRvIII against GBM. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

  17. High temperature turbine engine structure

    DOEpatents

    Carruthers, William D.; Boyd, Gary L.

    1994-01-01

    A high temperature ceramic/metallic turbine engine includes a metallic housing which journals a rotor member of the turbine engine. A ceramic disk-like shroud portion of the engine is supported on the metallic housing portion and maintains a close running clearance with the rotor member. A ceramic spacer assembly maintains the close running clearance of the shroud portion and rotor member despite differential thermal movements between the shroud portion and metallic housing portion.

  18. High temperature turbine engine structure

    DOEpatents

    Carruthers, William D.; Boyd, Gary L.

    1992-01-01

    A high temperature ceramic/metallic turbine engine includes a metallic housing which journals a rotor member of the turbine engine. A ceramic disk-like shroud portion of the engine is supported on the metallic housing portion and maintains a close running clearance with the rotor member. A ceramic spacer assembly maintains the close running clearance of the shroud portion and rotor member despite differential thermal movements between the shroud portion and metallic housing portion.

  19. High temperature turbine engine structure

    DOEpatents

    Carruthers, William D.; Boyd, Gary L.

    1993-01-01

    A high temperature ceramic/metallic turbine engine includes a metallic housing which journals a rotor member of the turbine engine. A ceramic disk-like shroud portion of the engine is supported on the metallic housing portion and maintains a close running clearance with the rotor member. A ceramic spacer assembly maintains the close running clearance of the shroud portion and rotor member despite differential thermal movements between the shroud portion and metallic housing portion.

  20. Slave finite elements for nonlinear analysis of engine structures, volume 1

    NASA Technical Reports Server (NTRS)

    Gellin, S.

    1991-01-01

    A 336 degrees of freedom slave finite element processing capability to analyze engine structures under severe thermomechanical loading is presented. Description of the theoretical development and demonstration of that element is presented in this volume.

  1. Structurally compliant rocket engine combustion chamber: Experimental and analytical validation

    NASA Technical Reports Server (NTRS)

    Jankovsky, Robert S.; Arya, Vinod K.; Kazaroff, John M.; Halford, Gary R.

    1994-01-01

    A new, structurally compliant rocket engine combustion chamber design has been validated through analysis and experiment. Subscale, tubular channel chambers have been cyclically tested and analytically evaluated. Cyclic lives were determined to have a potential for 1000 percent increase over those of rectangular channel designs, the current state of the art. Greater structural compliance in the circumferential direction gave rise to lower thermal strains during hot firing, resulting in lower thermal strain ratcheting and longer predicted fatigue lives. Thermal, structural, and durability analyses of the combustion chamber design, involving cyclic temperatures, strains, and low-cycle fatigue lives, have corroborated the experimental observations.

  2. The effect of surface charge on the thermal stability and ice recrystallization inhibition activity of antifreeze protein III (AFP III).

    PubMed

    Deller, R C; Carter, B M; Zampetakis, I; Scarpa, F; Perriman, A W

    2018-01-01

    The aim of this study was to examine the effect of chemical cationization on the structure and function of antifreeze protein III (AFP III) over an extreme temperature range (-40°C to +90°C) using far-UV synchrotron radiation circular dichroism (SRCD) and ice recrystallization inhibition (IRI) assays. Chemical cationization was able to produce a modified AFP III with a net cationic charge at physiological pH that had enhanced resistance to denaturation at elevated temperatures, with no immediate negative impact on protein structure at subzero temperatures. Furthermore, cationized AFP III retained an IRI activity similar to that of native AFP III. Consequently, chemical cationization may provide a pathway to the development of more robust antifreeze proteins as supplementary cryoprotectants in the cryopreservation of clinically relevant cells. Copyright © 2017. Published by Elsevier Inc.

  3. Reliability of DSM-III anxiety disorder categories using a new structured interview.

    PubMed

    Di Nardo, P A; O'Brien, G T; Barlow, D H; Waddell, M T; Blanchard, E B

    1983-10-01

    The reliability of DSM-III anxiety disorder diagnoses was determined using a new structured interview, the Anxiety Disorders Interview Schedule (ADIS). Two interviewers examined 60 consecutive outpatients at an anxiety disorders clinic and assigned primary and secondary diagnoses based on the ADIS. The kappa statistic, calculated on the basis of perfect matches on primary diagnoses, indicated good agreement for anxiety, affective, and adjustment disorders, as well as for the specific anxiety disorder categories of agoraphobia, panic, social phobia, and obsessive-compulsive disorder, but not for generalized anxiety disorder. We evaluated the causes for diagnostic disagreement, particularly in relation to the difficult differentiation between generalized anxiety disorder and other anxiety disorders.

  4. Recent advances in convectively cooled engine and airframe structures for hypersonic flight

    NASA Technical Reports Server (NTRS)

    Kelly, H. N.; Wieting, A. R.; Shore, C. P.; Nowak, R. J.

    1978-01-01

    A hydrogen-cooled structure for a fixed-geometry, airframe-integrated scramjet is described. The thermal/structural problems, concepts, design features, and technological advances are applicable to a broad range of engines. Convectively cooled airframe structural concepts that have evolved from an extensive series of investigations, the technology developments that have led to these concepts, and the benefits that accrue from their use are discussed.

  5. 14 CFR 27.65 - Climb: all engines operating.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 14 Aeronautics and Space 1 2011-01-01 2011-01-01 false Climb: all engines operating. 27.65 Section... AIRWORTHINESS STANDARDS: NORMAL CATEGORY ROTORCRAFT Flight Performance § 27.65 Climb: all engines operating. (a...) With maximum continuous power on each engine; (ii) With the landing gear retracted; and (iii) For the...

  6. 14 CFR 27.65 - Climb: all engines operating.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 14 Aeronautics and Space 1 2014-01-01 2014-01-01 false Climb: all engines operating. 27.65 Section... AIRWORTHINESS STANDARDS: NORMAL CATEGORY ROTORCRAFT Flight Performance § 27.65 Climb: all engines operating. (a...) With maximum continuous power on each engine; (ii) With the landing gear retracted; and (iii) For the...

  7. New mixed valence defect dicubane cobalt(II)/cobalt(III) complex: Synthesis, crystal structure, photoluminescence and magnetic properties

    NASA Astrophysics Data System (ADS)

    Coban, Mustafa Burak; Gungor, Elif; Kara, Hulya; Baisch, Ulrich; Acar, Yasemin

    2018-02-01

    A new defect dicubane cobalt(II)/cobalt(III), [(CoII2CoIII2L42(H2O)(CH3COO)(CH3COOH]. 4H2O complex (1) where H2L = [1-(3-hydroxypropyliminomethyl)naphthalene-2-ol], has been synthesized and characterized by element analysis, FT-IR, solid UV-Vis spectroscopy and single crystal X-ray diffraction. The crystal structure determination shows a cationic tetrameric arrangement consisting of a defect dicubane core with two missing vertexes. Each cobalt ion has a distorted octahedral geometry with six coordinate ordered CoII and CoIII ions. The solid state photoluminescence properties of complex (1) and its ligand H2L have been investigated under UV light at 349 nm in the visible region. H2L exhibits blue emission while complex (1) shows red emission at room temperature. Variable-temperature magnetic susceptibility measurements on the complex (1) in the range 2-300 K indicate an antiferromagnetic interaction.

  8. Active Narrow-Band Vibration Isolation of Large Engineering Structures

    NASA Technical Reports Server (NTRS)

    Rahman, Zahidul; Spanos, John

    1994-01-01

    We present a narrow-band tracking control method using a variant of the Least Mean Squares (LMS) algorithm to isolate slowly changing periodic disturbances from engineering structures. The advantage of the algorithm is that it has a simple architecture and is relatively easy to implement while it can isolate disturbances on the order of 40-50 dB over decades of frequency band. We also present the results of an experiment conducted on a flexible truss structure. The average disturbance rejection achieved is over 40 dB over the frequency band of 5 Hz to 50 Hz.

  9. Structural, luminescence, thermodynamic and theoretical studies on mononuclear complexes of Eu(III) with pyridine monocarboxylate-N-oxides in aqueous solution

    NASA Astrophysics Data System (ADS)

    Dumpala, Rama Mohana Rao; Rawat, Neetika; Boda, Anil; Ali, Sk. Musharaf; Tomar, B. S.

    2018-02-01

    The mononuclear complexes formed by Eu(III) with three isomeric pyridine monocarboxylate-N-oxides namely picolinic acid-N-oxide (PANO), nicotinic acid-N-oxide (NANO) and isonicotinic acid-N-oxide (IANO) in aqueous solutions were studied by potentiometry, luminescence spectroscopy and isothermal titration calorimetry (ITC) to determine the speciation, coordination, luminescence properties and thermodynamic parameters of the complexes formed during the course of the reaction. More stable six membered chelate complexes with stoichiometry (MLi, i = 1-4) are formed by Eu(III) with PANO while non chelating ML and ML2 complexes are formed by NANO and IANO. The stability of Eu(III) complexes follow the order PANO > IANO > NANO. The ITC studies inferred an endothermic and innersphere complex formation of Eu(III)-PANO and Eu(III)-IANO whereas an exothermic and outer-sphere complex formation for Eu(III)-NANO. The luminescence life time data further supported the ITC results. Density functional theoretical calculations were carried out to optimize geometries of the complexes and to estimate the energies, structural parameters (bond distances, bond angles) and charges on individual atoms of the same. Theoretical approximations are found to be in good agreement with the experimental observations.

  10. Bowl adamanzanes--bicyclic tetraamines: syntheses and crystal structures of complexes with cobalt(III) and chelating coordinated oxo-anions.

    PubMed

    Broge, Louise; Søtofte, Inger; Jensen, Kristian; Jensen, Nicolai; Pretzmann, Ulla; Springborg, Johan

    2007-09-14

    Seven cobalt(III) complexes of the macrobicyclic tetraamine ligand [2(4).3(1)]adamanzane ([2(4).3(1)]adz) are reported along with the crystal structure of six of these complexes. The solid state and solution structures are discussed, and a detailed assignment of the NMR spectra of the sulfato complex is provided. Four of the seven complexes contain a chelate coordinating oxo-anion (sulfate, formiate, nitrate, carbonate). Equilibration of these species with the corresponding diaqua complex is generally slow. The rates of equilibration in 5 mol dm(-3) perchloric acid at 25 degrees C have been measured, yielding half lives of 20 min, 10 min and 3 h for the sulfato, formiato and carbonato species respectively. The corresponding reaction for the nitrato complex occurs with a half life of less than 3 min. The concentration acid dissociation constant for the Co([2(4).3(1)]adz)(HCO(3))(2+) ion has been measured to K(a) = 0.33 mol dm(-3) [25 degrees C, I = 2 mol dm(-3)] and K(a) = 0.15 mol dm(-3) [25 degrees C, I = 5 mol dm(-3)]. The propensity for coordination of sulfate was found to be large enough for a quantitative conversion of the carbonato complex to the sulfato complex to occur in 3 mol dm(-3) triflic acid containing a small sulfate contamination. On this basis the decarboxylation in 5 mol dm(-3) triflic acid of the corresponding cobalt(III) carbonato complex of the larger macrobicyclic tetraamine ligand [3(5)]adz was reinvestigated and found to lead to the sulfato complex as well. The difference in exchange rate of the oxo-anion ligands for the cobalt(III) complexes of the two adamanzane ligands is discussed and attributed to fundamental differences in the molecular structure where an inverted configuration of the secondary non-bridged amine groups is seen for the complexes of the larger [3(5)]adz ligand. The high affinity for chelating coordination of oxo-anions for these two cobalt(iii)-adamanzane-moieties is rationalised on basis of the N-Co-N angles. N

  11. Band structure effects on resonant tunneling in III-V quantum wells versus two-dimensional vertical heterostructures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Campbell, Philip M., E-mail: philip.campbell@gatech.edu; Electronic Systems Laboratory, Georgia Tech Research Institute, Atlanta, Georgia 30332; Tarasov, Alexey

    Since the invention of the Esaki diode, resonant tunneling devices have been of interest for applications including multi-valued logic and communication systems. These devices are characterized by the presence of negative differential resistance in the current-voltage characteristic, resulting from lateral momentum conservation during the tunneling process. While a large amount of research has focused on III-V material systems, such as the GaAs/AlGaAs system, for resonant tunneling devices, poor device performance and device-to-device variability have limited widespread adoption. Recently, the symmetric field-effect transistor (symFET) was proposed as a resonant tunneling device incorporating symmetric 2-D materials, such as transition metal dichalcogenides (TMDs),more » separated by an interlayer barrier, such as hexagonal boron-nitride. The achievable peak-to-valley ratio for TMD symFETs has been predicted to be higher than has been observed for III-V resonant tunneling devices. This work examines the effect that band structure differences between III-V devices and TMDs has on device performance. It is shown that tunneling between the quantized subbands in III-V devices increases the valley current and decreases device performance, while the interlayer barrier height has a negligible impact on performance for barrier heights greater than approximately 0.5 eV.« less

  12. Elucidating the 3D structures of Al(iii)-Aβ complexes: a template free strategy based on the pre-organization hypothesis.

    PubMed

    Mujika, Jon I; Rodríguez-Guerra Pedregal, Jaime; Lopez, Xabier; Ugalde, Jesus M; Rodríguez-Santiago, Luis; Sodupe, Mariona; Maréchal, Jean-Didier

    2017-07-01

    Senile plaques are extracellular deposits found in patients with Alzheimer's Disease (AD) and are mainly formed by insoluble fibrils of β-amyloid (Aβ) peptides. The mechanistic details about how AD develops are not fully understood yet, but metals such as Cu, Zn, or Fe are proposed to have a non-innocent role. Many studies have also linked the non biological metal aluminum with AD, a species whose concentration in the environment and food has been constantly increasing since the industrial revolution. Gaining a molecular picture of how Al(iii) interacts with an Aβ peptide is of fundamental interest to improve understanding of the many variables in the evolution of AD. So far, no consensus has been reached on how this metal interacts with Aβ, partially due to the experimental complexity of detecting and quantifying the resulting Al(iii)-Aβ complexes. Computational chemistry arises as a powerful alternative to investigate how Al(iii) can interact with Aβ peptides, as suitable strategies could shed light on the metal-peptide description at the molecular level. However, the absence of any reliable template that could be used for the modeling of the metallopeptide structure makes computational insight extremely difficult. Here, we present a novel strategy to generate accurate 3D models of the Al(iii)-Aβ complexes, which still circumvents first principles simulations of metal binding to peptides of Aβ. The key to this approach lies in the identification of experimental structures of the isolated peptide that are favourably pre-organized for the binding of a given metal in configurations of the first coordination sphere that were previously identified as the most stable with amino acid models. This approach solves the problem of the absence of clear structural templates for novel metallopeptide constructs. The posterior refinement of the structures via QM/MM and MD calculations allows us to provide, for the first time, physically sound models for Al(iii

  13. Syntheses, structures, and magnetic properties of a family of heterometallic heptanuclear [Cu5Ln2] (Ln = Y(III), Lu(III), Dy(III), Ho(III), Er(III), and Yb(III)) complexes: observation of SMM behavior for the Dy(III) and Ho(III) analogues.

    PubMed

    Chandrasekhar, Vadapalli; Dey, Atanu; Das, Sourav; Rouzières, Mathieu; Clérac, Rodolphe

    2013-03-04

    Sequential reaction of the multisite coordination ligand (LH3) with Cu(OAc)2·H2O, followed by the addition of a rare-earth(III) nitrate salt in the presence of triethylamine, afforded a series of heterometallic heptanuclear complexes containing a [Cu5Ln2] core {Ln = Y(1), Lu(2), Dy(3), Ho(4), Er(5), and Yb(6)}. Single-crystal X-ray crystallography reveals that all the complexes are dicationic species that crystallize with two nitrate anions to compensate the charge. The heptanuclear aggregates in 1-6 are centrosymmetrical complexes, with a hexagonal-like arrangement of six peripheral metal ions (two rare-earth and four copper) around a central Cu(II) situated on a crystallographic inversion center. An all-oxygen environment is found to be present around the rare-earth metal ions, which adopt a distorted square-antiprismatic geometry. Three different Cu(II) sites are present in the heptanuclear complexes: two possess a distorted octahedral coordination sphere while the remaining one displays a distorted square-pyramidal geometry. Detailed static and dynamic magnetic properties of all the complexes have been studied and revealed the single-molecule magnet behavior of the Dy(III) and Ho(III) derivatives.

  14. OXIDATION OF AS(III) BY AERATION AND STORAGE

    EPA Science Inventory

    A study of the effects of aeration and storage on the oxidation of arsenic(III) was undertaken at three utilities in the US to establish the engineering significance of aeration as a potential pre-treatment method for arsenic removal. The results of this study clearly establish t...

  15. Thermal/structural Tailoring of Engine Blades (T/STAEBL) User's Manual

    NASA Technical Reports Server (NTRS)

    Brown, K. W.; Clevenger, W. B.; Arel, J. D.

    1994-01-01

    The Thermal/Structural Tailoring of Engine Blades (T/STAEBL) system is a family of computer programs executed by a control program. The T/STAEBL system performs design optimizations of cooled, hollow turbine blades and vanes. This manual contains an overview of the system, fundamentals of the data block structure, and detailed descriptions of the inputs required by the optimizer. Additionally, the thermal analysis input requirements are described as well as the inputs required to perform a finite element blade vibrations analysis.

  16. Impact of Fe(III)-OM complexes and Fe(III) polymerization on SOM pools reactivity under different land uses

    NASA Astrophysics Data System (ADS)

    Giannetta, B.; Plaza, C.; Zaccone, C.; Siebecker, M. G.; Rovira, P.; Vischetti, C.; Sparks, D. L.

    2017-12-01

    Soil organic matter (SOM) protection and long-term accumulation are controlled by adsorption to mineral surfaces in different ways, depending on its molecular structure and pedo-climatic conditions. Iron (Fe) oxides are known to be key regulators of the soil carbon (C) cycle, and Fe speciation in soils is highly dependent on environmental conditions and chemical interactions with SOM. However, the molecular structure and hydrolysis of Fe species formed in association with SOM is still poorly described. We hypothesize the existence of two pools of Fe which interact with SOM: mononuclear Fe(III)-SOM complexes and precipitated Fe(III) hydroxides. To verify our hypothesis, we investigated the interactions between Fe(III) and physically isolated soil fractions by means of batch experiments at pH 7. Specifically, we examined the fine silt plus clay (FSi+C) fraction, obtained by ultrasonic dispersion and wet sieving. The soil samples spanned several land uses, including coniferous forest (CFS), grassland (GS), technosols (TS) and agricultural (AS) soils. Solid phase products and supernatants were analyzed for C and Fe content. X-ray diffraction (XRD) and Brunauer-Emmett-Teller (BET) analysis were also performed. Attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR) was used to assess the main C functional groups involved in C complexation and desorption experiments. Preliminary linear combination fitting (LCF) of Fe K-edge extended X-ray absorption fine structure (EXAFS) spectra suggested the formation of ferrihydrite-like polymeric Fe(III) oxides in reacted CFS and GS samples, with higher C and Fe concentration. Conversely, mononuclear Fe(III) OM complexes dominated the speciation for TS and AS samples, characterized by lower C and Fe concentration, inhibiting the hydrolysis and polymerization of Fe (III). This approach will help revealing the mechanisms by which SOM pools can control Fe(III) speciation, and will elucidate how both Fe(III

  17. Essie: A Concept-based Search Engine for Structured Biomedical Text

    PubMed Central

    Ide, Nicholas C.; Loane, Russell F.; Demner-Fushman, Dina

    2007-01-01

    This article describes the algorithms implemented in the Essie search engine that is currently serving several Web sites at the National Library of Medicine. Essie is a phrase-based search engine with term and concept query expansion and probabilistic relevancy ranking. Essie’s design is motivated by an observation that query terms are often conceptually related to terms in a document, without actually occurring in the document text. Essie’s performance was evaluated using data and standard evaluation methods from the 2003 and 2006 Text REtrieval Conference (TREC) Genomics track. Essie was the best-performing search engine in the 2003 TREC Genomics track and achieved results comparable to those of the highest-ranking systems on the 2006 TREC Genomics track task. Essie shows that a judicious combination of exploiting document structure, phrase searching, and concept based query expansion is a useful approach for information retrieval in the biomedical domain. PMID:17329729

  18. Novel phosphate halides BaMn{sup III}[PO{sub 4}]FCl and BaMn{sup III}[PO{sub 4}]F{sub 2}: Effects of mixed halides on crystal structures and magnetic properties

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Pei, Da-Ting, E-mail: pdtcug@gmail.com; Sun, Wei, E-mail: 421221789@qq.com; Department of Geological Sciences, University of Saskatchewan, 114 Science Place, Saskatoon, Canada SK S7N 5E2

    2016-02-15

    Two new phosphate halides BaMn{sup III}[PO{sub 4}]FCl (1) and BaMn{sup III}[PO{sub 4}]F{sub 2} (2), have been synthesized under hydrothermal conditions. Structural characterizations show that both new compounds adopt layered structures but with different polyhedral linkages. Introduction of Cl into Compound (1) results in isolated hemimorphic [MnO{sub 4}FCl] octahedra, different from the chain of [MnO{sub 4}F{sub 2}]/[MnO{sub 2}F{sub 4}] octahedra in Compound (2). These compounds have significantly different molecular vibration modes and thermal stabilities. Magnetic measurements reveal that Compound (2) has larger antiferromagnetic interactions than Compound (1), because the former has strong interactions between Mn{sup 3+}-Mn{sup 3+} ions within corner-shared Mn{supmore » 3+}-octahedral chains whereas the latter only possesses isolated Mn{sup 3+}-octahedra. Both compounds transform to a new orthorhombic compound BaMn{sup II}(PO{sub 4})F (3) after thermal decomposition. - Graphical abstract: The large radius of Cl{sup -} ions makesBaMn{sup III}[PO{sub 4}]FCl to adopt isolated [MnO{sub 4}FCl] rather than corner-sharing octahedra as observed in BaMn{sup III}[PO{sub 4}]F{sub 2}. - Highlights: • Two novel phosphate halides BaMn[PO{sub 4}]FCl and BaMn[PO{sub 4}]F{sub 2} have been prepared. • These new compounds adopt different types of layered structures. • They have different molecular vibration modes and thermal stabilities. • BaMn[PO{sub 4}]FCl has weaker antiferromagnetic interactions than BaMn[PO{sub 4}]F{sub 2}. • The former adopts isolated octahedra whereas the latter adopts octahedral chains.« less

  19. Pavement-Transportation Computer Assisted Structural Engineering (PCASE) Implementation of the Modified Berggren (ModBerg) Equation for Computing the Frost Penetration Depth within Pavement Structures

    DTIC Science & Technology

    2012-04-01

    ER D C/ G SL T R -1 2 -1 5 Pavement -Transportation Computer Assisted Structural Engineering (PCASE) Implementation of the Modified...Berggren (ModBerg) Equation for Computing the Frost Penetration Depth within Pavement Structures G eo te ch n ic al a n d S tr u ct u re s La b or at...April 2012 Pavement -Transportation Computer Assisted Structural Engineering (PCASE) Implementation of the Modified Berggren (ModBerg) Equation for

  20. 75 FR 22576 - Minority Science and Engineering Improvement Program

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-04-29

    ... DEPARTMENT OF EDUCATION [CFDA No. 84.120A] Minority Science and Engineering Improvement Program... the fiscal year (FY) 2009 grant slate for the Minority Science and Engineering Improvement Program... Engineering Improvement Program (MSEIP), authorized by Title III, Part E of the Higher Education Act of 1965...

  1. Use of a Genetically Engineered Protein for the Design of a Multivalent MRI Contrast Agent

    PubMed Central

    Karfeld, Lindsay S.; Bull, Steve R.; Davis, Nicolynn E.; Meade, Thomas J.; Barron, Annelise E.

    2008-01-01

    The majority of clinically used contrast agents (CAs) for magnetic resonance imaging have low relaxivities and thus require high concentrations for signal enhancement. Research has turned to multivalent, macromolecular CAs to increase CA efficiency. However, previously developed macromolecular CAs do not provide high relaxivities, have limited biocompatibility, and/or do not have a structure that is readily modifiable to tailor to particular applications. We report a new family of multivalent, biomacromolecular, genetically engineered protein polymer-based CAs; the protein backbone contains evenly spaced lysines that are derivatized with gadolinium (Gd(III)) chelators. The protein's length and repeating amino acid sequence are genetically specified. We reproducibly obtained conjugates with an average of 8 – 9 Gd(III) chelators per protein. These multivalent CAs reproducibly provide a high relaxivity of 7.3 mM-1s-1 per Gd(III) and 62.6 mM-1s-1 per molecule. Furthermore, they can be incorporated into biomaterial hydrogels via chemical crosslinking of remaining free lysines, and provide a dramatic contrast enhancement. Thus, these protein polymer CAs could be a useful tool for following the evolution of tissue engineering scaffolds. PMID:17927227

  2. Three series of heterometallic NiII-LnIII Schiff base complexes: synthesis, crystal structures and magnetic characterization.

    PubMed

    Jiang, Lin; Liu, Yue; Liu, Xin; Tian, Jinlei; Yan, Shiping

    2017-09-26

    Three series of Ni II -Ln III complexes were synthesized with the general formulae [(μ 3 -CO 3 ) 2 {Ni(HL)(CH 3 -CH 2 OH)Ln(CH 3 COO)} 2 ]·2CH 3 CH 2 OH (1-6) (Ln = Tb (1), Dy (2), Ho (3), Er (4), Tm (5), Yb (6); H 3 L = N,N'-bis(3-methoxysalicylidene)-1,3-diamino-2-prop-anol), [Ni(HL)Ln(dbm) 3 ]·CH 3 OH 2 ·2CH 2 Cl 2 (7-10) (Ln = Tb (7), Eu (8), Gd (9), Ho (10); Hdbm = 1,3-diphenyl-1,3-propanedione) and [Ni(HL)(H 2 O)(tfa)Ln(hfac) 2 ] (11-15) (Ln = Tb (11), Dy (12), Eu (13), Gd (14), Ho (15); Hhfac = 1,1,1,5,5,5-hexafluoropentane-2,4-dione, tfa - = trifluoroacetate) using compartmental Schiff base ligands in conjunction with auxiliary ligands. For the NiLn series, the tetranuclear structure could be considered as two Ni II -Ln III dinuclear subunits bridged by two carbonates derived from atmospheric carbon dioxide. The Ln III ions of complexes 1-6 were octa-coordinated with distorted triangular dodecahedral geometry, while the Ln III ions of the dinuclear complexes 7-15 were nona-coordinated with distorted muffin geometry. The magnetic properties of the three series complexes were studied using dc and ac magnetic measurements. For the Ni II -Gd III complexes, the dc magnetic susceptibility measurements suggested the existence of the anticipated ferromagnetic interaction between Ni II and Gd III ions. The fitting of the χ M T vs. T data processed by PHI software provided the parameters g = 2.08 (J = +0.87 cm -1 ) for 9 and g = 2.02 (J = +1.83 cm -1 ) for 14. The interaction exchange was magneto-structurally correlated to the Ni-O-Gd angle (α) and Ni(μ-O)Gd dihedral angle (β). With an applied dc field, complexes 1 (Tb), 2 (Dy), 7 (Tb) and 12 (Dy) exhibited single magnetic relaxation with SMM parameters of U eff /k = 13.60 K, 11.52 K, 7.69 K and 5.14 K, respectively. Analysis of the Cole-Cole plots for complexes 2 and 7 suggested that a single relaxation process was mainly involved in the relaxation process, with α values in the range of 0.37-0.17 and 0

  3. Inter-band optoelectronic properties in quantum dot structure of low band gap III-V semiconductors

    NASA Astrophysics Data System (ADS)

    Dey, Anup; Maiti, Biswajit; Chanda Sarkar, Debasree

    2014-04-01

    A generalized theory is developed to study inter-band optical absorption coefficient (IOAC) and material gain (MG) in quantum dot structures of narrow gap III-V compound semiconductor considering the wave-vector (k→) dependence of the optical transition matrix element. The band structures of these low band gap semiconducting materials with sufficiently separated split-off valance band are frequently described by the three energy band model of Kane. This has been adopted for analysis of the IOAC and MG taking InAs, InSb, Hg1-xCdxTe, and In1-xGaxAsyP1-y lattice matched to InP, as example of III-V compound semiconductors, having varied split-off energy band compared to their bulk band gap energy. It has been found that magnitude of the IOAC for quantum dots increases with increasing incident photon energy and the lines of absorption are more closely spaced in the three band model of Kane than those with parabolic energy band approximations reflecting the direct the influence of energy band parameters. The results show a significant deviation to the MG spectrum of narrow-gap materials having band nonparabolicity compared to the parabolic band model approximations. The results reflect the important role of valence band split-off energies in these narrow gap semiconductors.

  4. Structure of thiocyanate hydrolase: a new nitrile hydratase family protein with a novel five-coordinate cobalt(III) center.

    PubMed

    Arakawa, Takatoshi; Kawano, Yoshiaki; Kataoka, Shingo; Katayama, Yoko; Kamiya, Nobuo; Yohda, Masafumi; Odaka, Masafumi

    2007-03-09

    Thiocyanate hydrolase (SCNase) of Thiobacillus thioparus THI115 is a cobalt(III)-containing enzyme catalyzing the degradation of thiocyanate to carbonyl sulfide and ammonia. We determined the crystal structures of the apo- and native SCNases at a resolution of 2.0 A. SCNases in both forms had a conserved hetero-dodecameric structure, (alphabetagamma)(4). Four alphabetagamma hetero-trimers were structurally equivalent. One alphabetagamma hetero-trimer was composed of the core domain and the betaN domain, which was located at the center of the molecule and linked the hetero-trimers with novel quaternary interfaces. In both the apo- and native SCNases, the core domain was structurally conserved between those of iron and cobalt-types of nitrile hydratase (NHase). Native SCNase possessed the post-translationally modified cysteine ligands, gammaCys131-SO(2)H and gammaCys133-SOH like NHases. However, the low-spin cobalt(III) was found to be in the distorted square-pyramidal geometry, which had not been reported before in any protein. The size as well as the electrostatic properties of the substrate-binding pocket was totally different from NHases with respect to the charge distribution and the substrate accessibility, which rationally explains the differences in the substrate preference between SCNase and NHase.

  5. Structure-activity relationships in cytotoxic Au(I)/Au(III) complexes derived from 2-(2'-pyridyl)benzimidazole.

    PubMed

    Maiore, Laura; Aragoni, Maria Carla; Deiana, Carlo; Cinellu, Maria Agostina; Isaia, Francesco; Lippolis, Vito; Pintus, Anna; Serratrice, Maria; Arca, Massimiliano

    2014-04-21

    Gold(I) and gold(III) complexes derived from 2-(2'-pyridyl)benzimidazole (pbiH) were proven to be a promising class of in vitro antitumor agents against A2780 human ovarian cancer cells. In this paper, a comparative electrochemical, UV-vis absorption, and emission spectroscopic investigation is reported on pbiH, the two mononuclear Au(III) complexes [(pbi)AuX2] (X = Cl (1), AcO (2)), the four mononuclear Au(I) derivatives [(pbiH)AuCl] (3), [(pbiH)Au(PPh3)]PF6 ((4(+))(PF6(-))), [(pbi)Au(PPh3)] (5), and [(pbi)Au(TPA)] (6), the three mixed-valence Au(III)/Au(I) complexes [(μ-pbi)Au2Cl3] (7), [(Ph3P)Au(μ-pbi)AuX2]PF6 (X = Cl ((8(+))(PF6(-))), AcO ((9(+))(PF6(-)))), and the binuclear Au(I)-Au(I) compound [(μ-pbi)Au2(PPh3)2]PF6 ((10(+))(PF6(-))). All complexes feature irreversible reduction processes related to the Au(III)/Au(I) or Au(I)/Au(0) processes and peculiar luminescent emission at about 360-370 nm in CH2Cl2, with quantum yields that are remarkably lower ((0.7-14.5) × 10(-2)) in comparison to that determined for the free pbiH ligand (31.5 × 10(-2)) in the same solvent. The spectroscopic and electrochemical properties of all complexes were interpreted on the grounds of time-dependent PBE0/DFT calculations carried out both in the gas phase and in CH2Cl2 implicitly considered within the IEF-PCM SCRF approach. The electronic structure of the complexes, and in particular the energy and composition of the Kohn-Sham LUMOs, can be related to the antiproliferative properties against the A2780 ovarian carcinoma cell line, providing sound quantitative structure-activity relationships and shedding a light on the role played by the global charge and nature of ancillary ligands in the effectiveness of Au-based antitumor drugs.

  6. Acoustic Detection of Faults and Degradation in a High-Bypass Turbofan Engine during VIPR Phase III Testing

    NASA Technical Reports Server (NTRS)

    Boyle, Devin K.

    2017-01-01

    The Vehicle Integrated Propulsion Research (VIPR) Phase III project was executed at Edwards Air Force Base, California, by the National Aeronautics and Space Administration and several industry, academic, and government partners in the summer of 2015. One of the research objectives was to use external radial acoustic microphone arrays to detect changes in the noise characteristics produced by the research engine during volcanic ash ingestion and seeded fault insertion scenarios involving bleed air valves. Preliminary results indicate the successful acoustic detection of suspected degradation as a result of cumulative exposure to volcanic ash. This detection is shown through progressive changes, particularly in the high-frequency content, as a function of exposure to greater cumulative quantities of ash. Additionally, detection of the simulated failure of the 14th stage stability bleed valve and, to a lesser extent, the station 2.5 stability bleed valve, to their fully-open fail-safe positions was achieved by means of spectral comparisons between nominal (normal valve operation) and seeded fault scenarios.

  7. Structural Fine-Tuning of MIT-Interacting Motif 2 (MIM2) and Allosteric Regulation of ESCRT-III by Vps4 in Yeast.

    PubMed

    Kojima, Rieko; Obita, Takayuki; Onoue, Kousuke; Mizuguchi, Mineyuki

    2016-06-05

    The endosomal sorting complex required for transport (ESCRT) facilitates roles in membrane remodeling, such as multivesicular body biogenesis, enveloped virus budding and cell division. In yeast, Vps4 plays a crucial role in intraluminal vesicle formation by disassembling ESCRT proteins. Vps4 is recruited by ESCRT-III proteins to the endosomal membrane through the interaction between the microtubule interacting and trafficking (MIT) domain of Vps4 and the C-terminal MIT-interacting motif (MIM) of ESCRT-III proteins. Here, we have determined the crystal structure of Vps4-MIT in a complex with Vps20, a member of ESCRT-III, and revealed that Vps20 adopts a unique MIM2 conformation. Based on structural comparisons with other known MIM2s, we have refined the consensus sequence of MIM2. We have shown that another ESCRT-III protein, Ist1, binds to Vps4-MIT via its C-terminal MIM1 with higher affinity than Vps2, but lacks MIM2 by surface plasmon resonance. Surprisingly, the Ist1 MIM1 competed with the MIM2 of Vfa1, a regulator of Vps4, for binding to Vps4-MIT, even though these MIMs bind in non-overlapping sites on the MIT. These findings provide insight into the allosteric recognition of MIMs of ESCRT-III by Vps4 and also the regulation of ESCRT machinery at the last step of membrane remodeling. Copyright © 2016 Elsevier Ltd. All rights reserved.

  8. Oxalato-bridged dinuclear complexes of Cr(III) and Fe(III): synthesis, structure, and magnetism of [(C2H5)4N]4[MM'(ox)(NCS)8] with MM' = CrCr, FeFe, and CrFe.

    PubMed

    Triki, S; Bérézovsky, F; Sala Pala, J; Coronado, E; Gómez-García, C J; Clemente, J M; Riou, A; Molinié, P

    2000-08-21

    A new series of homo- and heterometallic oxalato-bridged dinuclear compounds of formulas [Et4N]4[MM'(ox)(NCS)8] ([Et4N]+ = [(C2H5)4N]+; ox = C2O4(2-)) with MM' = Cr(III)-Cr(III) (1), Fe(III)-Fe(III) (2), and Cr(III)-Fe(III) (3) is reported. They have been structurally characterized by infrared spectra and single-crystal X-ray diffraction. The three compounds are isostructural and crystallize in the orthorhombic space group Cmca with Z = 8, a = 16.561(8) A, b = 13.481(7) A, and c = 28.168(8) A for 1, a = 16.515(2) A, b = 13.531(1) A, and c = 28.289(4) A for 2, a = 16.664(7) A, b = 13.575(6) A, and c = 28.386(8) A for 3. The structure of 3 is made up of a discrete dinuclear anion [CrFe(ox)(NCS)8]4- and four disordered [Et4N]+ cations, each of them located on special positions. The anion, in a crystallographically imposed C2h symmetry, contains metal cations in distorted octahedral sites. The Cr(ox)Fe group, which is planar within 0.02 A, presents an intramolecular metal-metal distance of 5.43 A. Magnetic susceptibility measurements indicate antiferromagnetic pairwise interactions for 1 and 2 with J = -3.23 and -3.84 cm-1, respectively, and ferromagnetic Cr-Fe coupling with J = 1.10 cm-1 for 3 (J being the parameter of the exchange Hamiltonian H = -2JS1S2). The ESR spectra at different temperatures confirm the magnetic susceptibility data.

  9. Structural and functional engineering of one-dimensional nanostructures for device applications

    NASA Astrophysics Data System (ADS)

    Singh, Krishna Veer

    Fabrication of 1-D nanostructures has been an area of keen interest due to their application in nanodevices. Carbon nanotubes (CNTs) and semiconducting nanorods are 1-D nanostructures of great importance. There are various challenges related to structural and functional aspects of these materials, which need to be addressed for their adaptation in devices. To this end, two approaches have been developed: (1) structural engineering of the nanorods and (2) functionalization of CNTs for device applications. In first approach, a new technique to produce single crystal semiconducting nanorods was developed. Single crystalline structure of nanorods is essential to obtain reproducible performance. The novel synthesis technique 'template assisted sonoelectrochemical deposition' was utilized to develop 'copper sulfide' and 'copper indium sulfide' nanorods. The use of sonoelectrochemical method resulted in the best deposition rate as compared to stirring-assisted and regular electrochemical deposition, respectively. Observed increase in the bulk electrolyte temperature, high acoustic pressure and shock waves generated from the collapse of bubbles could explain improved mass transport and reaction rate, which results in the formation of single crystal nanorods. Nanorods in the range of 50-200nm in diameter were synthesized and electrically characterized as p-type semiconductors. Excellent structural and repeatable electrical properties of the various nanorods developed by this technique make it suitable for developing nanorods for device applications. In addition, detailed statistical analysis of the polycarbonate templates (50-200 nm nominal pore size) used in electrodeposition provided a better understanding of template's as well as nanorods' structure. In the second approach, we functionally engineered single walled carbon nanotubes (SWNTs) with peptide nucleic acid (PNA) to form functional conjugates for molecular electronics. SWNT-PNA-SWNT conjugates were synthesized

  10. Exposing the Complex III Qo semiquinone radical

    PubMed Central

    Zhang, Haibo; Osyczka, Artur; Dutton, P. L.; Moser, Christopher C.

    2012-01-01

    Complex III Qo site semiquinone has been assigned pivotal roles in productive energy-conversion and destructive superoxide generation. After a 30 year search, a genetic heme bH knockout arrests this transient semiquinone EPR radical, revealing the natural engineering balance pitting energy-conserving, short-circuit minimizing, split electron transfer and catalytic speed against damaging oxygen reduction. PMID:17560537

  11. 40 CFR 94.907 - Engine dressing exemption.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ..., element of design, or calibration specified in the engine manufacturer's application for certification... turbocharger with one that matches the performance of the original turbocharger. (iii) Modify or design the... exempted engine, you must send us emission test data on the appropriate marine duty cycles. You can include...

  12. Purification of mutacin III from group III Streptococcus mutans UA787 and genetic analyses of mutacin III biosynthesis genes.

    PubMed

    Qi, F; Chen, P; Caufield, P W

    1999-09-01

    Previously, members of our group reported the isolation and characterization of mutacin II from Streptococcus mutans T8 and the genetic analyses of the mutacin II biosynthesis genes (J. Novak, P. W. Caufield, and E. J. Miller, J. Bacteriol. 176:4316-4320, 1994; F. Qi, P. Chen, and P. W. Caufield, Appl. Environ. Microbiol. 65:652-658, 1999; P. Chen, F. Qi, J. Novak, and P. W. Caufield, Appl. Environ. Microbiol. 65:1356-1360, 1999). In this study, we cloned and sequenced the mutacin III biosynthesis gene locus from a group III strain of S. mutans, UA787. DNA sequence analysis revealed eight open reading frames, which we designated mutR, -A, -A', -B, -C, -D, -P, and -T. MutR bears strong homology with MutR of mutacin II, while MutA, -B, -C, -D, -P, and -T are counterparts of proteins in the lantibiotic epidermin group. MutA' has 60% amino acid identity with MutA and therefore appears to be a duplicate of MutA. Insertional inactivation demonstrated that mutA is an essential gene for mutacin III production, while mutA' is not required. Mutacin III was purified to homogeneity by using reverse-phase high-pressure liquid chromatography. N-terminal peptide sequencing of the purified mutacin III determined mutA to be the structural gene for prepromutacin III. The molecular mass of the purified peptide was measured by laser disorption mass spectrophotometry and found to be 2,266.43 Da, consistent with our supposition that mutacin III has posttranslational modifications similar to those of the lantibiotic epidermin.

  13. Chapter D. The Loma Prieta, California, Earthquake of October 17, 1989 - Earth Structures and Engineering Characterization of Ground Motion

    USGS Publications Warehouse

    Holzer, Thomas L.

    1998-01-01

    This chapter contains two papers that summarize the performance of engineered earth structures, dams and stabilized excavations in soil, and two papers that characterize for engineering purposes the attenuation of ground motion with distance during the Loma Prieta earthquake. Documenting the field performance of engineered structures and confirming empirically based predictions of ground motion are critical for safe and cost effective seismic design of future structures as well as the retrofitting of existing ones.

  14. Structural Evaluation of Exo-Skeletal Engine Fan Blades

    NASA Technical Reports Server (NTRS)

    Kuguoglu, Latife; Abumeri, Galib; Chamis, Christos C.

    2003-01-01

    The available computational simulation capability is used to demonstrate the structural viability of composite fan blades of innovative Exo-Skeletal Engine (ESE) developed at NASA Glenn Research Center for a subsonic mission. Full structural analysis and progressive damage evaluation of ESE composite fan blade is conducted through the NASA in-house computational simulation software system EST/BEST. The results of structural assessment indicate that longitudinal stresses acting on the blade are in compression. At a design speed of 2000 rpm, pressure and suction surface outer most ply stresses in longitudinal, transverse and shear direction are much lower than the corresponding composite ply strengths. Damage is initiated at 4870 rpm and blade fracture takes place at rotor speed of 7735 rpm. Damage volume is 51 percent. The progressive damage, buckling, stress and strength results indicate that the design at hand is very sound because of the factor of safety, damage tolerance, and buckling load of 6811 rpm.

  15. Synthesis and characterization of the tetranuclear iron(III) complex of a new asymmetric multidentate ligand. A structural model for purple acid phosphatases.

    PubMed

    Boudalis, Athanassios K; Aston, Robyn E; Smith, Sarah J; Mirams, Ruth E; Riley, Mark J; Schenk, Gerhard; Blackman, Allan G; Hanton, Lyall R; Gahan, Lawrence R

    2007-11-28

    The ligand, 2-((2-hydroxy-5-methyl-3-((pyridin-2-ylmethylamino)methyl)benzyl)(2-hydroxybenzyl)amino)acetic acid (H(3)HPBA), which contains a donor atom set that mimics that of the active site of purple acid phosphatase is described. Reaction of H(3)HPBA with iron(III) or iron(II) salts results in formation of the tetranuclear complex, [Fe(4)(HPBA)(2)(OAc)(2)(mu-O)(mu-OH)(OH(2))(2)]ClO(4) x 5H(2)O. X-Ray structural analysis reveals the cation consists of four iron(III) ions, two HPBA(3-) ligands, two bridging acetate ligands, a bridging oxide ion and a bridging hydroxide ion. Each binucleating HPBA(3-) ligand coordinates two structurally distinct hexacoordinate iron(III) ions. The two metal ions coordinated to a HPBA(3-) ligand are linked to the two iron(III) metal ions of a second, similar binuclear unit by intramolecular oxide and hydroxide bridging moieties to form a tetramer. The complex has been further characterised by elemental analysis, mass spectrometry, UV-vis and MCD spectroscopy, X-ray crystallography, magnetic susceptibility measurements and variable-temperature Mössbauer spectroscopy.

  16. Gelatin Scaffolds with Controlled Pore Structure and Mechanical Property for Cartilage Tissue Engineering.

    PubMed

    Chen, Shangwu; Zhang, Qin; Nakamoto, Tomoko; Kawazoe, Naoki; Chen, Guoping

    2016-03-01

    Engineering of cartilage tissue in vitro using porous scaffolds and chondrocytes provides a promising approach for cartilage repair. However, nonuniform cell distribution and heterogeneous tissue formation together with weak mechanical property of in vitro engineered cartilage limit their clinical application. In this study, gelatin porous scaffolds with homogeneous and open pores were prepared using ice particulates and freeze-drying. The scaffolds were used to culture bovine articular chondrocytes to engineer cartilage tissue in vitro. The pore structure and mechanical property of gelatin scaffolds could be well controlled by using different ratios of ice particulates to gelatin solution and different concentrations of gelatin. Gelatin scaffolds prepared from ≥70% ice particulates enabled homogeneous seeding of bovine articular chondrocytes throughout the scaffolds and formation of homogeneous cartilage extracellular matrix. While soft scaffolds underwent cellular contraction, stiff scaffolds resisted cellular contraction and had significantly higher cell proliferation and synthesis of sulfated glycosaminoglycan. Compared with the gelatin scaffolds prepared without ice particulates, the gelatin scaffolds prepared with ice particulates facilitated formation of homogeneous cartilage tissue with significantly higher compressive modulus. The gelatin scaffolds with highly open pore structure and good mechanical property can be used to improve in vitro tissue-engineered cartilage.

  17. Factors affecting the structure and maturation of human tissue engineered skeletal muscle.

    PubMed

    Martin, Neil R W; Passey, Samantha L; Player, Darren J; Khodabukus, Alastair; Ferguson, Richard A; Sharples, Adam P; Mudera, Vivek; Baar, Keith; Lewis, Mark P

    2013-07-01

    Tissue engineered skeletal muscle has great utility in experimental studies of physiology, clinical testing and its potential for transplantation to replace damaged tissue. Despite recent work in rodent tissue or cell lines, there is a paucity of literature concerned with the culture of human muscle derived cells (MDCs) in engineered constructs. Here we aimed to tissue engineer for the first time in the literature human skeletal muscle in self-assembling fibrin hydrogels and determine the effect of MDC seeding density and myogenic proportion on the structure and maturation of the constructs. Constructs seeded with 4 × 10(5) MDCs assembled to a greater extent than those at 1 × 10(5) or 2 × 10(5), and immunostaining revealed a higher fusion index and a higher density of myotubes within the constructs, showing greater structural semblance to in vivo tissue. These constructs primarily expressed perinatal and slow type I myosin heavy chain mRNA after 21 days in culture. In subsequent experiments MACS(®) technology was used to separate myogenic and non-myogenic cells from their heterogeneous parent population and these cells were seeded at varying myogenic (desmin +) proportions in fibrin based constructs. Only in the constructs seeded with 75% desmin + cells was there evidence of striations when immunostained for slow myosin heavy chain compared with constructs seeded with 10 or 50% desmin + cells. Overall, this work reveals the importance of cell number and myogenic proportions in tissue engineering human skeletal muscle with structural resemblance to in vivo tissue. Copyright © 2013 Elsevier Ltd. All rights reserved.

  18. Strongly Circularly Polarized Emission from Water-Soluble Eu(III)- and Tb(III)-Based Complexes: A Structural and Spectroscopic Study.

    PubMed

    Leonzio, Marco; Melchior, Andrea; Faura, Georgina; Tolazzi, Marilena; Zinna, Francesco; Di Bari, Lorenzo; Piccinelli, Fabio

    2017-04-17

    Water-soluble Eu(III) and Tb(III) complexes with N,N'-bis(2-pyridylmethyl)-trans-1,2-diaminocyclohexane-N,N'-diacetic acid (H 2 bpcd) have been synthesized and characterized in their racemic and enantiopure forms. The ligand has been designed to bind Ln(III) ions, providing a dissymmetric environment able to solicit strong chiroptical features while at the same time leaving a few coordination sites available for engaging further ancillary ligands. Potentiometric studies show that Ln(III) complexes have a relatively good stability and that at pH 7 the [Ln(bpcd)] + species is largely dominant. DFT calculations carried out on the (S,S)-[Y(bpcd)(H 2 O) 5 ] + complexes (the closed-shell equivalents of [Eu(bpcd)(H 2 O) 5 ] + and [Tb(bpcd)(H 2 O) 5 ] + ) indicate that the two trans-O,O and trans-N py ,N py configurations are equally stable in solution and present two coordinated water molecules. This is in agreement with the hydration number ∼2.6 determined by luminescence lifetime measurements on Tb(III) and Eu(III) complexes. A detailed optical and chiroptical spectroscopic characterization has been carried out and reveals that the complexes display an efficient luminescence in the visible spectral range accompanied by a strong CPL activity. A value for g lum (around 0.1 on the top of the 546 nm band) for the Tb-based complex has been found. This is one of the highest g lum values measured up to now for chiral Tb complexes. These results suggest that in principle Tb(bpcd)Cl is suitable to be employed as a CPL bioprobe for relevant analytes in aqueous media.

  19. Structure and dynamics of the CrIII ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation.

    PubMed

    Kritayakornupong, Chinapong; Plankensteiner, Kristof; Rode, Bernd M

    2004-10-01

    Structural and dynamical properties of the Cr(III) ion in aqueous solution have been investigated using a combined ab initio quantum mechanical/molecular mechanical (QM/MM) molecular dynamics simulation. The hydration structure of Cr(III) was determined in terms of radial distribution functions, coordination numbers, and angular distributions. The QM/MM simulation gives coordination numbers of 6 and 15.4 for the first and second hydration shell, respectively. The first hydration shell is kinetically very inert but by no means rigid and variations of the first hydration shell geometry lead to distinct splitting in the vibrational spectra of Cr(H(2)O)(6) (3+). A mean residence time of 22 ps was obtained for water ligands residing in the second hydration shell, which is remarkably shorter than the experimentally estimated value. The hydration energy of -1108 +/- 7 kcal/mol, obtained from the QM/MM simulation, corresponds well to the experimental hydration enthalpy value. Copyright 2004 Wiley Periodicals, Inc.

  20. Abstraction and Concreteness in the Everyday Mathematics of Structural Engineers.

    ERIC Educational Resources Information Center

    Gainsburg, Julie

    The everyday mathematics processes of structural engineers were studied and analyzed in terms of abstraction. A main purpose of the study was to explore the degree to which the notion of a gap between school and everyday mathematics holds when the scope of practices considered "everyday" is extended. J. Lave (1988) promoted a methodology…

  1. Health care professional workstation: software system construction using DSSA scenario-based engineering process.

    PubMed

    Hufnagel, S; Harbison, K; Silva, J; Mettala, E

    1994-01-01

    This paper describes a new method for the evolutionary determination of user requirements and system specifications called scenario-based engineering process (SEP). Health care professional workstations are critical components of large scale health care system architectures. We suggest that domain-specific software architectures (DSSAs) be used to specify standard interfaces and protocols for reusable software components throughout those architectures, including workstations. We encourage the use of engineering principles and abstraction mechanisms. Engineering principles are flexible guidelines, adaptable to particular situations. Abstraction mechanisms are simplifications for management of complexity. We recommend object-oriented design principles, graphical structural specifications, and formal components' behavioral specifications. We give an ambulatory care scenario and associated models to demonstrate SEP. The scenario uses health care terminology and gives patients' and health care providers' system views. Our goal is to have a threefold benefit. (i) Scenario view abstractions provide consistent interdisciplinary communications. (ii) Hierarchical object-oriented structures provide useful abstractions for reuse, understandability, and long term evolution. (iii) SEP and health care DSSA integration into computer aided software engineering (CASE) environments. These environments should support rapid construction and certification of individualized systems, from reuse libraries.

  2. Structure of thallium(III) chloride, bromide, and cyanide complexes in aqueous solution

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Blixt, J.; Glaser, J.; Sandstroem, M.

    1995-05-10

    The structures of the hydrated thallium(III) halide and pseudohalide complexes, [TlX{sub n}(OH{sub 2}){sub m}]{sup (3-d)+}, X = Cl, Br, CN, in aqueous solution have been studied by a combination of X-ray absorption fine structure spectroscopy (XAFS), large-angle X-ray scattering (LAXS), and vibrational spectroscopic (Raman and IR) techniques including far-infrared studies of aqueous solutions and some solid phases with known structures. The vibrational Tl-X frequencies of all complexes are reported, force constants are calculated using normal coordinate analysis, and assignments are given. The structural results are consistent with octahedral six-coordination for the cationic complexes Tl(OH{sub 2}){sub 6}{sup 3$PLU}, TlX(OH{sub 2}){sub 5}{supmore » 2+}, and trans-TlX{sub 2}(OH{sub 2}){sub 4}{sup +}. The coordination geometry changes to trigonal bipyramidal for the neutral TlBr{sub 3}(OH{sub 2}){sub 2} complex and possibly also for TlCl{sub 3}(OH{sub 2}){sub 2}. The TlX{sub 4}{sup -} complexes are all tetrahedral. Higher chloride complexes, TlCl{sub 5}(OH{sub 2}){sup 2-} and TlCl{sub 6}{sup 3-}, are formed and have again octahedral coordination geometry. 65 refs., 7 figs., 5 tabs.« less

  3. Structural characterization of poorly-crystalline scorodite, iron(III)-arsenate co-precipitates and uranium mill neutralized raffinate solids using X-ray absorption fine structure spectroscopy

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chen, N; Jiang, D T; Cutler, J

    X-ray absorption fine structure (XAFS) is used to characterize the mineralogy of the iron(III)-arsenate(V) precipitates produced during the raffinate (aqueous effluent) neutralization process at the McClean Lake uranium mill in northern Saskatchewan, Canada. To facilitate the structural characterization of the precipitated solids derived from the neutralized raffinate, a set of reference compounds were synthesized and analyzed. The reference compounds include crystalline scorodite, poorly-crystalline scorodite, iron(III)-arsenate co-precipitates obtained under different pH conditions, and arsenate-adsorbed on goethite. The poorly-crystalline scorodite (prepared at pH 4 with Fe/As = 1) has similar As local structure as that of crystalline scorodite. Both As and Femore » K-edge XAFS of poorly-crystalline scorodite yield consistent results on As-Fe (or Fe-As) shell. From As K-edge analysis the As-Fe shell has an inter-atomic distance of 3.33 ± 0.02 Å and coordination number of 3.2; while from Fe K-edge analysis the Fe-As distance and coordination number are 3.31 ± 0.02 Å and 3.8, respectively. These are in contrast with the typical arsenate adsorption on bidentate binuclear sites on goethite surfaces, where the As-Fe distance is 3.26 ± 0.03 Å and coordination number is close to 2. A similar local structure identified in the poorly-crystalline scorodite is also found in co-precipitation solids (Fe(III)/As(V) = 3) when precipitated at the same pH (pH = 4): As-Fe distance 3.30 ± 0.03 Å and coordination number 3.9; while at pH = 8 the co-precipitate has As-Fe distance of 3.27 ± 0.03 Å and coordination number about 2, resembling more closely the adsorption case. The As local structure in the two neutralized raffinate solid series (precipitated at pH values up to 7) closely resembles that in the poorly-crystalline scorodite. All of the raffinate solids have the same As-Fe inter-atomic distance as that in the poorly-crystalline scorodite, and a systematic

  4. Structural Studies of E. coli Topoisomerase III-DNA Complexes Reveal A Novel Type IA Topoisomerase-DNA Conformational Intermediate

    PubMed Central

    Changela, Anita; DiGate, Russell J.; Mondragón, Alfonso

    2007-01-01

    Summary E. coli DNA topoisomerase III belongs to the type IA family of DNA topoisomerases, which transiently cleave single-stranded DNA (ssDNA) via a 5′ phosphotyrosine intermediate. We have solved crystal structures of wild-type E. coli topoisomerase III bound to an 8-base ssDNA molecule in three different pH environments. The structures reveal the enzyme in three distinct conformational states while bound to DNA. One conformation resembles the one observed previously with a DNA-bound, catalytically inactive mutant of topoisomerase III where DNA binding realigns catalytic residues to form a functional active site. Another conformation represents a novel intermediate in which DNA is bound along the ssDNA-binding groove but does not enter the active site, which remains in a catalytically inactive, closed state. A third conformation shows an intermediate state where the enzyme is still in a closed state, but the ssDNA is starting to invade the active site. For the first time, the active site region in the presence of both the catalytic tyrosine and ssDNA substrate is revealed for a type IA DNA topoisomerase, although there is no evidence of ssDNA cleavage. Comparative analysis of the various conformational states suggests a sequence of domain movements undertaken by the enzyme upon substrate binding. PMID:17331537

  5. Nonlinear constitutive theory for turbine engine structural analysis

    NASA Technical Reports Server (NTRS)

    Thompson, R. L.

    1982-01-01

    A number of viscoplastic constitutive theories and a conventional constitutive theory are evaluated and compared in their ability to predict nonlinear stress-strain behavior in gas turbine engine components at elevated temperatures. Specific application of these theories is directed towards the structural analysis of combustor liners undergoing transient, cyclic, thermomechanical load histories. The combustor liner material considered in this study is Hastelloy X. The material constants for each of the theories (as a function of temperature) are obtained from existing, published experimental data. The viscoplastic theories and a conventional theory are incorporated into a general purpose, nonlinear, finite element computer program. Several numerical examples of combustor liner structural analysis using these theories are given to demonstrate their capabilities. Based on the numerical stress-strain results, the theories are evaluated and compared.

  6. Advanced fabrication techniques for hydrogen-cooled engine structures

    NASA Technical Reports Server (NTRS)

    Buchmann, O. A.; Arefian, V. V.; Warren, H. A.; Vuigner, A. A.; Pohlman, M. J.

    1985-01-01

    Described is a program for development of coolant passage geometries, material systems, and joining processes that will produce long-life hydrogen-cooled structures for scramjet applications. Tests were performed to establish basic material properties, and samples constructed and evaluated to substantiate fabrication processes and inspection techniques. Results of the study show that the basic goal of increasing the life of hydrogen-cooled structures two orders of magnitude relative to that of the Hypersonic Research Engine can be reached with available means. Estimated life is 19000 cycles for the channels and 16000 cycles for pin-fin coolant passage configurations using Nickel 201. Additional research is required to establish the fatigue characteristics of dissimilar-metal coolant passages (Nickel 201/Inconel 718) and to investigate the embrittling effects of the hydrogen coolant.

  7. Synthetic investigation of binary-ternary Cr(III)-hydroxycarboxylic acid-aromatic chelator systems. Structure-specific influence on adipogenic biomarkers linked to insulin mimesis.

    PubMed

    Tsave, O; Gabriel, C; Kafantari, M; Yavropoulou, M; Yovos, J G; Raptopoulou, C P; Psycharis, V; Terzis, A; Mateescu, C; Salifoglou, A

    2018-07-01

    In an attempt to understand the aqueous interactions of Cr(III) with low-molecular mass physiological ligands and examine its role as an adipogenic metallodrug agent in Diabetes mellitus II, the pH-specific synthesis in the binary-ternary Cr(III)-(HA = hydroxycarboxylic acid)-(N,N)-aromatic chelator (AC) (HA = 2-hydroxyethyl iminodiacetic acid/heidaH 2 , quinic acid; AC = 1,10-phenanthroline/phen) systems was pursued, leading to four new crystalline compounds. All materials were characterized by elemental analysis, UV-Visible, FT-IR, and ESI-MS spectroscopy, cyclic voltammetry, and X-Ray crystallography. Concurrently, the aqueous speciation of the binary Cr(III)-(2-hydroxyethyl iminodiacetic acid) system, complemented by ESI-MS, provided key-details of the species in solution correlating with the solid-state species. The structurally distinct Cr(III) soluble species were subsequently used in an in vitro investigation of their cytotoxic activity in 3T3-L1 fibroblast cultures. Compound 1 exhibited solubility, bioavailability, and atoxicity over a wide concentration range (0.1-100 μΜ) in contrast to 3, which was toxic. The adipogenic potential of 1 was subsequently investigated toward transformation of pre-adipocytes into mature adipocytes. Confirmation of that capacity relied on molecular biological techniques a) involving genes (glucose transporter type 4, peroxisome proliferator-activated receptor gamma, glucokinase, and adiponectin) serving as sensors of the transformation process, b) comparing the Cr(III)-adipogenicity potential to that of insulin, and c) exemplifying the ultimate maturity of adipocytes poised to catabolize glucose. The collective effort points out salient structural features in the coordination sphere of Cr(III) inducing adipogenic transformation relevant to combating hyperglycemia. The multiply targeted mechanistic insight into such a process exemplifies the role of well-defined Cr(III) complex forms as potential insulin

  8. Comparison of Wechsler Memory Scale-Fourth Edition (WMS-IV) and Third Edition (WMS-III) dimensional structures: improved ability to evaluate auditory and visual constructs.

    PubMed

    Hoelzle, James B; Nelson, Nathaniel W; Smith, Clifford A

    2011-03-01

    Dimensional structures underlying the Wechsler Memory Scale-Fourth Edition (WMS-IV) and Wechsler Memory Scale-Third Edition (WMS-III) were compared to determine whether the revised measure has a more coherent and clinically relevant factor structure. Principal component analyses were conducted in normative samples reported in the respective technical manuals. Empirically supported procedures guided retention of dimensions. An invariant two-dimensional WMS-IV structure reflecting constructs of auditory learning/memory and visual attention/memory (C1 = .97; C2 = .96) is more theoretically coherent than the replicable, heterogeneous WMS-III dimension (C1 = .97). This research suggests that the WMS-IV may have greater utility in identifying lateralized memory dysfunction.

  9. An overview of reliability assessment and control for design of civil engineering structures

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Field, R.V. Jr.; Grigoriadis, K.M.; Bergman, L.A.

    1998-06-01

    Random variations, whether they occur in the input signal or the system parameters, are phenomena that occur in nearly all engineering systems of interest. As a result, nondeterministic modeling techniques must somehow account for these variations to ensure validity of the solution. As might be expected, this is a difficult proposition and the focus of many current research efforts. Controlling seismically excited structures is one pertinent application of nondeterministic analysis and is the subject of the work presented herein. This overview paper is organized into two sections. First, techniques to assess system reliability, in a context familiar to civil engineers,more » are discussed. Second, and as a consequence of the first, active control methods that ensure good performance in this random environment are presented. It is the hope of the authors that these discussions will ignite further interest in the area of reliability assessment and design of controlled civil engineering structures.« less

  10. Development of a C3-symmetric benzohydroxamate tripod: Trimetallic complexation with Fe(III), Cr(III) and Al(III)

    NASA Astrophysics Data System (ADS)

    Baral, Minati; Gupta, Amit; Kanungo, B. K.

    2016-06-01

    The design, synthesis and physicochemical characterization of a C3-symmetry Benzene-1,3,5-tricarbonylhydroxamate tripod, noted here as BTHA, are described. The chelator was built from a benzene as an anchor, symmetrically extended by three hydroxamate as ligating moieties, each bearing O, O donor sites. A combination of absorption spectrophotometry, potentiometry and theoretical investigations are used to explore the complexation behavior of the ligand with some trivalent metal ions: Fe(III), Cr(III), and Al(III). Three protonation constants were calculated for the ligand in a pH range of 2-11 in a highly aqueous medium (9:1 H2O: DMSO). A high rigidity in the molecular structure restricts the formation of 1:1 (M/L) metal encapsulation but shows a high binding efficiency for a 3:1 metal ligand stoichiometry giving formation constant (in β unit) 28.73, 26.13 and 19.69 for [M3L]; Mdbnd Fe(III), Al(III) and Cr(III) respectively, and may be considered as an efficient Fe-carrier. The spectrophotometric study reveals of interesting electronic transitions occurred during the complexation. BTHA exhibits a peak at 238 nm in acidic pH and with the increase of pH, a new peak appeared at 270 nm. A substantial shifting in both of the peaks in presence of the metal ions implicates a s coordination between ligand and metal ions. Moreover, complexation of BTHA with iron shows three distinct colors, violet, reddish orange and yellow in different pH, enables the ligand to be considered for the use as colorimetric sensor.

  11. Conserving intertidal habitats: What is the potential of ecological engineering to mitigate impacts of coastal structures?

    NASA Astrophysics Data System (ADS)

    Perkins, Matthew J.; Ng, Terence P. T.; Dudgeon, David; Bonebrake, Timothy C.; Leung, Kenneth M. Y.

    2015-12-01

    Globally, coastlines are under pressure as coastal human population growth and urbanization continues, while climatic change leads to stormier seas and rising tides. These trends create a strong and sustained demand for land reclamation and infrastructure protection in coastal areas, requiring engineered coastal defence structures such as sea walls. Here, we review the nature of ecological impacts of coastal structures on intertidal ecosystems, seek to understand the extent to which ecological engineering can mitigate these impacts, and evaluate the effectiveness of mitigation as a tool to contribute to conservation of intertidal habitats. By so doing, we identify critical knowledge gaps to inform future research. Coastal structures alter important physical, chemical and biological processes of intertidal habitats, and strongly impact community structure, inter-habitat linkages and ecosystem services while also driving habitat loss. Such impacts occur diffusely across localised sites but scale to significant regional and global levels. Recent advances in ecological engineering have focused on developing habitat complexity on coastal structures to increase biodiversity. 'Soft' engineering options maximise habitat complexity through inclusion of natural materials, species and processes, while simultaneously delivering engineering objectives such as coastal protection. Soft options additionally sustain multiple services, providing greater economic benefits for society, and resilience to climatic change. Currently however, a lack of inclusion and economic undervaluation of intertidal ecosystem services may undermine best practice in coastline management. Importantly, reviewed evidence shows mitigation and even restoration do not support intertidal communities or processes equivalent to pre-disturbance conditions. Crucially, an absence of comprehensive empirical baseline biodiversity data, or data comprising additional ecological parameters such as ecosystem functions

  12. Civil engineering reference guide

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Merritt, F.S.

    1986-01-01

    The civil engineering reference guide contains the following: Structural theory. Structural steel design. Concrete design and construction. Wood design and construction. Bridge engineering. Geotechnical engineering. Water engineering. Environmental engineering. Surveying.

  13. Applications of GIFTS III to Structural Engineering Problems.

    DTIC Science & Technology

    The paper describes the latest version of the GIFTS SYSTEM (Graphics Oriented Interactive Finite Element Package for Time-Sharing), due for release...at the end of March 1976. The paper gives a description of the program modules available in the GIFTS library and the options available within its...framework. Examples are given to demonstrate the use of GIFTS in design-oriented applications. Some performance measurements are included. Amongst the

  14. Quantitative description and local structures of trivalent metal ions Eu(III) and Cm(III) complexed with polyacrylic acid.

    PubMed

    Montavon, G; Bouby, M; Huclier-Markai, S; Grambow, B; Geckeis, H; Rabung, T; Pashalidis, I; Amekraz, B; Moulin, C

    2008-11-15

    The trivalent metal ion (M(III)=Cm, Eu)/polyacrylic acid (PAA) system was studied in the pH range between 3 and 5.5 for a molar PAA-to-metal ratio above 1. The interaction was studied for a wide range of PAA (0.05 mg L(-1)-50 g L(-1)) and metal ion concentrations (2x10(-9)-10(-3) M). This work aimed at 3 goals (i) to determine the stoichiometry of M(III)-PAA complexes, (ii) to determine the number of complexed species and the local environment of the metal ion, and (iii) to quantify the reaction processes. Asymmetric flow-field-flow fractionation (AsFlFFF) coupled to ICP-MS evidenced that size distributions of Eu-PAA complexes and PAA were identical, suggesting that Eu bound to only one PAA chain. Time-resolved laser fluorescence spectroscopy (TRLFS) measurements performed with Eu and Cm showed a continuous shift of the spectra with increasing pH. The environment of complexed metal ions obviously changes with pH. Most probably, spectral variations arose from conformational changes within the M(III)-PAA complex due to pH variation. Complexation data describing the distribution of complexed and free metal ion were measured with Cm by TRLFS. They could be quantitatively described in the whole pH-range studied by considering the existence of only a single complexed species. This indicates that the slight changes in M(III) speciation with pH observed at the molecular level do not significantly affect the intrinsic binding constant. The interaction constant obtained from the modelling must be considered as a mean interaction constant.

  15. Effect of structural flexibility on the design of vibration-isolating mounts for aircraft engines

    NASA Technical Reports Server (NTRS)

    Phillips, W. H.

    1984-01-01

    Previous analyses of the design of vibration-isolating mounts for a rear-mounted engine to decouple linear and rotational oscillations are extended to take into account flexibility of the engine-mount structure. Equations and curves are presented to allow the design of mount systems and to illustrate the results for a range of design conditions.

  16. Redox non-innocence of thioether crowns: spectroelectrochemistry and electronic structure of formal nickel(III) complexes of aza-thioether macrocycles.

    PubMed

    Stephen, Emma; Huang, Deguang; Shaw, Jennifer L; Blake, Alexander J; Collison, David; Davies, E Stephen; Edge, Ruth; Howard, Judith A K; McInnes, Eric J L; Wilson, Claire; Wolowska, Joanna; McMaster, Jonathan; Schröder, Martin

    2011-09-05

    The Ni(II) complexes [Ni([9]aneNS(2)-CH(3))(2)](2+) ([9]aneNS(2)-CH(3)=N-methyl-1-aza-4,7-dithiacyclononane), [Ni(bis[9]aneNS(2)-C(2)H(4))](2+) (bis[9]aneNS(2)-C(2)H(4)=1,2-bis-(1-aza-4,7-dithiacyclononylethane) and [Ni([9]aneS(3))(2)](2+) ([9]aneS(3)=1,4,7-trithiacyclononane) have been prepared and can be electrochemically and chemically oxidized to give the formal Ni(III) products, which have been characterized by X-ray crystallography, UV/Vis and multi-frequency EPR spectroscopy. The single-crystal X-ray structure of [Ni(III)([9]aneNS(2)-CH(3))(2)](ClO(4))(6)·(H(5)O(2))(3) reveals an octahedral co-ordination at the Ni centre, while the crystal structure of [Ni(III)(bis[9]aneNS(2)-C(2)H(4))](ClO(4))(6)·(H(3)O)(3)·3H(2)O exhibits a more distorted co-ordination. In the homoleptic analogue, [Ni(III)([9]aneS(3))(2)](ClO(4))(3), structurally characterized at 30 K, the Ni-S distances [2.249(6), 2.251(5) and 2.437(2) Å] are consistent with a Jahn-Teller distorted octahedral stereochemistry. [Ni([9]aneNS(2)-CH(3))(2)](PF(6))(2) shows a one-electron oxidation process in MeCN (0.2 M NBu(4)PF(6), 293 K) at E(½)=+1.10 V versus Fc(+)/Fc assigned to a formal Ni(III)/Ni(II) couple. [Ni(bis[9]aneNS(2)-C(2)H(4))](PF(6))(2) exhibits a one-electron oxidation process at E(½)=+0.98 V and a reduction process at E(½)=-1.25 V assigned to Ni(II)/Ni(III) and Ni(II)/Ni(I) couples, respectively. The multi-frequency X-, L-, S-, K-band EPR spectra of the 3+ cations and their 86.2% (61)Ni-enriched analogues were simulated. Treatment of the spin Hamiltonian parameters by perturbation theory reveals that the SOMO has 50.6%, 42.8% and 37.2% Ni character in [Ni([9]aneNS(2)-CH(3))(2)](3+), [Ni(bis[9]aneNS(2)-C(2)H(4))](3+) and [Ni([9]aneS(3))(2)](3+), respectively, consistent with DFT calculations, and reflecting delocalisation of charge onto the S-thioether centres. EPR spectra for [(61)Ni([9]aneS(3))(2)](3+) are consistent with a dynamic Jahn-Teller distortion in this compound. Copyright

  17. Spectroscopic and quantum chemical study of the structure of a new paramagnetic dimeric palladium(II,III) complex with creatine

    NASA Astrophysics Data System (ADS)

    Mitewa, Mariana; Enchev, Venelin; Bakalova, Tatyana

    2002-05-01

    The structure and coordination mode of the newly synthesized dimeric paramagnetic Pd(II,III) complex are studied using magneto-chemical, EPR and IR spectroscopic methods. In order to perform reliable assignment of the IR bands, the structure and IR spectrum of the free creatine were calculated using ab initio method. For calculation of the configuration of its deprotonated and doubly deprotonated forms the semiempirical AM1 method was used.

  18. Aerosol Optical Depth Measurements by Airborne Sun Photometer in SOLVE II: Comparisons to SAGE III, POAM III and Airborne Spectrometer Measurements

    NASA Technical Reports Server (NTRS)

    Russell, P.; Livingston, J.; Schmid, B.; Eilers, J.; Kolyer, R.; Redemann, J.; Ramirez, S.; Yee, J-H.; Swartz, W.; Shetter, R.

    2004-01-01

    The 14-channel NASA Ames Airborne Tracking Sunphotometer (AATS-14) measured solar-beam transmission on the NASA DC-8 during the Second SAGE III Ozone Loss and Validation Experiment (SOLVE II). This paper presents AATS-14 results for multiwavelength aerosol optical depth (AOD), including its spatial structure and comparisons to results from two satellite sensors and another DC-8 instrument. These are the Stratospheric Aerosol and Gas Experiment III (SAGE III), the Polar Ozone and Aerosol Measurement III (POAM III) and the Direct beam Irradiance Airborne Spectrometer (DIAS).

  19. Advanced stress analysis methods applicable to turbine engine structures

    NASA Technical Reports Server (NTRS)

    Pian, T. H. H.

    1985-01-01

    Advanced stress analysis methods applicable to turbine engine structures are investigated. Constructions of special elements which containing traction-free circular boundaries are investigated. New versions of mixed variational principle and version of hybrid stress elements are formulated. A method is established for suppression of kinematic deformation modes. semiLoof plate and shell elements are constructed by assumed stress hybrid method. An elastic-plastic analysis is conducted by viscoplasticity theory using the mechanical subelement model.

  20. Can Cr( iii ) substitute for Al( iii ) in the structure of boehmite?

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Chatterjee, Sayandev; Conroy, Michele A.; Smith, Frances N.

    2016-01-01

    The dissolution of boehmite is a technical issue for the Al industry because of its recalcitrant nature. In fact, a similar problem exists with boehmite in nuclear waste sludge at the Hanford site in eastern Washington State, USA. Dissolution of Al phases is required to reduce the waste loadings in the final borosilicate glass waste form. Although not the most common Al-bearing species in the sludge, boehmite may become a rate limiting step in the processing of the wastes. Hanford boehmite is an order of magnitude more resistant to dissolution in hot caustic solutions than expected from surface-normalized rates. Wemore » are exploring potential intrinsic and extrinsic effects that may limit boehmite reactivity; one clue comes from microstructural analyses that indicate an association of Cr with Al in the Hanford nuclear waste. Hence, in this first paper, we investigated the potential role of chromium on the reactivity of boehmite in caustic solution. An important finding was that irrespective of the synthesis pathway, amount of Cr(III), or the resultant morphology, there was no evidence for Cr incorporation in the bulk structure, in agreement with QM calculations. In fact, electron microscopic (EM) and spectroscopic analyses showed that Cr was enriched at the (101) edges of the boehmite. However, Cr had no measurable effect on the morphology during the synthesis step. In contrast, comparison of the morphologies of the synthetic Cr-doped and pure boehmite samples after exposure to caustic solutions provided evidence that Cr inhibited the corrosion. TEM showed that Cr was not homogeneously distributed at the surface. Consequently, Cr may have partially passivated the surface by blocking discrete energetic sites on the lateral surfaces of boehmite.« less

  1. Crystal structure of the Csm3-Csm4 subcomplex in the type III-A CRISPR-Cas interference complex.

    PubMed

    Numata, Tomoyuki; Inanaga, Hideko; Sato, Chikara; Osawa, Takuo

    2015-01-30

    Clustered, regularly interspaced, short palindromic repeat (CRISPR) loci play a pivotal role in the prokaryotic host defense system against invading genetic materials. The CRISPR loci are transcribed to produce CRISPR RNAs (crRNAs), which form interference complexes with CRISPR-associated (Cas) proteins to target the invading nucleic acid for degradation. The interference complex of the type III-A CRISPR-Cas system is composed of five Cas proteins (Csm1-Csm5) and a crRNA, and targets invading DNA. Here, we show that the Csm1, Csm3, and Csm4 proteins from Methanocaldococcus jannaschii form a stable subcomplex. We also report the crystal structure of the M. jannaschii Csm3-Csm4 subcomplex at 3.1Å resolution. The complex structure revealed the presence of a basic concave surface around their interface, suggesting the RNA and/or DNA binding ability of the complex. A gel retardation analysis showed that the Csm3-Csm4 complex binds single-stranded RNA in a non-sequence-specific manner. Csm4 structurally resembles Cmr3, a component of the type III-B CRISPR-Cas interference complex. Based on bioinformatics, we constructed a model structure of the Csm1-Csm4-Csm3 ternary complex, which provides insights into its role in the Csm interference complex. Copyright © 2014 Elsevier Ltd. All rights reserved.

  2. Recent advances on biological production of difructose dianhydride III.

    PubMed

    Zhu, Yingying; Yu, Shuhuai; Zhang, Wenli; Zhang, Tao; Guang, Cuie; Mu, Wanmeng

    2018-04-01

    Difructose dianhydride III (DFA III) is a cyclic difructose containing two reciprocal glycosidic linkages. It is easily generated with a small amount by sucrose caramelization and thus occurs in a wide range of food-stuffs during food processing. DFA III has half sweetness but only 1/15 energy of sucrose, showing potential industrial application as low-calorie sucrose substitute. In addition, it displays many benefits including prebiotic effect, low cariogenicity property, and hypocholesterolemic effect, and improves absorption of minerals, flavonoids, and immunoglobulin G. DFA III is biologically produced from inulin by inulin fructotransferase (IFTase, EC 4.2.2.18). Plenty of DFA III-producing enzymes have been identified. The crystal structure of inulin fructotransferase has been determined, and its molecular modification has been performed to improve the catalytic activity and structural stability. Large-scale production of DFA III has been studied by various IFTases, especially using an ultrafiltration membrane bioreactor. In this article, the recent findings on physiological effects of DFA III are briefly summarized; the research progresses on identification, expression, and molecular modification of IFTase and large-scale biological production of DFA III by IFTase are reviewed in detail.

  3. Design and Structure-Function Characterization of 3D Printed Synthetic Porous Biomaterials for Tissue Engineering.

    PubMed

    Kelly, Cambre N; Miller, Andrew T; Hollister, Scott J; Guldberg, Robert E; Gall, Ken

    2018-04-01

    3D printing is now adopted for use in a variety of industries and functions. In biomedical engineering, 3D printing has prevailed over more traditional manufacturing methods in tissue engineering due to its high degree of control over both macro- and microarchitecture of porous tissue scaffolds. However, with the improved flexibility in design come new challenges in characterizing the structure-function relationships between various architectures and both mechanical and biological properties in an assortment of clinical applications. Presently, the field of tissue engineering lacks a comprehensive body of literature that is capable of drawing meaningful relationships between the designed structure and resulting function of 3D printed porous biomaterial scaffolds. This work first discusses the role of design on 3D printed porous scaffold function and then reviews characterization of these structure-function relationships for 3D printed synthetic metallic, polymeric, and ceramic biomaterials. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Periodontal ligament cellular structures engineered with electrospun poly(DL-lactide-co-glycolide) nanofibrous membrane scaffolds.

    PubMed

    Inanç, Bülend; Arslan, Y Emre; Seker, Sükran; Elçin, A Eser; Elçin, Y Murat

    2009-07-01

    Periodontal tissue engineering is expected to overcome the limitations associated with the existing regenerative techniques for the treatment of periodontal defects involving alveolar bone, cementum, and periodontal ligament. Cell-based tissue engineering approaches involve the utilization of in vitro expanded cells with regenerative capacity and their delivery to the appropriate sites via biomaterial scaffolds. The aim of this study was to establish living periodontal ligament cell-containing structures on electrospun poly(DL-lactic-co-glycolic acid) (PLGA) nanofiber membrane scaffolds, assess their viability and characteristics, and engineer multilayered structures amenable to easy handling. Human periodontal ligament (hPDL) cells were expanded in explant culture and then characterized morphologically and immunohistochemically. PLGA nanofiber membranes were prepared by the electrospinning process; mechanical tensile properties were determined, surface topography, nanofiber size, and porosity status were investigated with SEM. Cells were seeded on the membranes at approximately 50,000 cell/cm(2) and cultured for 21 days either in expansion or in osteogenic induction medium. Cell adhesion and viability were demonstrated using SEM and MTT, respectively, and osteogenic differentiation was determined with IHC and immunohistomorphometric evaluation of osteopontin, osteocalcin, and bone sialoprotein marker expression. At days 3, 6, 9, and 12 additional cell/membrane layers were deposited on the existing ones and multilayered hybrid structures were established. Results indicate the feasibility of periodontal ligament cell-containing tissue-like structures engineering with PDL cells and electrospun nanofiber PLGA scaffolds supporting cell adhesion, viability and osteogenic differentiation properties of cells in hybrid structures amenable to macroscopic handling.

  5. The structural approach to shared knowledge: an application to engineering design teams.

    PubMed

    Avnet, Mark S; Weigel, Annalisa L

    2013-06-01

    We propose a methodology for analyzing shared knowledge in engineering design teams. Whereas prior work has focused on shared knowledge in small teams at a specific point in time, the model presented here is both scalable and dynamic. By quantifying team members' common views of design drivers, we build a network of shared mental models to reveal the structure of shared knowledge at a snapshot in time. Based on a structural comparison of networks at different points in time, a metric of change in shared knowledge is computed. Analysis of survey data from 12 conceptual space mission design sessions reveals a correlation between change in shared knowledge and each of several system attributes, including system development time, system mass, and technological maturity. From these results, we conclude that an early period of learning and consensus building could be beneficial to the design of engineered systems. Although we do not examine team performance directly, we demonstrate that shared knowledge is related to the technical design and thus provide a foundation for improving design products by incorporating the knowledge and thoughts of the engineering design team into the process.

  6. On the structure and spin states of Fe(III)-EDDHA complexes.

    PubMed

    Gómez-Gallego, Mar; Fernández, Israel; Pellico, Daniel; Gutiérrez, Angel; Sierra, Miguel A; Lucena, Juan J

    2006-07-10

    DFT methods are suitable for predicting both the geometries and spin states of EDDHA-Fe(III) complexes. Thus, extensive DFT computational studies have shown that the racemic-Fe(III) EDDHA complex is more stable than the meso isomer, regardless of the spin state of the central iron atom. A comparison of the energy values obtained for the complexes under study has also shown that high-spin (S = 5/2) complexes are more stable than low-spin (S = 1/2) ones. These computational results matched the experimental results of the magnetic susceptibility values of both isomers. In both cases, their behavior has been fitted as being due to isolated high-spin Fe(III) in a distorted octahedral environment. The study of the correlation diagram also confirms the high-spin iron in complex 2b. The geometry optimization of these complexes performed with the standard 3-21G* basis set for hydrogen, carbon, oxygen, and nitrogen and the Hay-Wadt small-core effective core potential (ECP) including a double-xi valence basis set for iron, followed by single-point energy refinement with the 6-31G* basis set, is suitable for predicting both the geometries and the spin-states of EDDHA-Fe(III) complexes. The presence of a high-spin iron in Fe(III)-EDDHA complexes could be the key to understanding their lack of reactivity in electron-transfer processes, either chemically or electrochemically induced, and their resistance to photodegradation.

  7. Magnetic Nature of the CrIII-LnIII Interactions in [CrIII2LnIII3] Clusters with Slow Magnetic Relaxation.

    PubMed

    Zhao, Xiao-Qing; Xiang, Shuo; Wang, Jin; Bao, Dong-Xu; Li, Yun-Chun

    2018-02-01

    Two 3 d -4 f hetero-metal pentanuclear complexes with the formula {[Cr III 2 Ln III 3 L 10 (OH) 6 (H 2 O) 2 ]Et 3 NH} [Ln=Tb ( 1 ), Dy ( 2 ); HL=pivalic acid, Et 3 N=triethylamine] have been produced. The metal core of each cluster is made up of a trigonal bipyramid with three Ln III ions (plane) and two Cr III ions (above and below) held together by six μ 3 -OH bridges. Also reported with this series is the diamagnetic Cr III -Y III analogue ( 3 ). Fortunately, we successfully prepared Al III -Ln III analogues with the formula {[Al III 2 Ln III 3 L 10 (OH) 6 (H 2 O) 2 ]Et 3 NH⋅H 2 O} [Ln=Tb ( 4 ), Dy ( 5 )], containing diamagnetic Al III ions, which can be used to evaluate the Cr III -Ln III magnetic nature through a diamagnetic substitution method. Subsequently, static (dc) magnetic susceptibility studies reveal dominant ferromagnetic interactions between Cr III and Ln III ions. Dynamic (ac) magnetic susceptibility studies show frequency-dependent out-of-phase ( χ '') signals for [Cr III 2 Tb III 3 ] ( 1 ), [Cr III 2 Dy III 3 ] ( 2 ), and [Al III 2 Dy III 3 ] ( 5 ), which are derived from the single-ion behavior of Ln III ions and/or the Cr III -Ln III ferromagnetic interactions.

  8. Role of structural noise in aircraft pressure cockpit from vibration action of new-generation engines

    NASA Astrophysics Data System (ADS)

    Baklanov, V. S.

    2016-07-01

    The evolution of new-generation aircraft engines is transitioning from a bypass ratio of 4-6 to an increased ratio of 8-12. This is leading to substantial broadening of the vibration spectrum of engines with a shift to the low-frequency range due to decreased rotation speed of the fan rotor, in turn requiring new solutions to decrease structural noise from engine vibrations to ensure comfort in the cockpits and cabins of aircraft.

  9. Molecular architectures of benzoic acid-specific type III polyketide synthases

    PubMed Central

    Stewart, Charles; Woods, Kate; Macias, Greg; Allan, Andrew C.; Noel, Joseph P.

    2017-01-01

    Biphenyl synthase and benzophenone synthase constitute an evolutionarily distinct clade of type III polyketide synthases (PKSs) that use benzoic acid-derived substrates to produce defense metabolites in plants. The use of benzoyl-CoA as an endogenous substrate is unusual for type III PKSs. Moreover, sequence analyses indicate that the residues responsible for the functional diversification of type III PKSs are mutated in benzoic acid-specific type III PKSs. In order to gain a better understanding of structure–function relationships within the type III PKS family, the crystal structures of biphenyl synthase from Malus × domestica and benzophenone synthase from Hypericum androsaemum were compared with the structure of an archetypal type III PKS: chalcone synthase from Malus × domestica. Both biphenyl synthase and benzophenone synthase contain mutations that reshape their active-site cavities to prevent the binding of 4-coumaroyl-CoA and to favor the binding of small hydrophobic substrates. The active-site cavities of biphenyl synthase and benzophenone synthase also contain a novel pocket associated with their chain-elongation and cyclization reactions. Collectively, these results illuminate structural determinants of benzoic acid-specific type III PKSs and expand the understanding of the evolution of specialized metabolic pathways in plants. PMID:29199980

  10. Pre-Service Science Teachers' Cognitive Structures Regarding Science, Technology, Engineering, Mathematics (STEM) and Science Education

    ERIC Educational Resources Information Center

    Hacioglu, Yasemin; Yamak, Havva; Kavak, Nusret

    2016-01-01

    The aim of this study is to reveal pre-service science teachers' cognitive structures regarding Science, Technology, Engineering, Mathematics (STEM) and science education. The study group of the study consisted of 192 pre-service science teachers. A Free Word Association Test (WAT) consisting of science, technology, engineering, mathematics and…

  11. Effects of Structural Deformations of the Crank-Slider Mechanism on the Estimation of the Instantaneous Engine Friction Torque

    NASA Astrophysics Data System (ADS)

    CHALHOUB, N. G.; NEHME, H.; HENEIN, N. A.; BRYZIK, W.

    1999-07-01

    The focus on the current study is to assess the effects of structural deformations of the crankshaft/connecting-rod/piston mechanism on the computation of the instantaneous engine friction torque. This study is performed in a fully controlled environment in order to isolate the effects of structural deformations from those of measurement errors or noise interference. Therefore, a detailed model, accounting for the rigid and flexible motions of the crank-slider mechanism and including engine component friction formulations, is considered in this study. The model is used as a test bed to generate the engine friction torque,Tfa, and to predict the rigid and flexible motions of the system in response to the cylinder gas pressure. The torsional vibrations and the rigid body angular velocity of the crankshaft, as predicted by the detailed model of the crank-slider mechanism, are used along with the engine load torque and the cylinder gas pressure in the (P-ω) method to estimate the engine friction torque,Tfe. This method is well suited for the purpose of this study because its formulation is based on the rigid body model of the crank-slider mechanism. The digital simulation results demonstrate that the exclusion of the structural deformations of the crank-slider mechanism from the formulation of the (P-ω) method leads to an overestimation of the engine friction torque near the top-dead-center (TDC) position of the piston under firing conditions. Moreover, for the remainder of the engine cycle, the estimated friction torque exhibits large oscillations and takes on positive numerical values as if it is inducing energy into the system. Thus, the adverse effects of structural deformations of the crank-slider mechanism on the estimation of the engine friction torque greatly differ in their nature from one phase of the engine cycle to another.

  12. Molecular structure of photosynthetic microbial biofuels for improved engine combustion and emissions characteristics.

    PubMed

    Hellier, Paul; Purton, Saul; Ladommatos, Nicos

    2015-01-01

    The metabolic engineering of photosynthetic microbes for production of novel hydrocarbons presents an opportunity for development of advanced designer biofuels. These can be significantly more sustainable, throughout the production-to-consumption lifecycle, than the fossil fuels and crop-based biofuels they might replace. Current biofuels, such as bioethanol and fatty acid methyl esters, have been developed primarily as drop-in replacements for existing fossil fuels, based on their physical properties and autoignition characteristics under specific combustion regimes. However, advances in the genetic engineering of microalgae and cyanobacteria, and the application of synthetic biology approaches offer the potential of designer strains capable of producing hydrocarbons and oxygenates with specific molecular structures. Furthermore, these fuel molecules can be designed for higher efficiency of energy release and lower exhaust emissions during combustion. This paper presents a review of potential fuel molecules from photosynthetic microbes and the performance of these possible fuels in modern internal combustion engines, highlighting which modifications to the molecular structure of such fuels may enhance their suitability for specific combustion regimes.

  13. Molecular Structure of Photosynthetic Microbial Biofuels for Improved Engine Combustion and Emissions Characteristics

    PubMed Central

    Hellier, Paul; Purton, Saul; Ladommatos, Nicos

    2015-01-01

    The metabolic engineering of photosynthetic microbes for production of novel hydrocarbons presents an opportunity for development of advanced designer biofuels. These can be significantly more sustainable, throughout the production-to-consumption lifecycle, than the fossil fuels and crop-based biofuels they might replace. Current biofuels, such as bioethanol and fatty acid methyl esters, have been developed primarily as drop-in replacements for existing fossil fuels, based on their physical properties and autoignition characteristics under specific combustion regimes. However, advances in the genetic engineering of microalgae and cyanobacteria, and the application of synthetic biology approaches offer the potential of designer strains capable of producing hydrocarbons and oxygenates with specific molecular structures. Furthermore, these fuel molecules can be designed for higher efficiency of energy release and lower exhaust emissions during combustion. This paper presents a review of potential fuel molecules from photosynthetic microbes and the performance of these possible fuels in modern internal combustion engines, highlighting which modifications to the molecular structure of such fuels may enhance their suitability for specific combustion regimes. PMID:25941673

  14. Heterogeneity in iota-carrageenan molecular structure: insights for polymorph II→III transition in the presence of calcium ions

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Janaswamy, Srinivas; Chandrasekaran, Rengaswami

    2008-06-24

    Iota-carrageenan is used in pharmaceutical and food applications due to its ability to complex with other hydrocolloids and proteins. Six distinct cation dependent allomorphs, consistent with its versatile functionality, have so far been observed in the solid state. In this contribution, X-ray structural details of calcium iota-carrageenan (form III) are reported. The polysaccharide retains the half-staggered, parallel, 3-fold, right-handed double helix stabilized by interchain hydrogen bonds from O-2H and O-6H in the Galp units. Results show that there are four helices, rather than one in I or three in II, organized in a larger pseudo-trigonal unit cell of dimensions a=27.44,more » c=13.01 A, and gamma=120 degrees . The four helices have similar core structures, but their sulfate group orientations are quite different. Fifteen calcium ions and 64 water molecules hold the helices together and promote helix-helix interactions. The results portray how the helices would shuffle around in an orchestrated manner to yield calcium iota-carrageenan III from II.« less

  15. Understanding the microcrystal tests of three related phenethylamines: the ortho-metallated (±)-amphetamine formed with gold(III) chloride, and the tetrachloridoaurate(III) salts of (+)-methamphetamine and (±)-ephedrine.

    PubMed

    Wood, Matthew R; Lalancette, Roger A

    2013-04-01

    The ortho-metallation product of the reaction of (±)-amphetamine with gold(III) chloride, [D,L-2-(2-aminopropyl)phenyl-κ(2)N,C(1)]dichloridogold(III), [Au(C9H12N)Cl2], and the two salts resulting from crystallization of (+)-methamphetamine with gold(III) chloride, D-methyl(1-phenylpropan-2-yl)azanium tetrachloridoaurate(III), (C10H16N)[AuCl4], and of (±)-ephedrine with gold(III) chloride, D,L-(1-hydroxy-1-phenylpropan-2-yl)(methyl)azanium tetrachloridoaurate(III), (C10H16NO)[AuCl4], have different structures. The first makes a bidentate complex directly with a dichloridogold(III) group, forming a six-membered ring structure; the second and third each form a salt with [AuCl4](-) (each has two formula units in the asymmetric unit). The organic components are all members of the same class of stimulants that are prevalent in illicit drug use. These structures are important contributions to the understanding of the microcrystal tests for these drugs that have been employed for well over 100 years.

  16. Methods for automated semantic definition of manufacturing structures (mBOM) in mechanical engineering companies

    NASA Astrophysics Data System (ADS)

    Stekolschik, Alexander, Prof.

    2017-10-01

    The bill of materials (BOM), which involves all parts and assemblies of the product, is the core of any mechanical or electronic product. The flexible and integrated management of engineering (Engineering Bill of Materials [eBOM]) and manufacturing (Manufacturing Bill of Materials [mBOM]) structures is the key to the creation of modern products in mechanical engineering companies. This paper presents a method framework for the creation and control of e- and, especially, mBOM. The requirements, resulting from the process of differentiation between companies that produce serialized or engineered-to-order products, are considered in the analysis phase. The main part of the paper describes different approaches to fully or partly automated creation of mBOM. The first approach is the definition of part selection rules in the generic mBOM templates. The mBOM can be derived from the eBOM for partly standardized products by using this method. Another approach is the simultaneous use of semantic rules, options, and parameters in both structures. The implementation of the method framework (selection of use cases) in a standard product lifecycle management (PLM) system is part of the research.

  17. Organometallic neptunium(III) complexes.

    PubMed

    Dutkiewicz, Michał S; Farnaby, Joy H; Apostolidis, Christos; Colineau, Eric; Walter, Olaf; Magnani, Nicola; Gardiner, Michael G; Love, Jason B; Kaltsoyannis, Nikolas; Caciuffo, Roberto; Arnold, Polly L

    2016-08-01

    Studies of transuranic organometallic complexes provide a particularly valuable insight into covalent contributions to the metal-ligand bonding, in which the subtle differences between the transuranium actinide ions and their lighter lanthanide counterparts are of fundamental importance for the effective remediation of nuclear waste. Unlike the organometallic chemistry of uranium, which has focused strongly on U(III) and has seen some spectacular advances, that of the transuranics is significantly technically more challenging and has remained dormant. In the case of neptunium, it is limited mainly to Np(IV). Here we report the synthesis of three new Np(III) organometallic compounds and the characterization of their molecular and electronic structures. These studies suggest that Np(III) complexes could act as single-molecule magnets, and that the lower oxidation state of Np(II) is chemically accessible. In comparison with lanthanide analogues, significant d- and f-electron contributions to key Np(III) orbitals are observed, which shows that fundamental neptunium organometallic chemistry can provide new insights into the behaviour of f-elements.

  18. Water-Free Rare Earth-Prussian Blue Type Analogues: Synthesis, Structure, Computational Analysis, and Magnetic Data of {Ln[superscript III](DMF)[subscript 6]Fe[superscript III](CN)[subcsript 6]}[subscript infinity] (Ln = Rare Earths Excluding Pm)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wilson, Duane C.; Liu, Shengming; Chen, Xuenian

    2009-11-04

    Water-free rare earth(III) hexacyanoferrate(III) complexes, {l_brace}Ln(DMF){sub 6}({mu}-CN){sub 2}Fe(CN){sub 4}{r_brace}{sub {infinity}} (DMF = N,N-dimethylformamide; Ln = Sm, 1; Eu, 2; Gd, 3; Tb, 4; Dy, 5; Ho, 6; Er, 7; Tm, 8; Yb, 9; Lu, 10; Y, 11; La, 12; Ce, 13; Pr, 14; Nd, 15), were synthesized in dry DMF through the metathesis reactions of [(18-crown-6)K]{sub 3}Fe(CN){sub 6} with LnX{sub 3}(DMF){sub n} (X = Cl or NO{sub 3}). Anhydrous DMF solutions of LnX{sub 3}(DMF){sub n} were prepared at room temperature from LnCl{sub 3} or LnX{sub 3} {center_dot} nH{sub 2}O under a dynamic vacuum. All compounds were characterized by IR, X-raymore » powder diffraction (except for 10), and single crystal X-ray diffraction (except for 2, 7, 10). Infrared spectra reveal that a monotonic, linear relationship exists between the ionic radius of the lanthanide and the {nu}{sub {mu}-CN} stretching frequency of 1-10, 12-15 while 11 deviates slightly from the ionic radius relationship. X-ray powder diffraction data are in agreement with powder patterns calculated from single crystal X-ray diffraction results, a useful alternative for bulk sample confirmation when elemental analysis data are difficult to obtain. Eight-coordinate Ln(III) metal centers are observed for all structures. trans-cyanide units of [Fe(CN){sub 6}]{sup 3-} formed isocyanide linkages to Ln(III) resulting in one-dimensional polymeric chains. Structures of compounds 1-9 and 11 are isomorphous, crystallizing in the space group C2/c. Structures of compounds 12-15 are also isomorphous, crystallizing in the space group P2/n. One unique polymeric chain exists in the structures of 1-9 and 11 while two unique polymeric chains exist in structures of 12-15. One of the polymeric chains of 12-15 is similar to that observed for 1-9, 11 while the other is more distorted and has a shorter Ln-Fe distance. Magnetic susceptibility measurements for compounds 3-6, 8, 11 were performed on polycrystalline samples of the compounds.« less

  19. Establishing Early Functional Perfusion and Structure in Tissue Engineered Cardiac Constructs

    PubMed Central

    Wang, Bo; Patnaik, Sourav S.; Brazile, Bryn; Butler, J. Ryan; Claude, Andrew; Zhang, Ge; Guan, Jianjun; Hong, Yi; Liao, Jun

    2016-01-01

    Myocardial infarction (MI) causes massive heart muscle death and remains a leading cause of death in the world. Cardiac tissue engineering aims to replace the infarcted tissues with functional engineered heart muscles or revitalize the infarcted heart by delivering cells, bioactive factors, and/or biomaterials. One major challenge of cardiac tissue engineering and regeneration is the establishment of functional perfusion and structure to achieve timely angiogenesis and effective vascularization, which are essential to the survival of thick implants and the integration of repaired tissue with host heart. In this paper, we review four major approaches to promoting angiogenesis and vascularization in cardiac tissue engineering and regeneration: delivery of pro-angiogenic factors/molecules, direct cell implantation/cell sheet grafting, fabrication of prevascularized cardiac constructs, and the use of bioreactors to promote angiogenesis and vascularization. We further provide a detailed review and discussion on the early perfusion design in nature-derived biomaterials, synthetic biodegradable polymers, tissue-derived acellular scaffolds/whole hearts, and hydrogel derived from extracellular matrix. A better understanding of the current approaches and their advantages, limitations, and hurdles could be useful for developing better materials for future clinical applications. PMID:27480586

  20. Establishing Early Functional Perfusion and Structure in Tissue Engineered Cardiac Constructs.

    PubMed

    Wang, Bo; Patnaik, Sourav S; Brazile, Bryn; Butler, J Ryan; Claude, Andrew; Zhang, Ge; Guan, Jianjun; Hong, Yi; Liao, Jun

    2015-01-01

    Myocardial infarction (MI) causes massive heart muscle death and remains a leading cause of death in the world. Cardiac tissue engineering aims to replace the infarcted tissues with functional engineered heart muscles or revitalize the infarcted heart by delivering cells, bioactive factors, and/or biomaterials. One major challenge of cardiac tissue engineering and regeneration is the establishment of functional perfusion and structure to achieve timely angiogenesis and effective vascularization, which are essential to the survival of thick implants and the integration of repaired tissue with host heart. In this paper, we review four major approaches to promoting angiogenesis and vascularization in cardiac tissue engineering and regeneration: delivery of pro-angiogenic factors/molecules, direct cell implantation/cell sheet grafting, fabrication of prevascularized cardiac constructs, and the use of bioreactors to promote angiogenesis and vascularization. We further provide a detailed review and discussion on the early perfusion design in nature-derived biomaterials, synthetic biodegradable polymers, tissue-derived acellular scaffolds/whole hearts, and hydrogel derived from extracellular matrix. A better understanding of the current approaches and their advantages, limitations, and hurdles could be useful for developing better materials for future clinical applications.

  1. Engineering Interface Structures and Thermal Stabilities via SPD Processing in Bulk Nanostructured Metals

    DOE PAGES

    Zheng, Shijian; Carpenter, John S.; McCabe, Rodney J.; ...

    2014-02-27

    Nanostructured metals achieve extraordinary strength but suffer from low thermal stability, both a consequence of a high fraction of interfaces. Overcoming this tradeoff relies on making the interfaces themselves thermally stable. In this paper, we show that the atomic structures of bi-metal interfaces in macroscale nanomaterials suitable for engineering structures can be significantly altered via changing the severe plastic deformation (SPD) processing pathway. Two types of interfaces are formed, both exhibiting a regular atomic structure and providing for excellent thermal stability, up to more than half the melting temperature of one of the constituents. Most importantly, the thermal stability ofmore » one is found to be significantly better than the other, indicating the exciting potential to control and optimize macroscale robustness via atomic-scale bimetal interface tuning. As a result, we demonstrate an innovative way to engineer pristine bimetal interfaces for a new class of simultaneously strong and thermally stable materials.« less

  2. DSM-III as a research tool.

    PubMed

    Treece, C

    1982-05-01

    The author describes the use of the DSM-III's diagnostic criteria and classification system as a research instrument and discusses some of the advantages and drawbacks of DMS-III for a specific type of study. A rearrangement of the hierarchical order of the DSM-III diagnostic classes is suggested. This rearrangement provides for levels of certainty in analyzing interrater reliability and offers a simplified framework for summarizing group data. When this approach is combined with a structured interview and response format, it provides a flexible way of managing a large classification system for a smaller study without sacrificing standardization.

  3. Advanced stress analysis methods applicable to turbine engine structures

    NASA Technical Reports Server (NTRS)

    Pian, Theodore H. H.

    1991-01-01

    The following tasks on the study of advanced stress analysis methods applicable to turbine engine structures are described: (1) constructions of special elements which contain traction-free circular boundaries; (2) formulation of new version of mixed variational principles and new version of hybrid stress elements; (3) establishment of methods for suppression of kinematic deformation modes; (4) construction of semiLoof plate and shell elements by assumed stress hybrid method; and (5) elastic-plastic analysis by viscoplasticity theory using the mechanical subelement model.

  4. Recognition of glioma stem cells by genetically modified T cells targeting EGFRvIII and development of adoptive cell therapy for glioma.

    PubMed

    Morgan, Richard A; Johnson, Laura A; Davis, Jeremy L; Zheng, Zhili; Woolard, Kevin D; Reap, Elizabeth A; Feldman, Steven A; Chinnasamy, Nachimuthu; Kuan, Chien-Tsun; Song, Hua; Zhang, Wei; Fine, Howard A; Rosenberg, Steven A

    2012-10-01

    No curative treatment exists for glioblastoma, with median survival times of less than 2 years from diagnosis. As an approach to develop immune-based therapies for glioblastoma, we sought to target antigens expressed in glioma stem cells (GSCs). GSCs have multiple properties that make them significantly more representative of glioma tumors than established glioma cell lines. Epidermal growth factor receptor variant III (EGFRvIII) is the result of a novel tumor-specific gene rearrangement that produces a unique protein expressed in approximately 30% of gliomas, and is an ideal target for immunotherapy. Using PCR primers spanning the EGFRvIII-specific deletion, we found that this tumor-specific gene is expressed in three of three GCS lines. Based on the sequence information of seven EGFRvIII-specific monoclonal antibodies (mAbs), we assembled chimeric antigen receptors (CARs) and evaluated the ability of CAR-engineered T cells to recognize EGFRvIII. Three of these anti-EGFRvIII CAR-engineered T cells produced the effector cytokine, interferon-γ, and lysed antigen-expressing target cells. We concentrated development on a CAR produced from human mAb 139, which specifically recognized GSC lines and glioma cell lines expressing mutant EGFRvIII, but not wild-type EGFR and did not recognize any normal human cell tested. Using the 139-based CAR, T cells from glioblastoma patients could be genetically engineered to recognize EGFRvIII-expressing tumors and could be expanded ex vivo to large numbers, and maintained their antitumor activity. Based on these observations, a γ-retroviral vector expressing this EGFRvIII CAR was produced for clinical application.

  5. Rotary engine research

    NASA Astrophysics Data System (ADS)

    1992-06-01

    A development history is presented for NASA's 1983-1991 Rotary Engine Enablement Program, emphasizing the CFD approaches to various problems that were instituted from 1987 to the end of the program. In phase I, a test rig was built to intensively clarify and characterize the stratified-charge rotary engine concept. In phase II, a high pressure, electronically controlled fuel injection system was tested. In phase III, the testing of improved fuel injectors led to the achievement of the stipulated 5 hp/cu inch specific power goal. CFD-aided design of advanced rotor-pocket shapes led to additional performance improvements.

  6. Different arsenate and phosphate incorporation effects on the nucleation and growth of iron(III) (Hydr)oxides on quartz.

    PubMed

    Neil, Chelsea W; Lee, Byeongdu; Jun, Young-Shin

    2014-10-21

    Iron(III) (hydr)oxides play an important role in the geochemical cycling of contaminants in natural and engineered aquatic systems. The ability of iron(III) (hydr)oxides to immobilize contaminants can be related to whether the precipitates form heterogeneously (e.g., at mineral surfaces) or homogeneously in solution. Utilizing grazing incidence small-angle X-ray scattering (GISAXS), we studied heterogeneous iron(III) (hydr)oxide nucleation and growth on quartz substrates for systems containing arsenate and phosphate anions. For the iron(III) only system, the radius of gyration (Rg) of heterogeneously formed precipitates grew from 1.5 to 2.5 (± 1.0) nm within 1 h. For the system containing 10(-5) M arsenate, Rg grew from 3.6 to 6.1 (± 0.5) nm, and for the system containing 10(-5) M phosphate, Rg grew from 2.0 to 4.0 (± 0.2) nm. While the systems containing these oxyanions had more growth, the system containing only iron(III) had the most nucleation events on substrates. Ex situ analyses of homogeneously and heterogeneously formed precipitates indicated that precipitates in the arsenate system had the highest water content and that oxyanions may bridge iron(III) hydroxide polymeric embryos to form a structure similar to ferric arsenate or ferric phosphate. These new findings are important because differences in nucleation and growth rates and particle sizes will impact the number of available reactive sites and the reactivity of newly formed particles toward aqueous contaminants.

  7. Active and passive interaction mechanism of smart materials for health monitoring of engineering structures: a review

    NASA Astrophysics Data System (ADS)

    Annamdas, Venu Gopal Madhav; Annamdas, Kiran Kumar

    2009-03-01

    Smart materials when interact with engineering structures, should have the capability to sense, measure, process, and detect any change in the selected variables (stress, damage) at critical locations. These smart materials can be classified into active and passive depending on the type of the structure, variables to be monitored, and interaction mechanism due to surface bonding or embedment. Some of the prominent smart materials are piezoelectric materials, micro fiber composite, polymers, shape memory alloys, electrostrictive and magnetostrictive materials, electrorheological and magnetorheological fluids and fiber optics. In addition, host structures do have the properties to support or repel the usage of smart materials inside or on it. This paper presents some of the most widely used smart materials and their interaction mechanism for structural health monitoring of engineering structures.

  8. MoSi2-Base Structural Composite Passed Engine Test

    NASA Technical Reports Server (NTRS)

    Nathal, Michael V.; Hebsur, Mohan G.

    1999-01-01

    The intermetallic compound molybdenum disilicide (MoSi2) is an attractive high-temperature structural material for advanced engine applications. It has excellent oxidation resistance, a high melting point, relatively low density, and high thermal conductivity; and it is easily machined. Past research at the NASA Lewis Research Center has resulted in the development of a hybrid composite consisting of a MoSi2 matrix reinforced with silicon nitride (Si3N4) particulate and silicon carbide (SiC) fibers. This composite has demonstrated attractive strength, toughness, thermal fatigue, and oxidation resistance, including resistance to "pest" oxidation. These properties attracted the interest of the Office of Naval Research and Pratt & Whitney, and a joint NASA/Navy/Pratt & Whitney effort was developed to continue to mature the MoSi2 composite technology. A turbine blade outer air seal, which was part of the Integrated High Performance Turbine Engine Technology (IHPTET) program, was chosen as a first component on which to focus.

  9. Lateral electrochemical etching of III-nitride materials for microfabrication

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Han, Jung

    Conductivity-selective lateral etching of III-nitride materials is described. Methods and structures for making vertical cavity surface emitting lasers with distributed Bragg reflectors via electrochemical etching are described. Layer-selective, lateral electrochemical etching of multi-layer stacks is employed to form semiconductor/air DBR structures adjacent active multiple quantum well regions of the lasers. The electrochemical etching techniques are suitable for high-volume production of lasers and other III-nitride devices, such as lasers, HEMT transistors, power transistors, MEMs structures, and LEDs.

  10. Preparation of monolayers of [MnIII 6CrIII]3+ single-molecule magnets on HOPG, mica and silicon surfaces and characterization by means of non-contact AFM

    NASA Astrophysics Data System (ADS)

    Gryzia, Aaron; Predatsch, Hans; Brechling, Armin; Hoeke, Veronika; Krickemeyer, Erich; Derks, Christine; Neumann, Manfred; Glaser, Thorsten; Heinzmann, Ulrich

    2011-08-01

    We report on the characterization of various salts of [ Mn III 6 Cr III ] 3+ complexes prepared on substrates such as highly oriented pyrolytic graphite (HOPG), mica, SiO2, and Si3N4. [ Mn III 6 Cr III ] 3+ is a single-molecule magnet, i.e., a superparamagnetic molecule, with a blocking temperature around 2 K. The three positive charges of [ Mn III 6 Cr III ] 3+ were electrically neutralized by use of various anions such as tetraphenylborate (BPh4 -), lactate (C3H5O3 -), or perchlorate (ClO4 -). The molecule was prepared on the substrates out of solution using the droplet technique. The main subject of investigation was how the anions and substrates influence the emerging surface topology during and after the preparation. Regarding HOPG and SiO2, flat island-like and hemispheric-shaped structures were created. We observed a strong correlation between the electronic properties of the substrate and the analyzed structures, especially in the case of mica where we observed a gradient in the analyzed structures across the surface.

  11. Insight into the Extraction Mechanism of Americium(III) over Europium(III) with Pyridylpyrazole: A Relativistic Quantum Chemistry Study.

    PubMed

    Kong, Xiang-He; Wu, Qun-Yan; Wang, Cong-Zhi; Lan, Jian-Hui; Chai, Zhi-Fang; Nie, Chang-Ming; Shi, Wei-Qun

    2018-05-10

    Separation of trivalent actinides (An(III)) and lanthanides (Ln(III)) is one of the most important steps in spent nuclear fuel reprocessing. However, it is very difficult and challenging to separate them due to their similar chemical properties. Recently the pyridylpyrazole ligand (PypzH) has been identified to show good separation ability toward Am(III) over Eu(III). In this work, to explore the Am(III)/Eu(III) separation mechanism of PypzH at the molecular level, the geometrical structures, bonding nature, and thermodynamic behaviors of the Am(III) and Eu(III) complexes with PypzH ligands modified by alkyl chains (Cn-PypzH, n = 2, 4, 8) have been systematically investigated using scalar relativistic density functional theory (DFT). According to the NBO (natural bonding orbital) and QTAIM (quantum theory of atoms in molecules) analyses, the M-N bonds exhibit a certain degree of covalent character, and more covalency appears in Am-N bonds compared to Eu-N bonds. Thermodynamic analyses suggest that the 1:1 extraction reaction, [M(NO 3 )(H 2 O) 6 ] 2+ + PypzH + 2NO 3 - → M(PypzH)(NO 3 ) 3 (H 2 O) + 5H 2 O, is the most suitable for Am(III)/Eu(III) separation. Furthermore, the extraction ability and the Am(III)/Eu(III) selectivity of the ligand PypzH is indeed enhanced by adding alkyl-substituted chains in agreement with experimental observations. Besides this, the nitrogen atom of pyrazole ring plays a more significant role in the extraction reactions related to Am(III)/Eu(III) separation compared to that of pyridine ring. This work could identify the mechanism of the Am(III)/Eu(III) selectivity of the ligand PypzH and provide valuable theoretical information for achieving an efficient Am(III)/Eu(III) separation process for spent nuclear fuel reprocessing.

  12. Electrical properties of dislocations in III-Nitrides

    NASA Astrophysics Data System (ADS)

    Cavalcoli, D.; Minj, A.; Pandey, S.; Cavallini, A.

    2014-02-01

    Research on GaN, AlN, InN (III-N) and their alloys is achieving new heights due their high potential applications in photonics and electronics. III-N semiconductors are mostly grown epitaxially on sapphire, and due to the large lattice mismatch and the differences in the thermal expansion coefficients, the structures usually contain many threading dislocations (TDs). While their structural properties have been widely investigated, their electrical characteristics and their role in the transport properties of the devices are still debated. In the present contribution we will show conductive AFM studies of TDs in GaN and Al/In GaN ternary alloys to evidence the role of strain, different surface polarity and composition on their electrical properties. Local I-V curves measured at TDs allowed us to clarify their role in the macroscopic electrical properties (leakage current, mobilities) of III-N based devices. Samples obtained by different growers (AIXTRON, III-V Lab) were studied. The comparison between the results obtained in the different alloys allowed us to understand the role of In and Al on the TDs electrical properties.

  13. Corps of Engineers Structural Engineering Conference Held in St. Johns County, Florida on 8-12 July 1991. Volume 2

    DTIC Science & Technology

    1992-12-01

    problems. Leadership forums were conducted for chiefs of structural design from each office for both military and civil works areas. (Continued) 14...Photographs ....................................... 7 Maintaining Design Quality in the Corps of Engineers .................... II Expedited Design and...25 Portugues Dam Monolith Layout and Survey Control ...................... 33 Cofferdam Design Problems, Point Marion Lock

  14. Structural evidence of [Rh(Thio) 6] 3+ and [Rh(Thio) 5Cl] 2+ cations in three novel ionic systems based on Co(III) dioximates

    NASA Astrophysics Data System (ADS)

    Bourosh, Paulina N.; Coropceanu, Eduard B.; Rija, Andrei P.; Bologa, Olga A.; Gdaniec, Maria; Bulhac, Ion I.

    2011-07-01

    Multicomponent mixed metal ionic-type dioximates, [Со(DH) 2(Thio) 2][Rh(Thio) 6][BF 4] 4 ( 1), [Со(DH) 2(Thio) 2][Rh(Thio) 6][TiF 6] 2·H 2O ( 2) and [Со(NioxH) 2(Thio) 2] 2[Rh(Thio) 5Cl][TiF 6] 2·CH 3OH·3H 2O ( 3), where DH 2 is dimethylglyoxime, NioxH 2 is 1.2-cyclohexanedionedioxime, and Thio is thiourea, were synthesized and their structures were determined by an X-ray method. Compounds 1-3 consist of two different mononuclear coordination cations with cobalt(III) and rhodium(III) as octahedrally coordinated metal centers and fluorine-containing anions as counterions. In the studied systems, Rh(III) mostly binds Thio ligands instead of dioximes, while a typical bis-dioximate in trans geometry is formed by Co(III) with two Thio ligands placed in axial positions. A structural characterization of coordination cations [Rh(Thio) 6] 3+ and [Rh(Thio) 5Cl] 2+ is given for the first time. The interactions and arrangement of the components in crystals 1-3 are discussed.

  15. Synthesis, crystal structure and magnetic properties of a novel tetranuclear oxo-bridged iron(III) butterfly

    NASA Astrophysics Data System (ADS)

    Arizaga, Livia; Gancheff, Jorge S.; Faccio, Ricardo; Cañón-Mancisidor, Walter; González, Ricardo; Kremer, Carlos; Chiozzone, Raúl

    2014-01-01

    A novel carboxylate/picolinate oxo-bridged iron(III) cluster, namely [Na2(H2O)8][Fe4(μ-O)2(O2CPh)7(pic)2]2·2H2O (1) where pic = picolinate, has been obtained by reacting "basic iron benzoate" [Fe3O(O2CPh)6(H2O)3](O2CPh) with sodium picolinate in acetonitrile. The compound has been characterized by elemental analysis and IR spectroscopy and its crystal structure has been determined by single-crystal X-ray diffraction.

  16. Carbonato-bridged Ni(II)2Ln(III)2 (Ln(III) = Gd(III), Tb(III), Dy(III)) complexes generated by atmospheric CO2 fixation and their single-molecule-magnet behavior: [(μ4-CO3)2{Ni(II)(3-MeOsaltn)(MeOH or H2O)Ln(III)(NO3)}2]·solvent [3-MeOsaltn = N,N'-bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato].

    PubMed

    Sakamoto, Soichiro; Fujinami, Takeshi; Nishi, Koshiro; Matsumoto, Naohide; Mochida, Naotaka; Ishida, Takayuki; Sunatsuki, Yukinari; Re, Nazzareno

    2013-06-17

    Atmospheric CO2 fixation of [Ni(II)(3-MeOsaltn)(H2O)2]·2.5H2O [3-MeOsaltn = N,N'-bis(3-methoxy-2-oxybenzylidene)-1,3-propanediaminato], Ln(III)(NO3)3·6H2O, and triethylamine occurred in methanol/acetone, giving a first series of carbonato-bridged Ni(II)2Ln(III)2 complexes [(μ4-CO3)2{Ni(II)(3-MeOsaltn)(MeOH)Ln(III)(NO3)}2] (1Gd, 1Tb, and 1Dy). When the reaction was carried out in acetonitrile/water, it gave a second series of complexes [(μ4-CO3)2{Ni(II)(3-MeOsaltn)(H2O)Ln(III)(NO3)}2]·2CH3CN·2H2O (2Gd, 2Tb, and 2Dy). For both series, each Ni(II)2Ln(III)2 structure can be described as two di-μ-phenoxo-bridged Ni(II)Ln(III) binuclear units bridged by two carbonato CO3(2-) units to form a carbonato-bridged (μ4-CO3)2{Ni(II)2Ln(III)2} structure. The high-spin Ni(II) ion has octahedral coordination geometry, and the Ln(III) ion is coordinated by O9 donor atoms from Ni(II)(3-MeOsaltn), bidentate NO3(-), and one and two oxygen atoms of two CO3(2-) ions. The NO3(-) ion for the first series roughly lie on Ln-O(methoxy) bonds and are tilted toward the outside, while for the second series, the two oxygen atoms roughly lie on one of the Ln-O(phenoxy) bonds due to the intramolecular hydrogen bond. The temperature-dependent magnetic susceptibilities indicated a ferromagnetic interaction between the Ni(II) and Ln(III) ions (Ln(III) = Gd(III), Tb(III), Dy(III)) for all of the complexes, with a distinctly different magnetic behavior between the two series in the lowest-temperature region due to the Ln(III)-Ln(III) magnetic interaction and/or different magnetic anisotropies of the Tb(III) or Dy(III) ion. Alternating-current susceptibility measurements under the 0 and 1000 Oe direct-current (dc) bias fields showed no magnetic relaxation for the Ni(II)2Gd(III)2 complexes but exhibited an out-of-phase signal for Ni(II)2Tb(III)2 and Ni(II)2Dy(III)2, indicative of slow relaxation of magnetization. The energy barriers, Δ/kB, for the spin flipping were estimated from the Arrhenius

  17. STRUCTURE OF THE TYPE III PANTOTHENATE KINASE FROM Bacillus anthracis AT 2.0 Å RESOLUTION

    PubMed Central

    Nicely, Nathan I.; Parsonage, Derek; Paige, Carleitta; Newton, Gerald L.; Fahey, Robert C.; Leonardi, Roberta; Jackowski, Suzanne; Mallett, T. Conn; Claiborne, Al

    2008-01-01

    Coenzyme A (CoASH) is the major low-molecular weight thiol in Staphylococcus aureus and a number of other bacteria; the crystal structure of the S. aureus coenzyme A-disulfide reductase (CoADR), which maintains the reduced intracellular state of CoASH, has recently been reported [Mallett, T.C., Wallen, J.R., Karplus, P.A., Sakai, H., Tsukihara, T., and Claiborne, A. (2006) Biochemistry 45, 11278-11289]. In this report we demonstrate that CoASH is the major thiol in Bacillus anthracis; a bioinformatics analysis indicates that three of the four proteins responsible for the conversion of pantothenate (Pan) to CoASH in Escherichia coli are conserved in B. anthracis. In contrast, a novel type III pantothenate kinase (PanK) catalyzes the first committed step in the biosynthetic pathway in B. anthracis; unlike the E. coli type I PanK, this enzyme is not subject to feedback inhibition by CoASH. The crystal structure of B. anthracis PanK (BaPanK), solved using multiwavelength anomalous dispersion data and refined at a resolution of 2.0 Å, demonstrates that BaPanK is a new member of the Acetate and Sugar Kinase/Hsc70/Actin (ASKHA) superfamily. The Pan and ATP substrates have been modeled into the active-site cleft; in addition to providing a clear rationale for the absence of CoASH inhibition, analysis of the Pan-binding pocket has led to the development of two new structure-based motifs (the PAN and INTERFACE motifs). Our analyses also suggest that the type III PanK in the spore-forming B. anthracis plays an essential role in the novel thiol/disulfide redox biology of this category A biodefense pathogen. PMID:17323930

  18. Structure of the heterotrimeric complex that regulates type III secretion needle formation

    PubMed Central

    Quinaud, Manuelle; Plé, Sophie; Job, Viviana; Contreras-Martel, Carlos; Simorre, Jean-Pierre; Attree, Ina; Dessen, Andréa

    2007-01-01

    Type III secretion systems (T3SS), found in several Gram-negative pathogens, are nanomachines involved in the transport of virulence effectors directly into the cytoplasm of target cells. T3SS are essentially composed of basal membrane-embedded ring-like structures and a hollow needle formed by a single polymerized protein. Within the bacterial cytoplasm, the T3SS needle protein requires two distinct chaperones for stabilization before its secretion, without which the entire T3SS is nonfunctional. The 2.0-Å x-ray crystal structure of the PscE-PscF55–85-PscG heterotrimeric complex from Pseudomonas aeruginosa reveals that the C terminus of the needle protein PscF is engulfed within the hydrophobic groove of the tetratricopeptide-like molecule PscG, indicating that the macromolecular scaffold necessary to stabilize the T3SS needle is totally distinct from chaperoned complexes between pilus- or flagellum-forming molecules. Disruption of specific PscG–PscF interactions leads to impairment of bacterial cytotoxicity toward macrophages, indicating that this essential heterotrimer, which possesses homologs in a wide variety of pathogens, is a unique attractive target for the development of novel antibacterials. PMID:17470796

  19. Micrometer scale guidance of mesenchymal stem cells to form structurally oriented large-scale tissue engineered cartilage.

    PubMed

    Chou, Chih-Ling; Rivera, Alexander L; Williams, Valencia; Welter, Jean F; Mansour, Joseph M; Drazba, Judith A; Sakai, Takao; Baskaran, Harihara

    2017-09-15

    Current clinical methods to treat articular cartilage lesions provide temporary relief of the symptoms but fail to permanently restore the damaged tissue. Tissue engineering, using mesenchymal stem cells (MSCs) combined with scaffolds and bioactive factors, is viewed as a promising method for repairing cartilage injuries. However, current tissue engineered constructs display inferior mechanical properties compared to native articular cartilage, which could be attributed to the lack of structural organization of the extracellular matrix (ECM) of these engineered constructs in comparison to the highly oriented structure of articular cartilage ECM. We previously showed that we can guide MSCs undergoing chondrogenesis to align using microscale guidance channels on the surface of a two-dimensional (2-D) collagen scaffold, which resulted in the deposition of aligned ECM within the channels and enhanced mechanical properties of the constructs. In this study, we developed a technique to roll 2-D collagen scaffolds containing MSCs within guidance channels in order to produce a large-scale, three-dimensional (3-D) tissue engineered cartilage constructs with enhanced mechanical properties compared to current constructs. After rolling the MSC-scaffold constructs into a 3-D cylindrical structure, the constructs were cultured for 21days under chondrogenic culture conditions. The microstructure architecture and mechanical properties of the constructs were evaluated using imaging and compressive testing. Histology and immunohistochemistry of the constructs showed extensive glycosaminoglycan (GAG) and collagen type II deposition. Second harmonic generation imaging and Picrosirius red staining indicated alignment of neo-collagen fibers within the guidance channels of the constructs. Mechanical testing indicated that constructs containing the guidance channels displayed enhanced compressive properties compared to control constructs without these channels. In conclusion, using a novel

  20. 40 CFR 94.907 - Engine dressing exemption.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... turbocharger, except that small-volume manufacturers of recreational engines may replace an original turbocharger with one that matches the performance of the original turbocharger. (iii) Modify or design the...

  1. 40 CFR 94.907 - Engine dressing exemption.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... turbocharger, except that small-volume manufacturers of recreational engines may replace an original turbocharger with one that matches the performance of the original turbocharger. (iii) Modify or design the...

  2. 40 CFR 94.907 - Engine dressing exemption.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... turbocharger, except that small-volume manufacturers of recreational engines may replace an original turbocharger with one that matches the performance of the original turbocharger. (iii) Modify or design the...

  3. Occurrence and Speciation of Polymeric Chromium(III), Monomeric Chromium(III) and Chromium(VI) in Environmental Samples

    PubMed Central

    HU, LIGANG; CAI, YONG; JIANG, GUIBIN

    2016-01-01

    Laboratory experiments suggest that polymeric Cr(III) could exist in aqueous solution for a relative long period of time. However, the occurrence of polymeric Cr(III) has not been reported in environmental media due partially to the lack of method for speciating polymeric Cr. We observed an unknown Cr species during the course of study on speciation of Cr in the leachates of chromated-copper-arsenate (CCA)-treated wood. Efforts were made to identify structure of the unknown Cr species. Considering the forms of Cr existed in the CCA-treated woods, we mainly focused our efforts to determine if the unknown species were polymeric Cr(III), complex of Cr/As or complex of Cr with dissolved organic matter (DOM). In order to evaluate whether polymeric Cr(III) largely exist in wood leachates, high performance liquid chromatography coupled with inductively coupled mass spectrometry (HPLC-ICPMS was used) for simultaneous speciation of monomeric Cr(III), polymeric Cr(III), and Cr(VI). In addition to wood leachates where polymeric Cr (III) ranged from 39.1 to 67.4 %, occurrence of the unknown Cr species in other environmental matrices, including surface waters, tap and waste waters, was also investigated. It was found that polymeric Cr(III) could exist in environmental samples containing μg/L level of Cr, at a level up to 60% of total Cr, suggesting that polymeric Cr(III) could significantly exist in natural environments. Failure in quantifying polymeric Cr(III) would lead to the underestimation of total Cr and bias in Cr speciation. The environmental implication of the presence of polymeric Cr(III) species in the environment deserves further study. PMID:27156211

  4. Numerical modeling of interaction of the aircraft engine with concrete protective structures

    NASA Astrophysics Data System (ADS)

    Radchenko, P. A.; Batuev, S. P.; Radchenko, A. V.; Plevkov, V. S.

    2018-01-01

    The paper presents numerical modeling results considering interaction of Boeing 747 aircraft engine with nuclear power station protective shell. Protective shell has been given as a reinforced concrete structure with complex scheme of reinforcement. The engine has been simulated by cylinder projectile made from titanium alloy. The interaction velocity has comprised 180 m/s. The simulation is three-dimensional solved by finite element method using the author’s own software package EFES. Fracture and fragmentation of materials have been considered in calculations. Program software has been assessed to be used in calculation of multiple-contact objectives.

  5. Ethical considerations for a better collaboration between architects and structural engineers: design of buildings with reinforced concrete frame systems in earthquake zones.

    PubMed

    Hurol, Yonca

    2014-06-01

    Architects design building structures, although structural design is the profession of structural engineers. Thus, it is better for architects and structural engineers to collaborate starting from the initial phases of the architectural design. However, this is not very common because of the contradictory design processes and value systems held within the two professions. This article provides a platform upon which architects and structural engineers can resolve the value conflicts between them by analysing phases of the structural design of reinforced concrete frame systems in architecture, the criteria of the structural design for each phase and determining the conflicting values for each criterion. The results shown in the article demonstrate that the architectural design of structures is a complex process, which is based on contradictory values and value systems. Finally, the article suggests to architects and structural engineers to use Value Sensitive Design and to choose an appropriate team leader in order to resolve the unethical conflict between them and to avoid any unreasonable decision making.

  6. Crystal structure of octa-kis-(4-meth-oxy-pyridinium) bis-(4-meth-oxy-pyridine-κN)tetra-kis-(thio-cyanato-κN)ferrate(III) bis-[(4-meth-oxypyri-dine-κN)pentakis-(thio-cyanato-κN)ferrate(III)] hexa-kis-(thio-cyanato-κN)ferrate(III) with iron in three different octa-hedral coordination environments.

    PubMed

    Jochim, Aleksej; Jess, Inke; Näther, Christian

    2018-03-01

    The crystal structure of the title salt, (C 6 H 8 NO) 8 [Fe(NCS) 4 (C 6 H 7 NO) 2 ][Fe(NCS) 5 (C 6 H 7 NO)] 2 [Fe(NCS) 6 ], comprises three negatively charged octa-hedral Fe III complexes with different coordination environments in which the Fe III atoms are coordinated by a different number of thio-cyanate anions and 4-meth-oxy-pyridine ligands. Charge balance is achieved by 4-meth-oxy-pyridinium cations. The asymmetric unit consists of three Fe III cations, one of which is located on a centre of inversion, one on a twofold rotation axis and one in a general position, and ten thio-cyanate anions, two 4-meth-oxy-pyridine ligands and 4-meth-oxy-pyridinium cations (one of which is disordered over two sets of sites). Beside to Coulombic inter-actions between organic cations and the ferrate(III) anions, weak N-H⋯S hydrogen-bonding inter-actions involving the pyridinium N-H groups of the cations and the thio-cyanate S atoms of the complex anions are mainly responsible for the cohesion of the crystal structure.

  7. Molecular structure, magnetic properties, cyclic voltammetry of the low-spin iron(III) Bis(4-ethylaniline) complex with the para-chloro substituted meso-tetraphenylporphyrin

    NASA Astrophysics Data System (ADS)

    Dhifaoui, Selma; Mchiri, Chadlia; Quatremare, Pierre; Marvaud, Valérie; Bujacz, Anna; Nasri, Habib

    2018-02-01

    In this study, the preparation of a new iron(III) hexacoordinated metalloporphyrin namely the bis(4-ethylaniline){meso-tetra(para-chlorophenyl)porphyrinato}iron(III) triflate hemi-4-ethylaniline monohydrate with the formula [FeIII(TClPP)(PhEtNH2)2]SO3CF3•1/2PhEtNH2•H2O (I) was reported. This is the first example of an iron(III) metalloporphyrin bis(primary amine) with an aryl group adjacent to the amino group. This species was characterized by elemental, spectroscopic analysis including UV-visible and IR data, cyclic voltammetry, SQUID measurements and X-ray molecular structure. The mean equatorial distance between the iron(III) and the nitrogens of the porphyrin is appropriate for a low-spin (S = 1/2) iron(III) porphyrin complex. The magnetic data confirm the low-spin state of our ferric derivative while the cyclic voltammetry indicates a shift of the half potential E1/2[Fe(III)/Fe(II)] of complex (I) toward more negative value. In the crystal of (I), the [FeIII(TClPP)(PhEtNH2)2]+ ions, the triflate counterions and the water molecules are involved in a number of O__H⋯O, N__H⋯O, C-H⋯O and C__H⋯π intermolecular interactions forming a three-dimension network.

  8. Structural Basis for the Altered PAM Recognition by Engineered CRISPR-Cpf1.

    PubMed

    Nishimasu, Hiroshi; Yamano, Takashi; Gao, Linyi; Zhang, Feng; Ishitani, Ryuichiro; Nureki, Osamu

    2017-07-06

    The RNA-guided Cpf1 nuclease cleaves double-stranded DNA targets complementary to the CRISPR RNA (crRNA), and it has been harnessed for genome editing technologies. Recently, Acidaminococcus sp. BV3L6 (AsCpf1) was engineered to recognize altered DNA sequences as the protospacer adjacent motif (PAM), thereby expanding the target range of Cpf1-mediated genome editing. Whereas wild-type AsCpf1 recognizes the TTTV PAM, the RVR (S542R/K548V/N552R) and RR (S542R/K607R) variants can efficiently recognize the TATV and TYCV PAMs, respectively. However, their PAM recognition mechanisms remained unknown. Here we present the 2.0 Å resolution crystal structures of the RVR and RR variants bound to a crRNA and its target DNA. The structures revealed that the RVR and RR variants primarily recognize the PAM-complementary nucleotides via the substituted residues. Our high-resolution structures delineated the altered PAM recognition mechanisms of the AsCpf1 variants, providing a basis for the further engineering of CRISPR-Cpf1. Copyright © 2017 Elsevier Inc. All rights reserved.

  9. X-Ray Absorption Near Edge Structure And Extended X-Ray Absorption Fine Structure Analysis of Standards And Biological Samples Containing Mixed Oxidation States of Chromium(III) And Chromium(VI)

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Parsons, J.G.; Dokken, K.; Peralta-Videa, J.R.

    For the first time a method has been developed for the extended X-ray absorption fine structure (EXAFS) data analyses of biological samples containing multiple oxidation states of chromium. In this study, the first shell coordination and interatomic distances based on the data analysis of known standards of potassium chromate (Cr(VI)) and chromium nitrate hexahydrate (Cr(III)) were investigated. The standards examined were mixtures of the following molar ratios of Cr(VI):Cr(III), 0:1, 0.25:0.75, 0.5:0.5, 0.75:0.25, and 1:0. It was determined from the calibration data that the fitting error associated with linear combination X-ray absorption near edge structure (LC-XANES) fittings was approximately {+-}10%more » of the total fitting. The peak height of the Cr(VI) pre-edge feature after normalization of the X-ray absorption (XAS) spectra was used to prepare a calibration curve. The EXAFS fittings of the standards were also investigated and fittings to lechuguilla biomass samples laden with different ratios of Cr(III) and Cr(VI) were performed as well. An excellent agreement between the XANES data and the data presented in the EXAFS spectra was observed. The EXFAS data also presented mean coordination numbers directly related to the ratios of the different chromium oxidation states in the sample. The chromium oxygen interactions had two different bond lengths at approximately 1.68 and 1.98 {angstrom} for the Cr(VI) and Cr(III) in the sample, respectively.« less

  10. Properties of Decameter IIIb-III Pairs

    NASA Astrophysics Data System (ADS)

    Melnik, V. N.; Brazhenko, A. I.; Frantsuzenko, A. V.; Dorovskyy, V. V.; Rucker, H. O.

    2018-02-01

    A large number of Type IIIb-III pairs, in which the first component is a Type IIIb burst and the second one is a Type III burst, are often recorded during decameter Type III burst storms. From the beginning of their observation, the question of whether the components of these pairs are the first and the second harmonics of radio emission or not has remained open. We discuss properties of decameter IIIb-III pairs in detail to answer this question. The components of these pairs, Type IIIb bursts and Type III bursts, have essentially different durations and polarizations. At the same time their frequency drift rates are rather close, provided that the drift rates of Type IIIb bursts are a little larger those of Type III bursts at the same frequency. Frequency ratios of the bursts at the same moment are close to two. This points at a harmonic connection of the components in IIIb-III pairs. At the same time there was a serious difficulty, namely why the first harmonic had fine frequency structure in the form of striae and the second harmonic did not have it. Recently Loi, Cairns, and Li ( Astrophys. J. 790, 67, 2014) succeeded in solving this problem. The physical aspects of observational properties of decameter IIIb-III pairs are discussed and pros and cons of harmonic character of Type IIIb bursts and Type III bursts in IIIb-III pairs are presented. We conclude that practically all properties of the IIIb-III pair components can be understood in the framework of the harmonic relation of the components of the IIIb-III pairs.

  11. Aluminum(III) interferes with the structure and the activity of the peptidyl-prolyl cis-trans isomerase (Pin1): a new mechanism contributing to the pathogenesis of Alzheimer's disease and cancers?

    PubMed

    Wang, Jing-Zhang; Liu, Ji; Lin, Tao; Han, Yong-Guang; Luo, Yue; Xi, Lei; Du, Lin-Fang

    2013-09-01

    The enzyme peptidyl-prolyl cis-trans isomerase (Pin1) may play an important role in preventing the development of Alzheimer's disease (AD). The structural and functional stability of Pin1 is extremely important. Previously, we have determined the stability of Pin1 under stressed conditions, such as thermal treatment and acidic-pH. Considering that aluminum (Al(III)) is well known for its potential neurotoxicity in the pathogenesis of AD, we examined whether Al(III) affects the structure and function of Pin1, by means of a PPIase activity assay, intrinsic fluorescence, circular dichroism (CD) spectroscopy, FTIR, and differential scanning calorimetry (DSC). The intrinsic tryptophan fluorescence measurements mainly show that Al(III) may bind to the clusters nearby W11 and W34 in the WW domain of Pin1, quenching the intrinsic fluorescence of the two tryptophan residues, which possibly results in the decreased binding affinity of Pin1 to substrates. The secondary structural analysis as revealed by FTIR and CD measurements indicate that Al(III) induces the increase in β-sheet and the decrease in α-helix in Pin1. Furthermore, the changes of the thermodynamic parameters for Pin1 as monitored by DSC confirm that the thermal stability of Pin1 significantly increases in the presence of Al(III). The Al(III)-induced structural changes of Pin1 result in a sharp decrease of the PPIase activity of Pin1. To some extent, our research is suggestive that Al(III) may inhibit the isomerization activity of Pin1 in vivo, which may contribute to the pathogenesis of AD. Copyright © 2013. Published by Elsevier Inc.

  12. Expression, refolding and bio-structural analysis of a tetravalent recombinant dengue envelope domain III protein for serological diagnosis.

    PubMed

    Combe, Maxime; Lacoux, Xavier; Martinez, Jérôme; Méjan, Odile; Luciani, Françoise; Daniel, Soizic

    2017-05-01

    Dengue is a mosquito-borne disease caused by four genetically and serologically related viruses that affect several millions of people. Envelope domain III (EDIII) of the viral envelope protein contains dengue virus (DENV) type-specific and DENV complex-reactive antigenic sites. Here, we describe the expression in Escherichia coli, the refolding and bio-structural analysis of envelope domain III of the four dengue serotypes as a tetravalent dengue protein (EDIIIT2), generating an attractive diagnostic candidate. In vitro refolding of denatured EDIIIT2 was performed by successive dialysis with decreasing concentrations of chaotropic reagent and in the presence of oxidized glutathione. The efficiency of refolding was demonstrated by protein mobility shifting and fluorescent visualization of labeled cysteine in non-reducing SDS-PAGE. The identity and the fully oxidized state of the protein were verified by mass spectrometry. Analysis of the structure by fluorescence, differential scanning calorimetry and circular dichroism showed a well-formed structural conformation mainly composed of β-strands. A label-free immunoassay based on biolayer interferometry technology was subsequently used to evaluate antigenic properties of folded EDIIIT2 protein using a panel of dengue IgM positive and negative human sera. Our data collectively support the use of an oxidatively refolded EDIIIT2 recombinant chimeric protein as a promising antigen in the serological diagnosis of dengue virus infections. Copyright © 2017 Elsevier Inc. All rights reserved.

  13. The Structures of Coiled-Coil Domains from Type III Secretion System Translocators Reveal Homology to Pore-Forming Toxins

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Barta, Michael L.; Dickenson, Nicholas E.; Patil, Mrinalini

    2012-03-26

    Many pathogenic Gram-negative bacteria utilize type III secretion systems (T3SSs) to alter the normal functions of target cells. Shigella flexneri uses its T3SS to invade human intestinal cells to cause bacillary dysentery (shigellosis) that is responsible for over one million deaths per year. The Shigella type III secretion apparatus is composed of a basal body spanning both bacterial membranes and an exposed oligomeric needle. Host altering effectors are secreted through this energized unidirectional conduit to promote bacterial invasion. The active needle tip complex of S. flexneri is composed of a tip protein, IpaD, and two pore-forming translocators, IpaB and IpaC.more » While the atomic structure of IpaD has been elucidated and studied, structural data on the hydrophobic translocators from the T3SS family remain elusive. We present here the crystal structures of a protease-stable fragment identified within the N-terminal regions of IpaB from S. flexneri and SipB from Salmonella enterica serovar Typhimurium determined at 2.1 {angstrom} and 2.8 {angstrom} limiting resolution, respectively. These newly identified domains are composed of extended-length (114 {angstrom} in IpaB and 71 {angstrom} in SipB) coiled-coil motifs that display a high degree of structural homology to one another despite the fact that they share only 21% sequence identity. Further structural comparisons also reveal substantial similarity to the coiled-coil regions of pore-forming proteins from other Gram-negative pathogens, notably, colicin Ia. This suggests that these mechanistically separate and functionally distinct membrane-targeting proteins may have diverged from a common ancestor during the course of pathogen-specific evolutionary events.« less

  14. A Paperless Course on Structural Engineering Programming: Investing in Educational Technology in the Times of the Greek Financial Recession

    ERIC Educational Resources Information Center

    Sextos, Anastasios G.

    2014-01-01

    This paper presents the structure of an undergraduate course entitled "programming techniques and the use of specialised software in structural engineering" which is offered to the fifth (final) year students of the Civil Engineering Department of Aristotle University Thessaloniki in Greece. The aim of this course is to demonstrate the…

  15. Probabilistic structural analysis methods for improving Space Shuttle engine reliability

    NASA Technical Reports Server (NTRS)

    Boyce, L.

    1989-01-01

    Probabilistic structural analysis methods are particularly useful in the design and analysis of critical structural components and systems that operate in very severe and uncertain environments. These methods have recently found application in space propulsion systems to improve the structural reliability of Space Shuttle Main Engine (SSME) components. A computer program, NESSUS, based on a deterministic finite-element program and a method of probabilistic analysis (fast probability integration) provides probabilistic structural analysis for selected SSME components. While computationally efficient, it considers both correlated and nonnormal random variables as well as an implicit functional relationship between independent and dependent variables. The program is used to determine the response of a nickel-based superalloy SSME turbopump blade. Results include blade tip displacement statistics due to the variability in blade thickness, modulus of elasticity, Poisson's ratio or density. Modulus of elasticity significantly contributed to blade tip variability while Poisson's ratio did not. Thus, a rational method for choosing parameters to be modeled as random is provided.

  16. A paperless course on structural engineering programming: investing in educational technology in the times of the Greek financial recession

    NASA Astrophysics Data System (ADS)

    Sextos, Anastasios G.

    2014-01-01

    This paper presents the structure of an undergraduate course entitled 'programming techniques and the use of specialised software in structural engineering' which is offered to the fifth (final) year students of the Civil Engineering Department of Aristotle University Thessaloniki in Greece. The aim of this course is to demonstrate the use of new information technologies in the field of structural engineering and to teach modern programming and finite element simulation techniques that the students can in turn apply in both research and everyday design of structures. The course also focuses on the physical interpretation of structural engineering problems, in a way that the students become familiar with the concept of computational tools without losing perspective from the engineering problem studied. For this purpose, a wide variety of structural engineering problems are studied in class, involving structural statics, dynamics, earthquake engineering, design of reinforced concrete and steel structures as well as data and information management. The main novelty of the course is that it is taught and examined solely in the computer laboratory ensuring that each student can accomplish the prescribed 'hands-on' training on a dedicated computer, strictly on a 1:1 student over hardware ratio. Significant effort has also been put so that modern educational techniques and tools are utilised to offer the course in an essentially paperless mode. This involves electronic educational material, video tutorials, student information in real time and exams given and assessed electronically through an ad hoc developed, personalised, electronic system. The positive feedback received from the students reveals that the concept of a paperless course is not only applicable in real academic conditions but is also a promising approach that significantly increases student productivity and engagement. The question, however, is whether such an investment in educational technology is indeed

  17. Bulk and surface structural investigations of diesel engine soot and carbon black.

    PubMed

    Müller, J-O; Su, D S; Wild, U; Schlögl, R

    2007-08-14

    The microstructure and electronic structure of environmentally relevant carbons such as Euro IV heavy duty diesel engine soot, soot from a black smoking diesel engine, spark discharge soot as model aerosol, commercial furnace soot and lamp black are investigated by transmission electron microscopy, electron energy-loss spectroscopy and X-ray photoelectron spectroscopy. The materials exhibit differences in the predominant bonding, which influences microstructure as well as surface functionalization. These chemical and physical properties depend on the formation history of the investigated carbonaceous materials. In this work, a correlation of the microstructure of the samples to the predominant bonding and incorporation of oxygen into the carbons is obtained. It is shown that a high amount of defects and the deviation of the carbons from a perfect graphitic structure results in a increased incorporation of oxygen and hydrogen. A correlation between the length and curvature of graphene layers with the bonding state of carbon atoms and incorporation of oxygen and hydrogen is established.

  18. SENER molten salt tower technology. Ouarzazate NOOR III case

    NASA Astrophysics Data System (ADS)

    Relloso, Sergio; Gutiérrez, Yolanda

    2017-06-01

    NOOR III 150 MWe project is the evolution of Gemasolar (19.9 MWe) to large scale Molten Salt Tower plants. With more than 5 years of operational experience, Gemasolar lessons learned have been the starting point for the optimization of this technology, considered the leader of potential cost reduction in CSP. In addition, prototypes of plant key components (heliostat and receiver) were manufactured and thoroughly tested before project launch in order to prove the new engineering solutions adopted. The SENER proprietary technology of NOOR III will be applied in the next Molten Salt Tower plants that will follow in other countries, such as South Africa, Chile and Australia.

  19. Recognition of Glioma Stem Cells by Genetically Modified T Cells Targeting EGFRvIII and Development of Adoptive Cell Therapy for Glioma

    PubMed Central

    Johnson, Laura A.; Davis, Jeremy L.; Zheng, Zhili; Woolard, Kevin D.; Reap, Elizabeth A.; Feldman, Steven A.; Chinnasamy, Nachimuthu; Kuan, Chien-Tsun; Song, Hua; Zhang, Wei; Fine, Howard A.; Rosenberg, Steven A.

    2012-01-01

    Abstract No curative treatment exists for glioblastoma, with median survival times of less than 2 years from diagnosis. As an approach to develop immune-based therapies for glioblastoma, we sought to target antigens expressed in glioma stem cells (GSCs). GSCs have multiple properties that make them significantly more representative of glioma tumors than established glioma cell lines. Epidermal growth factor receptor variant III (EGFRvIII) is the result of a novel tumor-specific gene rearrangement that produces a unique protein expressed in approximately 30% of gliomas, and is an ideal target for immunotherapy. Using PCR primers spanning the EGFRvIII-specific deletion, we found that this tumor-specific gene is expressed in three of three GCS lines. Based on the sequence information of seven EGFRvIII-specific monoclonal antibodies (mAbs), we assembled chimeric antigen receptors (CARs) and evaluated the ability of CAR-engineered T cells to recognize EGFRvIII. Three of these anti-EGFRvIII CAR-engineered T cells produced the effector cytokine, interferon-γ, and lysed antigen-expressing target cells. We concentrated development on a CAR produced from human mAb 139, which specifically recognized GSC lines and glioma cell lines expressing mutant EGFRvIII, but not wild-type EGFR and did not recognize any normal human cell tested. Using the 139-based CAR, T cells from glioblastoma patients could be genetically engineered to recognize EGFRvIII-expressing tumors and could be expanded ex vivo to large numbers, and maintained their antitumor activity. Based on these observations, a γ-retroviral vector expressing this EGFRvIII CAR was produced for clinical application. PMID:22780919

  20. Optical and relaxometric properties of monometallic (Eu(III), Tb(III), Gd(III)) and heterobimetallic (Re(I)/Gd(III)) systems based on a functionalized bipyridine-containing acyclic ligand.

    PubMed

    Leygue, Nadine; Boulay, Alexandre; Galaup, Chantal; Benoist, Eric; Laurent, Sophie; Vander Elst, Luce; Mestre-Voegtlé, Béatrice; Picard, Claude

    2016-05-17

    A series of lanthanide complexes of [LnL(H2O)](2-) composition where Ln = Eu(III), Tb(III) or Gd(III) has been studied for determining their photophysical and relaxometric properties in aqueous solution. The bifunctional ligand L (H5BPMNTA) is an acyclic chelator based on a central functionalized 2,2'-bipyridine core and two iminodiacetate coordinating arms. The mono-aqua Eu(III) and Tb(III) complexes display attractive spectroscopic properties with an excitation wavelength at 316 nm, similar excited state lifetimes and overall quantum yields (in the ranges 0.5-0.6 ms and 10-13%, respectively) in Tris buffer (pH 7.4). The proton longitudinal relaxivity, r1, of the Gd(III) complex is 4.4 mM(-1) s(-1) at 20 MHz and 310 K, which is comparable to that of the clinically used Gd-DTPA (Magnevist®). Interestingly, the water exchange rate between the coordination site and the bulk solvent is very fast (Kex = 2.6 × 10(8) s(-1) at 310 K). The ability of the complex to bind non-covalently to human serum albumin (HSA) was also examined by relaxometric measurements. We also report the synthesis and properties of a bimetallic complex based on Gd-BPMNTA and Re(I)(bpy)(CO)3 components. In this system, the Re core exhibits interesting photophysical properties (λem = 588 nm, Φ = 1.4%) and the Gd-BPMNTA core displays improved relaxivity (r1 = 6.6 mM(-1) s(-1) at 20 MHz and 310 K), due to an increase of the rotational correlation time. Besides these appealing optical and relaxometric properties, the presence of a reactive function on the structure proposes this potential dual imaging probe for conjugation to biomolecules or nanomaterials.

  1. Acoustic-Structure Interaction in Rocket Engines: Validation Testing

    NASA Technical Reports Server (NTRS)

    Davis, R. Benjamin; Joji, Scott S.; Parks, Russel A.; Brown, Andrew M.

    2009-01-01

    While analyzing a rocket engine component, it is often necessary to account for any effects that adjacent fluids (e.g., liquid fuels or oxidizers) might have on the structural dynamics of the component. To better characterize the fully coupled fluid-structure system responses, an analytical approach that models the system as a coupled expansion of rigid wall acoustic modes and in vacuo structural modes has been proposed. The present work seeks to experimentally validate this approach. To experimentally observe well-coupled system modes, the test article and fluid cavities are designed such that the uncoupled structural frequencies are comparable to the uncoupled acoustic frequencies. The test measures the natural frequencies, mode shapes, and forced response of cylindrical test articles in contact with fluid-filled cylindrical and/or annular cavities. The test article is excited with a stinger and the fluid-loaded response is acquired using a laser-doppler vibrometer. The experimentally determined fluid-loaded natural frequencies are compared directly to the results of the analytical model. Due to the geometric configuration of the test article, the analytical model is found to be valid for natural modes with circumferential wave numbers greater than four. In the case of these modes, the natural frequencies predicted by the analytical model demonstrate excellent agreement with the experimentally determined natural frequencies.

  2. Computer-Aided Structural Engineering (CASE) Project: State of the Art on Expert Systems Applications in Design, Construction and Maintenance of Structures

    DTIC Science & Technology

    1989-09-01

    OGT, F1EPQRTJTL4, W" - 3^ n"r-- n *ON EXPERT SYSTEMS IN DESIGN, CONSTRUCTION AND’, IWAJNTENANCE-OF STRUCTURES Arockiasamy, Sunghoon Lee Clepartrhent...based expert system applications in the areas of structural design, design standards, and construction planning. This study will aid in the development...of a comprehensive expert system for tvical hydraulic structures. Funding for this report was provided by the US Army Engineer Waterways Experiment

  3. A fresnoite-structure-related mixed valent titanium(III/IV) chlorosilicate, Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl: A flux crystal growth route to Ti(III) containing oxides

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Abeysinghe, Dileka; Smith, Mark D.; Loye, Hans-Conrad zur, E-mail: zurloye@mailbox.sc.edu

    Single crystals of mixed valent barium titanium(III/IV) chlorosilicate, Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl{sub 0.91}O{sub 0.09}, were grown in a high temperature molten chloride flux involving an in situ reduction step. The fresnoite structure related Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl{sub 0.91}O{sub 0.09} crystallizes in the tetragonal space group P4/mbm with lattice parameters of a=8.6717(2) Å, c=18.6492(5) Å. The title compound exhibits a 3D structure consisting of 2D layers of fused Ti{sub 2}O{sub 9} and Si{sub 4}O{sub 12} groups and 2D layers of fused Ti{sub 2}O{sub 9}Cl{sub 2} and Si{sub 2}O{sub 7} groups that are linked via barium atoms. The in situmore » reduction of Ti(IV) to Ti(III) is achieved via the addition of metallic Mg to the flux to function as the reducing agent. The temperature dependence of the magnetic susceptibility shows simple paramagnetism above 100 K. There is a discontinuity in the susceptibility data below 100 K, which might be due to a structural change that takes place resulting in charge ordering. - Graphical abstract: The fresnoite structure related novel reduced barium titanium chlorosilicate, Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl{sub 0.91}O{sub 0.09}, were synthesized via flux method. An in situ reduction of Ti(IV) to Ti(III) achieved using Mg metal. The 3D structure consists 2D layers of fused Ti{sub 2}O{sub 9} and Si{sub 4}O{sub 12} and 2D layers of fused Ti{sub 2}O{sub 9}Cl{sub 2} and Si{sub 2}O{sub 7} connected via barium atoms. Compound shows simple paramagnetism above 100 K. - Highlights: • The fresnoite related Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl{sub 0.91}O{sub 0.09} were grown via molten flux method. • The in situ reduction of Ti(IV) to Ti(III) is achieved using metallic Mg. • 2D layers of Ti{sub 2}O{sub 9} and Si{sub 4}O{sub 12} and Ti{sub 2}O{sub 9}Cl{sub 2} and Si{sub 2}O{sub 7} connect via Ba atoms. • The magnetic susceptibility shows simple paramagnetism above 100 K.« less

  4. Engine isolation for structural-borne interior noise reduction in a general aviation aircraft

    NASA Technical Reports Server (NTRS)

    Unruh, J. F.; Scheidt, D. C.

    1981-01-01

    Engine vibration isolation for structural-borne interior noise reduction is investigated. A laboratory based test procedure to simulate engine induced structure-borne noise transmission, the testing of a range of candidate isolators for relative performance data, and the development of an analytical model of the transmission phenomena for isolator design evaluation are addressed. The isolator relative performance test data show that the elastomeric isolators do not appear to operate as single degree of freedom systems with respect to noise isolation. Noise isolation beyond 150 Hz levels off and begins to decrease somewhat above 600 Hz. Coupled analytical and empirical models were used to study the structure-borne noise transmission phenomena. Correlation of predicted results with measured data show that (1) the modeling procedures are reasonably accurate for isolator design evaluation, (2) the frequency dependent properties of the isolators must be included in the model if reasonably accurate noise prediction beyond 150 Hz is desired. The experimental and analytical studies were carried out in the frequency range from 10 Hz to 1000 Hz.

  5. Novel CoIII complexes containing fluorescent coumarin-N-acylhydrazone hybrid ligands: Synthesis, crystal structures, solution studies and DFT calculations

    NASA Astrophysics Data System (ADS)

    Areas, Esther S.; Bronsato, Bruna Juliana da S.; Pereira, Thiago M.; Guedes, Guilherme P.; Miranda, Fábio da S.; Kümmerle, Arthur E.; da Cruz, Antônio G. B.; Neves, Amanda P.

    2017-12-01

    A series of new CoIII complexes of the type [Co(dien)(L1 -L3)]ClO4 (1-3), containing fluorescent coumarin-N-acylhydrazonate hybrid ligands, (E)-N‧-(1-(7-oxido-2-oxo-2H-chromen-3-yl)ethylidene)-4-R-benzohydrazonate [where R = H (L12 -), OCH3 (L22 -) or Cl (L32 -)], were obtained and isolated in the low spin CoIII configuration. Single-crystal X-ray diffraction showed that the coumarin-N-acylhydrazones act as tridentate ligands in their deprotonated form (L2 -). The cation (+ 1) complexes contain a diethylenetriamine (dien) as auxiliary ligand and their structures were calculated by DFT studies which were also performed for the CoII (S = 1/2 and S = 3/2) configurations. The LS CoII (S = 1/2) concentrated the spin density on the O-Co-O axis while the HS CoII (S = 3/2) exhibited a broad spin density distribution around the metallic center. Cyclic voltammetry studies showed that structural modifications made in the L2 - ligands caused a slight influence on the electronic density of the metal center, and the E1/2 values for the CoIII/CoII redox couple increased following the electronic effect of the R-substituent, in the order: 2 (R = OCH3) < 1 (R = H) < 3 (R = Cl). The theoretical redox potentials (E°) of the process CoIII → CoII were calculated for both CoII spin states (S = 1/2 and S = 3/2) and a better correlation was found for CoIII → CoII (S = 1/2), compared with experimental values vs SHE (E°calc = - 0.37, - 0.36 and - 0.32 V vs E°exp. = - 0.371, - 0.406 and - 0.358 V, for 1-3 respectively). Complexes 1-3 exhibited a very intense absorption band around 470 nm, assigned by DFT calculations as π-π* transitions from the delocalized coumarin-N-acylhydrazone system. 1-3 were very stable in MeOH for several days. Likewise, 1-3 were stable in phosphate buffer containing sodium ascorbate after 15 h, which was attributed to the high chelate effect and σ-donor ability of the L2 - and dien ligands.

  6. Tunable thermal conductivity via domain structure engineering in ferroelectric thin films: A phase-field simulation

    DOE PAGES

    Wang, Jian -Jun; Wang, Yi; Ihlefeld, Jon F.; ...

    2016-04-06

    Effective thermal conductivity as a function of domain structure is studied by solving the heat conduction equation using a spectral iterative perturbation algorithm in materials with inhomogeneous thermal conductivity distribution. Using this proposed algorithm, the experimentally measured effective thermal conductivities of domain-engineered {001} p-BiFeO 3 thin films are quantitatively reproduced. In conjunction with two other testing examples, this proposed algorithm is proven to be an efficient tool for interpreting the relationship between the effective thermal conductivity and micro-/domain-structures. By combining this algorithm with the phase-field model of ferroelectric thin films, the effective thermal conductivity for PbZr 1-xTi xO 3 filmsmore » under different composition, thickness, strain, and working conditions is predicted. It is shown that the chemical composition, misfit strain, film thickness, film orientation, and a Piezoresponse Force Microscopy tip can be used to engineer the domain structures and tune the effective thermal conductivity. Furthermore, we expect our findings will stimulate future theoretical, experimental and engineering efforts on developing devices based on the tunable effective thermal conductivity in ferroelectric nanostructures.« less

  7. Tunable thermal conductivity via domain structure engineering in ferroelectric thin films: A phase-field simulation

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Wang, Jian -Jun; Wang, Yi; Ihlefeld, Jon F.

    Effective thermal conductivity as a function of domain structure is studied by solving the heat conduction equation using a spectral iterative perturbation algorithm in materials with inhomogeneous thermal conductivity distribution. Using this proposed algorithm, the experimentally measured effective thermal conductivities of domain-engineered {001} p-BiFeO 3 thin films are quantitatively reproduced. In conjunction with two other testing examples, this proposed algorithm is proven to be an efficient tool for interpreting the relationship between the effective thermal conductivity and micro-/domain-structures. By combining this algorithm with the phase-field model of ferroelectric thin films, the effective thermal conductivity for PbZr 1-xTi xO 3 filmsmore » under different composition, thickness, strain, and working conditions is predicted. It is shown that the chemical composition, misfit strain, film thickness, film orientation, and a Piezoresponse Force Microscopy tip can be used to engineer the domain structures and tune the effective thermal conductivity. Furthermore, we expect our findings will stimulate future theoretical, experimental and engineering efforts on developing devices based on the tunable effective thermal conductivity in ferroelectric nanostructures.« less

  8. Engineering Encounters: Building a Spaghetti Structure

    ERIC Educational Resources Information Center

    Llewellyn, Douglas; Pray, Sandra; DeRose, Rob; Ottman, William

    2016-01-01

    This column presents ideas and techniques to enhance science teaching. In this month's issue an upper elementary Science, technology, engineering, and math (STEM) challenge brings an engineer into the classroom while emphasizing cooperation, communication, and creativity. STEM activities come in various shapes and sizes. Some are quite involved…

  9. Structural and photophysical studies on gallium(III) 8-hydroxyquinoline-5-sulfonates. Does excited state decay involve ligand photolabilisation?

    PubMed

    Ramos, M Luísa; de Sousa, Andreia R E; Justino, Licínia L G; Fonseca, Sofia M; Geraldes, Carlos F G C; Burrows, Hugh D

    2013-03-14

    Multinuclear ((1)H, (13)C and (71)Ga) magnetic resonance spectroscopy (1D and 2D), DFT calculations and luminescence techniques have been used to study 8-hydroxyquinoline-5-sulfonate (8-HQS) and its complexes with Ga(III) in aqueous solutions. The study combines the high sensitivity of luminescence techniques and the selectivity of multinuclear NMR spectroscopy with the structural details accessible through DFT calculations, and aims to obtain a complete understanding of the complexation between the Ga(3+) ion and 8-HQS, and how this influences the luminescence behaviour. A full speciation study has been performed on this system and three complexes detected, with (metal : ligand) 1 : 1, 1 : 2 and 1 : 3 stoichiometries, the results being consistent with those previously found for the system Al(III)-8-HQS. Complexation in these systems is relevant to their potential biomedical, sensing and optoelectronic applications. On binding to Ga(III), a marked increase is seen in the intensity of the 8-HQS fluorescence band, which is accompanied by changes in the absorption spectra. These support the use of 8-HQS as a sensitive fluorescent sensor to detect Ga(3+) metal ions in surface waters, biological fluids, etc., and its metal complexes as an emitting or charge transport layer in light emitting devices. However, the fluorescence quantum yield of the Ga(III)-8-HQS 1 : 3 complex is about 35% of that of the corresponding system with Al(III). Although this may be due in part to a heavy atom effect favouring S(1)→ T(1) intersystem crossing with Ga(3+), this does not agree with transient absorption measurements on the triplet state yield, which is lower with the Ga(III) system than with Al(III). Instead, it is suggested that photolabilisation of ligand exchange plays a major role in nonradiative decay of the excited state and that this is more efficient with the Ga(3+) complex. Based on these results, suggestions are made of ways of enhancing fluorescence

  10. Structural and material approaches to bone tissue engineering in powder-based three-dimensional printing.

    PubMed

    Butscher, A; Bohner, M; Hofmann, S; Gauckler, L; Müller, R

    2011-03-01

    This article reviews the current state of knowledge concerning the use of powder-based three-dimensional printing (3DP) for the synthesis of bone tissue engineering scaffolds. 3DP is a solid free-form fabrication (SFF) technique building up complex open porous 3D structures layer by layer (a bottom-up approach). In contrast to traditional fabrication techniques generally subtracting material step by step (a top-down approach), SFF approaches allow nearly unlimited designs and a large variety of materials to be used for scaffold engineering. Today's state of the art materials, as well as the mechanical and structural requirements for bone scaffolds, are summarized and discussed in relation to the technical feasibility of their use in 3DP. Advances in the field of 3DP are presented and compared with other SFF methods. Existing strategies on material and design control of scaffolds are reviewed. Finally, the possibilities and limiting factors are addressed and potential strategies to improve 3DP for scaffold engineering are proposed. Copyright © 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  11. Engineered disc-like angle-ply structures for intervertebral disc replacement.

    PubMed

    Nerurkar, Nandan L; Sen, Sounok; Huang, Alice H; Elliott, Dawn M; Mauck, Robert L

    2010-04-15

    To develop a construction algorithm in which electrospun nanofibrous scaffolds are coupled with a biocompatible hydrogel to engineer a mesenchymal stem cell (MSC)-based disc replacement. To engineer a disc-like angle-ply structure (DAPS) that replicates the multiscale architecture of the intervertebral disc. Successful engineering of a replacement for the intervertebral disc requires replication of its mechanical function and anatomic form. Despite many attempts to engineer a replacement for ailing and degenerated discs, no prior study has replicated the multiscale hierarchical architecture of the native disc, and very few have assessed the mechanical function of formed neo-tissues. A new algorithm for the construction of a disc analogue was developed, using agarose to form a central nucleus pulposus (NP) and oriented electrospun nanofibrous scaffolds to form the anulus fibrosus region (AF). Bovine MSCs were seeded into both regions and biochemical, histologic, and mechanical maturation were evaluated with in vitro culture. We show that mechanical testing in compression and torsion, loading methods commonly used to assess disc mechanics, reveal equilibrium and time-dependent behaviors that are qualitatively similar to native tissue, although lesser in magnitude. Further, we demonstrate that cells seeded into both AF and NP regions adopt distinct morphologies that mirror those seen in native tissue, and that, in the AF region, this ordered community of cells deposit matrix that is organized in an angle-ply configuration. Finally, constructs demonstrate functional development with long-term in vitro culture. These findings provide a new approach for disc tissue engineering that replicates multi-scale form and function of the intervertebral disc, providing a foundation from which to build a multi-scale, biologic, anatomically and hierarchically relevant composite disc analogue for eventual disc replacement.

  12. Band structure engineering of 2D materials using patterned dielectric superlattices.

    PubMed

    Forsythe, Carlos; Zhou, Xiaodong; Watanabe, Kenji; Taniguchi, Takashi; Pasupathy, Abhay; Moon, Pilkyung; Koshino, Mikito; Kim, Philip; Dean, Cory R

    2018-05-07

    The ability to manipulate electrons in two-dimensional materials with external electric fields provides a route to synthetic band engineering. By imposing artificially designed and spatially periodic superlattice potentials, electronic properties can be further altered beyond the constraints of naturally occurring atomic crystals 1-5 . Here, we report a new approach to fabricate high-mobility superlattice devices by integrating surface dielectric patterning with atomically thin van der Waals materials. By separating the device assembly and superlattice fabrication processes, we address the intractable trade-off between device processing and mobility degradation that constrains superlattice engineering in conventional systems. The improved electrostatics of atomically thin materials allows smaller wavelength superlattice patterns relative to previous demonstrations. Moreover, we observe the formation of replica Dirac cones in ballistic graphene devices with sub-40 nm wavelength superlattices and report fractal Hofstadter spectra 6-8 under large magnetic fields from superlattices with designed lattice symmetries that differ from that of the host crystal. Our results establish a robust and versatile technique for band structure engineering of graphene and related van der Waals materials with dynamic tunability.

  13. Correct Interpretation of Latent Versus Observed Abilities: "Implications From Structural Equation Modeling Applied to the WISC-III and WIAT Linking Sample"

    ERIC Educational Resources Information Center

    Oh, Hyeon-Joo; Glutting, Joseph J.; Watkins, Marley W.; Youngstrom, Eric A.; McDermott, Paul A.

    2004-01-01

    In this study, the authors used structural equation modeling to investigate relationships between ability constructs from the "Wechsler Intelligence Scale for Children-Third Edition" (WISC-III; Wechsler, 1991) in explaining reading and mathematics achievement constructs on the "Wechsler Individual Achievement Test" (WIAT;…

  14. High-Temperature Magnetic Bearings Being Developed for Gas Turbine Engines

    NASA Technical Reports Server (NTRS)

    Kascak, Albert F.

    1998-01-01

    Magnetic bearings are the subject of a new NASA Lewis Research Center and U.S. Army thrust with significant industry participation, and cooperation with other Government agencies. The NASA/Army emphasis is on high-temperature applications for future gas turbine engines. Magnetic bearings could increase the reliability and reduce the weight of these engines by eliminating the lubrication system. They could also increase the DN (diameter of bearing times the rpm) limit on engine speed and allow active vibration cancellation systems to be used, resulting in a more efficient, "more electric" engine. Finally, the Integrated High Performance Turbine Engine Technology (IHPTET) program, a joint Department of Defense/industry program, identified a need for a high-temperature (1200 F) magnetic bearing that could be demonstrated in their Phase III engine. This magnetic bearing is similar to an electric motor. It has a laminated rotor and stator made of cobalt steel. Wound around the stator's circumference are a series of electrical wire coils which form a series of electric magnets that exert a force on the rotor. A probe senses the position of the rotor, and a feedback controller keeps it centered in the cavity. The engine rotor, bearings, and casing form a flexible structure with many modes. The bearing feedback controller, which could cause some of these modes to become unstable, could be adapted to varying flight conditions to minimize seal clearances and monitor the health of the system.

  15. Structure and function of the temporomandibular joint disc: implications for tissue engineering.

    PubMed

    Detamore, Michael S; Athanasiou, Kyriacos A

    2003-04-01

    The temporomandibular joint (TMJ) disc is a little understood structure that, unfortunately, exhibits a plethora of pathologic disorders. Tissue engineering approaches may be warranted to address TMJ disc pathophysiology, but first a clear understanding of structure-function relationships needs to be developed, especially as they relate to the regenerative potential of the tissue. In this review, we correlate the biochemical content of the TMJ disc to its mechanical behavior and discuss what this correlation infers for tissue engineering studies of the TMJ disc. The disc of the TMJ exhibits a somewhat biconcave shape, being thicker in the anterior and posterior bands and thinner in the intermediate zone. The disc, which is certainly an anisotropic and nonhomogeneous tissue, consists almost entirely of type I collagen with trace amounts of type II and other types. In general, collagen fibers in the intermediate zone appear to run primarily in an anteroposterior direction and in a ringlike fashion around the periphery. Collagen orientation is reflected in higher tensile stiffness and strength in the center anteroposteriorly than mediolaterally and in the anterior and posterior bands than the intermediate zone mediolaterally. Tensile tests have shown the disc is stiffer and stronger in the direction of the collagen fibers. Elastin fibers in general appear along the collagen fibers and most likely function in restoring and retaining disc form after loading. The 2 primary glycosaminoglycans of the disc by far are chondroitin sulfate and dermatan sulfate, although their distribution is not clear. Compression studies are conflicting, but evidence suggests the disc is compressively stiffest in the center. Only a few tissue engineering studies of the TMJ disc have been performed to date. Tissue engineering studies must take advantage of existing information for experimental design and construct validation, and more research is necessary to characterize the disc to create a

  16. An engineering approach for the application of textile composites to a structural component

    NASA Technical Reports Server (NTRS)

    Baldwin, Jack W.; Gracias, Brian K.; Clark, Steven R.

    1993-01-01

    An engineering approach for the application of textile composites to a structural component is addressed. The main objective is to improve impact resistance of composite blades by using some form of 3-D reinforcement. Project goals, results, and conclusions are discussed.

  17. Engineering nanomaterials with a combined electrochemical and molecular biomimetic approach

    NASA Astrophysics Data System (ADS)

    Dai, Haixia

    Biocomposite materials, such as bones, teeth, and shells, are created using mild aqueous solution-based processes near room temperature. Proteins add flexibility to these processes by facilitating the nucleation, growth, and ordering of specific inorganic materials into hierarchical structures. We aim to develop a biomimetic strategy for engineering technologically relevant inorganic materials with controlled compositions and structures, as Nature does, using proteins to orchestrate material formation and assembly. This approach involves three basic steps: (i) preparation of inorganic substrates compatible with combinatorial polypeptide screening; (ii) identification of inorganic-binding polypeptides and their engineering into inorganic-binding proteins; and (iii) protein-mediated inorganic nucleation and organization. Cuprous oxide (Cu2O), a p-type semiconductor, has been used to demonstrate all three steps. Zinc oxide (ZnO), an n-type semiconductor, has been used to show the generality of selected steps. Step (i), preparation of high quality inorganic substrates to select inorganic-binding polypeptides, was accomplished using electrochemical microfabrication to grow and pattern Cu2O and ZnO. Raman spectroscopy and x-ray photoelectron spectroscopy were used to verify phase purity and compositional stability of these surfaces during polypeptide screening. Step (ii), accomplished in collaboration with personnel in Prof Baneyx' lab at the University of Washington, involved incubating the inorganic substrates with the FliTrx(TM) random peptide library to identify cysteine-constrained dodecapeptides that bind the targeted inorganic. Insertion of a Cu2O-binding dodecapeptide into the DNA-binding protein TraI endowed the engineered TraI with strong affinity for Cu2O (Kd ≈ 10 -8 M). Finally, step (iii) involved nonequilibrium synthesis and organization of Cu2O nanoparticles, taking advantage of the inorganic and DNA recognition properties of the engineered TraI. The

  18. Structure-based engineering of a pectate lyase with improved specific activity for ramie degumming.

    PubMed

    Zhou, Zhanping; Liu, Yang; Chang, Zhenying; Wang, Huilin; Leier, André; Marquez-Lago, Tatiana T; Ma, Yanhe; Li, Jian; Song, Jiangning

    2017-04-01

    Biotechnological applications of microbial pectate lyases (Pels) in plant fiber processing are promising, eco-friendly substitutes for conventional chemical degumming processes. However, to potentiate the enzymes' use for industrial applications, resolving the molecular structure to elucidate catalytic mechanisms becomes necessary. In this manuscript, we report the high resolution (1.45 Å) crystal structure of pectate lyase (pelN) from Paenibacillus sp. 0602 in apo form. Through sequence alignment and structural superposition with other members of the polysaccharide lyase (PL) family 1 (PL1), we determined that pelN shares the characteristic right-handed β-helix and is structurally similar to other members of the PL1 family, while exhibiting key differences in terms of catalytic and substrate binding residues. Then, based on information from structure alignments with other PLs, we engineered a novel pelN. Our rational design yielded a pelN mutant with a temperature for enzymatic activity optimally shifted from 67.5 to 60 °C. Most importantly, this pelN mutant displayed both higher specific activity and ramie fiber degumming ability when compared with the wild-type enzyme. Altogether, our rational design method shows great potential for industrial applications. Moreover, we expect the reported high-resolution crystal structure to provide a solid foundation for future rational, structure-based engineering of genetically enhanced pelNs.

  19. Structural analysis and modeling reveals new mechanisms governing ESCRT-III spiral filament assembly

    PubMed Central

    Shen, Qing-Tao; Schuh, Amber L.; Zheng, Yuqing; Quinney, Kyle; Wang, Lei; Hanna, Michael; Mitchell, Julie C.; Otegui, Marisa S.; Ahlquist, Paul; Cui, Qiang

    2014-01-01

    The scission of biological membranes is facilitated by a variety of protein complexes that bind and manipulate lipid bilayers. ESCRT-III (endosomal sorting complex required for transport III) filaments mediate membrane scission during the ostensibly disparate processes of multivesicular endosome biogenesis, cytokinesis, and retroviral budding. However, mechanisms by which ESCRT-III subunits assemble into a polymer remain unknown. Using cryogenic electron microscopy (cryo-EM), we found that the full-length ESCRT-III subunit Vps32/CHMP4B spontaneously forms single-stranded spiral filaments. The resolution afforded by two-dimensional cryo-EM combined with molecular dynamics simulations revealed that individual Vps32/CHMP4B monomers within a filament are flexible and able to accommodate a range of bending angles. In contrast, the interface between monomers is stable and refractory to changes in conformation. We additionally found that the carboxyl terminus of Vps32/CHMP4B plays a key role in restricting the lateral association of filaments. Our findings highlight new mechanisms by which ESCRT-III filaments assemble to generate a unique polymer capable of membrane remodeling in multiple cellular contexts. PMID:25202029

  20. Structural basis for cyclization specificity of two Azotobacter type III polyketide synthases: a single amino acid substitution reverses their cyclization specificity.

    PubMed

    Satou, Ryutaro; Miyanaga, Akimasa; Ozawa, Hiroki; Funa, Nobutaka; Katsuyama, Yohei; Miyazono, Ken-ichi; Tanokura, Masaru; Ohnishi, Yasuo; Horinouchi, Sueharu

    2013-11-22

    Type III polyketide synthases (PKSs) show diverse cyclization specificity. We previously characterized two Azotobacter type III PKSs (ArsB and ArsC) with different cyclization specificity. ArsB and ArsC, which share a high sequence identity (71%), produce alkylresorcinols and alkylpyrones through aldol condensation and lactonization of the same polyketomethylene intermediate, respectively. Here we identified a key amino acid residue for the cyclization specificity of each enzyme by site-directed mutagenesis. Trp-281 of ArsB corresponded to Gly-284 of ArsC in the amino acid sequence alignment. The ArsB W281G mutant synthesized alkylpyrone but not alkylresorcinol. In contrast, the ArsC G284W mutant synthesized alkylresorcinol with a small amount of alkylpyrone. These results indicate that this amino acid residue (Trp-281 of ArsB or Gly-284 of ArsC) should occupy a critical position for the cyclization specificity of each enzyme. We then determined crystal structures of the wild-type and G284W ArsC proteins at resolutions of 1.76 and 1.99 Å, respectively. Comparison of these two ArsC structures indicates that the G284W substitution brings a steric wall to the active site cavity, resulting in a significant reduction of the cavity volume. We postulate that the polyketomethylene intermediate can be folded to a suitable form for aldol condensation only in such a relatively narrow cavity of ArsC G284W (and presumably ArsB). This is the first report on the alteration of cyclization specificity from lactonization to aldol condensation for a type III PKS. The ArsC G284W structure is significant as it is the first reported structure of a microbial resorcinol synthase.

  1. Transfer of C-terminal residues of human apolipoprotein A-I to insect apolipophorin III creates a two-domain chimeric protein with enhanced lipid binding activity.

    PubMed

    Horn, James V C; Ellena, Rachel A; Tran, Jesse J; Beck, Wendy H J; Narayanaswami, Vasanthy; Weers, Paul M M

    2017-08-01

    Apolipophorin III (apoLp-III) is an insect apolipoprotein (18kDa) that comprises a single five-helix bundle domain. In contrast, human apolipoprotein A-I (apoA-I) is a 28kDa two-domain protein: an α-helical N-terminal domain (residues 1-189) and a less structured C-terminal domain (residues 190-243). To better understand the apolipoprotein domain organization, a novel chimeric protein was engineered by attaching residues 179 to 243 of apoA-I to the C-terminal end of apoLp-III. The apoLp-III/apoA-I chimera was successfully expressed and purified in E. coli. Western blot analysis and mass spectrometry confirmed the presence of the C-terminal domain of apoA-I within the chimera. While parent apoLp-III did not self-associate, the chimera formed oligomers similar to apoA-I. The chimera displayed a lower α-helical content, but the stability remained similar compared to apoLp-III, consistent with the addition of a less structured domain. The chimera was able to solubilize phospholipid vesicles at a significantly higher rate compared to apoLp-III, approaching that of apoA-I. The chimera was more effective in protecting phospholipase C-treated low density lipoprotein from aggregation compared to apoLp-III. In addition, binding interaction of the chimera with phosphatidylglycerol vesicles and lipopolysaccharides was considerably improved compared to apoLp-III. Thus, addition of the C-terminal domain of apoA-I to apoLp-III created a two-domain protein, with self-association, lipid and lipopolysaccharide binding properties similar to apoA-I. The apoA-I like behavior of the chimera indicate that these properties are independent from residues residing in the N-terminal domain of apoA-I, and that they can be transferred from apoA-I to apoLp-III. Copyright © 2017 Elsevier B.V. All rights reserved.

  2. Me-3,2-HOPO Complexes of Near Infra-Red (NIR) Emitting Lanthanides: Efficient Sensitization of Yb(III) and Nd(III) in Aqueous Solution

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Moore, Evan G.; Xu, Jide; Dodani, Sheel

    2009-11-10

    The synthesis, X-ray structure, solution stability, and photophysical properties of several trivalent lanthanide complexes of Yb(III) and Nd(III) using both tetradentate and octadentate ligand design strategies and incorporating the 1-methyl-3-hydroxy-pyridin-2-one (Me-3,2-HOPO) chelate group are reported. Both the Yb(III) and Nd(III) complexes have emission bands in the Near Infra-Red (NIR) region, and this luminescence is retained in aqueous solution ({Phi}{sub tot}{sup Yb} {approx} 0.09-0.22%). Furthermore, the complexes demonstrate very high stability (pYb {approx} 18.8-21.9) in aqueous solution, making them good candidates for further development as probes for NIR imaging. Analysis of the low temperature (77 K) photophysical measurements for a modelmore » Gd(III) complex were used to gain an insight into the electronic structure, and were found to agree well with corresponding TD-DFT calculations at the B3LYP/6-311G{sup ++}(d,p) level of theory for a simplified model monovalent sodium complex.« less

  3. Crystal structure, spectral and thermal properties of 1,2-bis[2-(4,4,4-trifluoro-1-hydroxy-3-oxobut-1-enyl)phenoxy]-ethane and luminescent properties of its complexes with Al(III) and Eu(III)

    NASA Astrophysics Data System (ADS)

    Khamidullina, Liliya A.; Obydennov, Konstantin L.; Slepukhin, Pavel A.; Puzyrev, Igor S.

    2016-12-01

    Describing the crystal structure, packing, FT-IR, UV-Vis and NMR spectra and thermal properties of new polydentate O-ligand based on aryl-β-diketone moieties connected by ethylene glycol spacer is the subject of this article. The results of IR, UV-Vis and 1H NMR spectroscopy as well X-ray crystallography of 1,2-bis[2-(4,4,4-trifluoro-1-hydroxy-3-oxobut-1-enyl)phenoxy]-ethane (BTFPE) indicate that the compound exists in solution and in solid as enol. The crystal structure analysis shows that BTFPE has C2/c group of the monoclinic system. Typical S(6) intramolecular hydrogen bond occurs in each 1,3-diketo moiety. This bond is asymmetric and the H atom is closest to the O atom adjacent to the phenyl ring. The packing of the crystal is sustained by numerous Csbnd H⋯O, Osbnd H⋯F, Csbnd H⋯F interactions. In the crystal, supramolecular zig-zag chains are formed along the c-axis. Short contacts interconnect the molecules into a two-dimensional layered structure wherein each molecule is node between chains. According to the thermal investigation this compound is stable up to 200 °C in air atmosphere, above this temperature it decomposes. Photoluminescent properties of aluminum(III) and europium(III) complexes of BTFPE were evaluated in chloroform solution and in the solid state. Aluminum complex of BTFPE shows blue luminescence with maximum at 445 nm. Europium complex exhibits intense red color luminescence at 613 nm from central Eu(III) ion through the excitation of the ligand.

  4. Spectroscopic and Computational Investigation of Iron(III) Cysteine Dioxygenase: Implications for the Nature of the Putative Superoxo-Fe(III) Intermediate

    PubMed Central

    2015-01-01

    Cysteine dioxygenase (CDO) is a mononuclear, non-heme iron-dependent enzyme that converts exogenous cysteine (Cys) to cysteine sulfinic acid using molecular oxygen. Although the complete catalytic mechanism is not yet known, several recent reports presented evidence for an Fe(III)-superoxo reaction intermediate. In this work, we have utilized spectroscopic and computational methods to investigate the as-isolated forms of CDO, as well as Cys-bound Fe(III)CDO, both in the absence and presence of azide (a mimic of superoxide). An analysis of our electronic absorption, magnetic circular dichroism, and electron paramagnetic resonance data of the azide-treated as-isolated forms of CDO within the framework of density functional theory (DFT) computations reveals that azide coordinates directly to the Fe(III), but not the Fe(II) center. An analogous analysis carried out for Cys-Fe(III)CDO provides compelling evidence that at physiological pH, the iron center is six coordinate, with hydroxide occupying the sixth coordination site. Upon incubation of this species with azide, the majority of the active sites retain hydroxide at the iron center. Nonetheless, a modest perturbation of the electronic structure of the Fe(III) center is observed, indicating that azide ions bind near the active site. Additionally, for a small fraction of active sites, azide displaces hydroxide and coordinates directly to the Cys-bound Fe(III) center to generate a low-spin (S = 1/2) Fe(III) complex. In the DFT-optimized structure of this complex, the central nitrogen atom of the azide moiety lies within 3.12 Å of the cysteine sulfur. A similar orientation of the superoxide ligand in the putative Fe(III)-superoxo reaction intermediate would promote the attack of the distal oxygen atom on the sulfur of substrate Cys. PMID:25093959

  5. Fish community structure in natural and engineered habitats in the Kansas River

    USGS Publications Warehouse

    White, K.; Gerken, J.; Paukert, Craig P.; Makinster, Andrew S.

    2010-01-01

    We investigated fish assemblage structure in engineered (rip-rap) and natural habitats (log jams and mud banks) in the Kansas River USA to determine if natural structures had higher abundance and diversity of fishes at a local spatial scale. A total of 439 randomly selected sites were boat electrofished from May to August 2005 and 2006. Mean species diversity and richness were significantly higher in rip-rap than log jams and mud banks. Mean relative abundance (CPUE; number of fish collected per hour electrofishing) of six of the 15 most common fishes (>1% of total catch) were most abundant in rip-rap, two were most abundant in log jams, and none in mud banks. Rip-rap had the highest relative abundance of fluvial specialist and macrohabitat generalists, whereas mean CPUE of fluvial dependents was highest in log jams. Although a discriminant function analysis indicated that nine size classes (eight species) discriminated among three habitat types, the high misclassification rate (38%) suggested a high degree of fish assemblage overlap among the habitats. Although previous work has suggested that engineered structures (rip-rap) and urbanization are linked to reduced biotic diversity or reduced growth of fish species, our results suggest that at a local scale rip-rap may not have the same negative impacts on fish assemblages.

  6. Fish community structure in natural and engineered habitats in the Kansas river

    USGS Publications Warehouse

    White, K.; Gerken, J.; Paukert, C.; Makinster, A.

    2010-01-01

    We investigated fish assemblage structure in engineered (rip-rap) and natural habitats (log jams and mud banks) in the Kansas River USA to determine if natural structures had higher abundance and diversity of fishes at a local spatial scale. A total of 439 randomly selected sites were boat electrofished from May to August 2005 and 2006. Mean species diversity and richness were significantly higher in rip-rap than log jams and mud banks. Mean relative abundance (CPUE; number of fish collected per hour electrofishing) of six of the 15 most common fishes (>1% of total catch) were most abundant in rip-rap, two were most abundant in log jams, and none in mud banks. Rip-rap had the highest relative abundance of fluvial specialist and macrohabitat generalists, whereas mean CPUE of fluvial dependents was highest in log jams. Although a discriminant function analysis indicated that nine size classes (eight species) discriminated among three habitat types, the high misclassification rate (38%) suggested a high degree of fish assemblage overlap among the habitats. Although previous work has suggested that engineered structures (rip-rap) and urbanization are linked to reduced biotic diversity or reduced growth of fish species, our results suggest that at a local scale rip-rap may not have the same negative impacts on fish assemblages.

  7. Electron transfer and atom exchange between aqueous Fe(II) and structural Fe(III) in clays. Role in U and Hg(II) transformations

    DOE Office of Scientific and Technical Information (OSTI.GOV)

    Scherer, Michelle

    2016-08-31

    During this project, we investigated Fe electron transfer and atom exchange between aqueous Fe(II) and structural Fe(III) in clay minerals. We used selective chemical extractions, enriched Fe isotope tracer experiments, computational molecular modeling, and Mössbauer spectroscopy. Our findings indicate that structural Fe(III) in clay minerals is reduced by aqueous Fe(II) and that electron transfer occurs when Fe(II) is sorbed to either basal planes and edge OH-groups of clay mineral. Findings from highly enriched isotope experiments suggest that up to 30 % of the Fe atoms in the structure of some clay minerals exhanges with aqueous Fe(II). First principles calculations usingmore » a small polaron hopping approach suggest surprisingly fast electron mobility at room temperature in a nontronite clay mineral and are consistent with temperature dependent Mössbauer data Fast electron mobility suggests that electrons may be able to conduct through the mineral fast enough to enable exchange of Fe between the aqueous phase and clay mineral structure. over the time periods we observed. Our findings suggest that Fe in clay minerals is not as stable as previously thought.« less

  8. The role of order-disorder transitions in the quest for molecular multiferroics: structural and magnetic neutron studies of a mixed valence iron(II)-iron(III) formate framework.

    PubMed

    Cañadillas-Delgado, Laura; Fabelo, Oscar; Rodríguez-Velamazán, J Alberto; Lemée-Cailleau, Marie-Hélène; Mason, Sax A; Pardo, Emilio; Lloret, Francesc; Zhao, Jiong-Peng; Bu, Xian-He; Simonet, Virginie; Colin, Claire V; Rodríguez-Carvajal, Juan

    2012-12-05

    Neutron diffraction studies have been carried out to shed light on the unprecedented order-disorder phase transition (ca. 155 K) observed in the mixed-valence iron(II)-iron(III) formate framework compound [NH(2)(CH(3))(2)](n)[Fe(III)Fe(II)(HCOO)(6)](n). The crystal structure at 220 K was first determined from Laue diffraction data, then a second refinement at 175 K and the crystal structure determination in the low temperature phase at 45 K were done with data from the monochromatic high resolution single crystal diffractometer D19. The 45 K nuclear structure reveals that the phase transition is associated with the order-disorder of the dimethylammonium counterion that is weakly anchored in the cavities of the [Fe(III)Fe(II)(HCOO)(6)](n) framework. In the low-temperature phase, a change in space group from P31c to R3c occurs, involving a tripling of the c-axis due to the ordering of the dimethylammonium counterion. The occurrence of this nuclear phase transition is associated with an electric transition, from paraelectric to antiferroelectric. A combination of powder and single crystal neutron diffraction measurements below the magnetic order transition (ca. 37 K) has been used to determine unequivocally the magnetic structure of this Néel N-Type ferrimagnet, proving that the ferrimagnetic behavior is due to a noncompensation of the different Fe(II) and Fe(III) magnetic moments.

  9. Acetate-Bridged Platinum(III) Complexes Derived from Cisplatin

    PubMed Central

    Wilson, Justin J.

    2012-01-01

    Oxidation of the acetate-bridged half-lantern platinum(II) complex, cis-[PtII(NH3)2(µ-OAc)2PtII(NH3)2](NO3)2, [1](NO3)2, with iodobenzene dichloride or bromine generates the halide-capped platinum(III) species, cis-[XPtIII(NH3)2(µ-OAc)2PtIII(NH3)2X](NO3)2, where X is Cl in [2](NO3)2, or Br in [3](NO3)2, respectively. These three complexes, characterized structurally by X-ray crystallography, feature short (≈ 2.6 Å) Pt–Pt separations, consistent with formation of a formal metal-metal bond upon oxidation. Elongated axial Pt–X distances occur, reflecting the strong trans influence of the metal-metal bond. The three structures are compared to those of other known dinuclear platinum complexes. A combination of 1H, 13C, 14N, and 195Pt NMR spectroscopy was used to characterize [1]2+–[3]2+ in solution. All resonances shift downfield upon oxidation of [1]2+ to [2]2+ and [3]2+. For the platinum(III) complexes, the 14N and 195Pt resonances exhibit decreased linewidths by comparison to those of [1]2+. Density functional theory (DFT) calculations suggest that the decrease in 14N linewidth arises from a diminished electric field gradient (EFG) at the 14N nuclei in the higher valent compounds. The oxidation of [1](NO3)2 with the alternative oxidizing agent, bis(trifluoroacetoxy) iodobenzene, affords the novel tetranuclear complex, cis-[(O2CCF3)PtIII(NH3)2(µ-OAc)2PtIII(NH3)(µ-NH2)]2(NO3)4, [4](NO3)4, also characterized structurally by X-ray crystallography. In solution, this complex exists as a mixture of species, the identities of which are proposed. PMID:22946515

  10. The extracellular matrix: Structure, composition, age-related differences, tools for analysis and applications for tissue engineering.

    PubMed

    Kular, Jaspreet K; Basu, Shouvik; Sharma, Ram I

    2014-01-01

    The extracellular matrix is a structural support network made up of diverse proteins, sugars and other components. It influences a wide number of cellular processes including migration, wound healing and differentiation, all of which is of particular interest to researchers in the field of tissue engineering. Understanding the composition and structure of the extracellular matrix will aid in exploring the ways the extracellular matrix can be utilised in tissue engineering applications especially as a scaffold. This review summarises the current knowledge of the composition, structure and functions of the extracellular matrix and introduces the effect of ageing on extracellular matrix remodelling and its contribution to cellular functions. Additionally, the current analytical technologies to study the extracellular matrix and extracellular matrix-related cellular processes are also reviewed.

  11. Structure of a bacterial type III secretion system in contact with a host membrane in situ.

    PubMed

    Nans, Andrea; Kudryashev, Mikhail; Saibil, Helen R; Hayward, Richard D

    2015-12-11

    Many bacterial pathogens of animals and plants use a conserved type III secretion system (T3SS) to inject virulence effector proteins directly into eukaryotic cells to subvert host functions. Contact with host membranes is critical for T3SS activation, yet little is known about T3SS architecture in this state or the conformational changes that drive effector translocation. Here we use cryo-electron tomography and sub-tomogram averaging to derive the intact structure of the primordial Chlamydia trachomatis T3SS in the presence and absence of host membrane contact. Comparison of the averaged structures demonstrates a marked compaction of the basal body (4 nm) occurs when the needle tip contacts the host cell membrane. This compaction is coupled to a stabilization of the cytosolic sorting platform-ATPase. Our findings reveal the first structure of a bacterial T3SS from a major human pathogen engaged with a eukaryotic host, and reveal striking 'pump-action' conformational changes that underpin effector injection.

  12. Structure of a bacterial type III secretion system in contact with a host membrane in situ

    NASA Astrophysics Data System (ADS)

    Nans, Andrea; Kudryashev, Mikhail; Saibil, Helen R.; Hayward, Richard D.

    2015-12-01

    Many bacterial pathogens of animals and plants use a conserved type III secretion system (T3SS) to inject virulence effector proteins directly into eukaryotic cells to subvert host functions. Contact with host membranes is critical for T3SS activation, yet little is known about T3SS architecture in this state or the conformational changes that drive effector translocation. Here we use cryo-electron tomography and sub-tomogram averaging to derive the intact structure of the primordial Chlamydia trachomatis T3SS in the presence and absence of host membrane contact. Comparison of the averaged structures demonstrates a marked compaction of the basal body (4 nm) occurs when the needle tip contacts the host cell membrane. This compaction is coupled to a stabilization of the cytosolic sorting platform-ATPase. Our findings reveal the first structure of a bacterial T3SS from a major human pathogen engaged with a eukaryotic host, and reveal striking `pump-action' conformational changes that underpin effector injection.

  13. Growth of thermophilic and hyperthermophilic Fe(III)-reducing microorganisms on a ferruginous smectite as the sole electron acceptor.

    PubMed

    Kashefi, Kazem; Shelobolina, Evgenya S; Elliott, W Crawford; Lovley, Derek R

    2008-01-01

    Recent studies have suggested that the structural Fe(III) within phyllosilicate minerals, including smectite and illite, is an important electron acceptor for Fe(III)-reducing microorganisms in sedimentary environments at moderate temperatures. The reduction of structural Fe(III) by thermophiles, however, has not previously been described. A wide range of thermophilic and hyperthermophilic Archaea and Bacteria from marine and freshwater environments that are known to reduce poorly crystalline Fe(III) oxides were tested for their ability to reduce structural (octahedrally coordinated) Fe(III) in smectite (SWa-1) as the sole electron acceptor. Two out of the 10 organisms tested, Geoglobus ahangari and Geothermobacterium ferrireducens, were not able to conserve energy to support growth by reduction of Fe(III) in SWa-1 despite the fact that both organisms were originally isolated with solid-phase Fe(III) as the electron acceptor. The other organisms tested were able to grow on SWa-1 and reduced 6.3 to 15.1% of the Fe(III). This is 20 to 50% less than the reported amounts of Fe(III) reduced in the same smectite (SWa-1) by mesophilic Fe(III) reducers. Two organisms, Geothermobacter ehrlichii and archaeal strain 140, produced copious amounts of an exopolysaccharide material, which may have played an active role in the dissolution of the structural iron in SWa-1 smectite. The reduction of structural Fe(III) in SWa-1 by archaeal strain 140 was studied in detail. Microbial Fe(III) reduction was accompanied by an increase in interlayer and octahedral charges and some incorporation of potassium and magnesium into the smectite structure. However, these changes in the major element chemistry of SWa-1 smectite did not result in the formation of an illite-like structure, as reported for a mesophilic Fe(III) reducer. These results suggest that thermophilic Fe(III)-reducing organisms differ in their ability to reduce and solubilize structural Fe(III) in SWa-1 smectite and that SWa-1

  14. Growth of Thermophilic and Hyperthermophilic Fe(III)-Reducing Microorganisms on a Ferruginous Smectite as the Sole Electron Acceptor▿

    PubMed Central

    Kashefi, Kazem; Shelobolina, Evgenya S.; Elliott, W. Crawford; Lovley, Derek R.

    2008-01-01

    Recent studies have suggested that the structural Fe(III) within phyllosilicate minerals, including smectite and illite, is an important electron acceptor for Fe(III)-reducing microorganisms in sedimentary environments at moderate temperatures. The reduction of structural Fe(III) by thermophiles, however, has not previously been described. A wide range of thermophilic and hyperthermophilic Archaea and Bacteria from marine and freshwater environments that are known to reduce poorly crystalline Fe(III) oxides were tested for their ability to reduce structural (octahedrally coordinated) Fe(III) in smectite (SWa-1) as the sole electron acceptor. Two out of the 10 organisms tested, Geoglobus ahangari and Geothermobacterium ferrireducens, were not able to conserve energy to support growth by reduction of Fe(III) in SWa-1 despite the fact that both organisms were originally isolated with solid-phase Fe(III) as the electron acceptor. The other organisms tested were able to grow on SWa-1 and reduced 6.3 to 15.1% of the Fe(III). This is 20 to 50% less than the reported amounts of Fe(III) reduced in the same smectite (SWa-1) by mesophilic Fe(III) reducers. Two organisms, Geothermobacter ehrlichii and archaeal strain 140, produced copious amounts of an exopolysaccharide material, which may have played an active role in the dissolution of the structural iron in SWa-1 smectite. The reduction of structural Fe(III) in SWa-1 by archaeal strain 140 was studied in detail. Microbial Fe(III) reduction was accompanied by an increase in interlayer and octahedral charges and some incorporation of potassium and magnesium into the smectite structure. However, these changes in the major element chemistry of SWa-1 smectite did not result in the formation of an illite-like structure, as reported for a mesophilic Fe(III) reducer. These results suggest that thermophilic Fe(III)-reducing organisms differ in their ability to reduce and solubilize structural Fe(III) in SWa-1 smectite and that SWa-1

  15. Hybrid III-V/silicon lasers

    NASA Astrophysics Data System (ADS)

    Kaspar, P.; Jany, C.; Le Liepvre, A.; Accard, A.; Lamponi, M.; Make, D.; Levaufre, G.; Girard, N.; Lelarge, F.; Shen, A.; Charbonnier, P.; Mallecot, F.; Duan, G.-H.; Gentner, J.-.; Fedeli, J.-M.; Olivier, S.; Descos, A.; Ben Bakir, B.; Messaoudene, S.; Bordel, D.; Malhouitre, S.; Kopp, C.; Menezo, S.

    2014-05-01

    The lack of potent integrated light emitters is one of the bottlenecks that have so far hindered the silicon photonics platform from revolutionizing the communication market. Photonic circuits with integrated light sources have the potential to address a wide range of applications from short-distance data communication to long-haul optical transmission. Notably, the integration of lasers would allow saving large assembly costs and reduce the footprint of optoelectronic products by combining photonic and microelectronic functionalities on a single chip. Since silicon and germanium-based sources are still in their infancy, hybrid approaches using III-V semiconductor materials are currently pursued by several research laboratories in academia as well as in industry. In this paper we review recent developments of hybrid III-V/silicon lasers and discuss the advantages and drawbacks of several integration schemes. The integration approach followed in our laboratory makes use of wafer-bonded III-V material on structured silicon-on-insulator substrates and is based on adiabatic mode transfers between silicon and III-V waveguides. We will highlight some of the most interesting results from devices such as wavelength-tunable lasers and AWG lasers. The good performance demonstrates that an efficient mode transfer can be achieved between III-V and silicon waveguides and encourages further research efforts in this direction.

  16. Reverse engineering of wörner type drilling machine structure.

    NASA Astrophysics Data System (ADS)

    Wibowo, A.; Belly, I.; llhamsyah, R.; Indrawanto; Yuwana, Y.

    2018-03-01

    A product design needs to be modified based on the conditions of production facilities and existing resource capabilities without reducing the functional aspects of the product itself. This paper describes the reverse engineering process of the main structure of the wörner type drilling machine to obtain a machine structure design that can be made by resources with limited ability by using simple processes. Some structural, functional and the work mechanism analyzes have been performed to understand the function and role of each basic components. The process of dismantling of the drilling machine and measuring each of the basic components was performed to obtain sets of the geometry and size data of each component. The geometric model of each structure components and the machine assembly were built to facilitate the simulation process and machine performance analysis that refers to ISO standard of drilling machine. The tolerance stackup analysis also performed to determine the type and value of geometrical and dimensional tolerances, which could affect the ease of the components to be manufactured and assembled

  17. Grain boundary engineering for structure materials of nuclear reactors

    NASA Astrophysics Data System (ADS)

    Tan, L.; Allen, T. R.; Busby, J. T.

    2013-10-01

    Grain boundary engineering (GBE), primarily implemented by thermomechanical processing, is an effective and economical method of enhancing the properties of polycrystalline materials. Among the factors affecting grain boundary character distribution, literature data showed definitive effect of grain size and texture. GBE is more effective for austenitic stainless steels and Ni-base alloys compared to other structural materials of nuclear reactors, such as refractory metals, ferritic and ferritic-martensitic steels, and Zr alloys. GBE has shown beneficial effects on improving the strength, creep strength, and resistance to stress corrosion cracking and oxidation of austenitic stainless steels and Ni-base alloys.

  18. Ceramics and composites for rocket engines and space structures

    NASA Astrophysics Data System (ADS)

    Upadhya, Kamleshwar

    1992-05-01

    The use of ceramic and other nonmetallic composites is considered for engine and structural elements of the National Aerospace Plane (NASP), the Space Shuttle, and space stations. Attention is given to the application of refractory composites with protective coatings for oxidation and hydrogen contamination to the NASP to address the high-temperature environments the vehicle is expected to encounter. Existing applications of metal-matrix composite struts and Gr-Ep cargo-bay doors on the Space Shuttle are reviewed, and the need for more data on the service life and failure modes of the materials is identified.

  19. Overview of Lightweight Structures for Rotorcraft Engines and Drivetrains

    NASA Technical Reports Server (NTRS)

    Roberts, Gary D.

    2011-01-01

    This is an overview presentation of research being performed in the Advanced Materials Task within the NASA Subsonic Rotary Wing Project. This research is focused on technology areas that address both national goals and project goals for advanced rotorcraft. Specific technology areas discussed are: (1) high temperature materials for advanced turbines in turboshaft engines; (2) polymer matrix composites for lightweight drive system components; (3) lightweight structure approaches for noise and vibration control; and (4) an advanced metal alloy for lighter weight bearings and more reliable mechanical components. An overview of the technology in each area is discussed, and recent accomplishments are presented.

  20. Engineering the electronic structure of graphene superlattices via Fermi velocity modulation

    NASA Astrophysics Data System (ADS)

    Lima, Jonas R. F.

    2017-01-01

    Graphene superlattices have attracted much research interest in the last years, since it is possible to manipulate the electronic properties of graphene in these structures. It has been verified that extra Dirac points appear in the electronic structure of the system. The electronic structure in the vicinity of these points has been studied for a gapless and gapped graphene superlattice and for a graphene superlattice with a spatially modulated energy gap. In each case a different behavior was obtained. In this work we show that via Fermi velocity engineering it is possible to tune the electronic properties of a graphene superlattice to match all the previous cases studied. We also obtained new features of the system never observed before, reveling that the electronic structure of graphene is very sensitive to the modulation of the Fermi velocity. The results obtained here are relevant for the development of novel graphene-based electronic devices.

  1. Reconstruction of structure and function in tissue engineering of solid organs: Toward simulation of natural development based on decellularization.

    PubMed

    Zheng, Chen-Xi; Sui, Bing-Dong; Hu, Cheng-Hu; Qiu, Xin-Yu; Zhao, Pan; Jin, Yan

    2018-04-27

    Failure of solid organs, such as the heart, liver, and kidney, remains a major cause of the world's mortality due to critical shortage of donor organs. Tissue engineering, which uses elements including cells, scaffolds, and growth factors to fabricate functional organs in vitro, is a promising strategy to mitigate the scarcity of transplantable organs. Within recent years, different construction strategies that guide the combination of tissue engineering elements have been applied in solid organ tissue engineering and have achieved much progress. Most attractively, construction strategy based on whole-organ decellularization has become a popular and promising approach, because the overall structure of extracellular matrix can be well preserved. However, despite the preservation of whole structure, the current constructs derived from decellularization-based strategy still perform partial functions of solid organs, due to several challenges, including preservation of functional extracellular matrix structure, implementation of functional recellularization, formation of functional vascular network, and realization of long-term functional integration. This review overviews the status quo of solid organ tissue engineering, including both advances and challenges. We have also put forward a few techniques with potential to solve the challenges, mainly focusing on decellularization-based construction strategy. We propose that the primary concept for constructing tissue-engineered solid organs is fabricating functional organs based on intact structure via simulating the natural development and regeneration processes. Copyright © 2018 John Wiley & Sons, Ltd.

  2. Control of Fe(III) site occupancy on the rate and extent of microbial reduction of Fe(III) in nontronite

    USGS Publications Warehouse

    Jaisi, Deb P.; Kukkadapu, R.K.; Eberl, D.D.; Dong, H.

    2005-01-01

    A quantitative study was performed to understand how Fe(III) site occupancy controls Fe(III) bioreduction in nontronite by Shewanella putrefaciens CN32. NAu-1 and NAu-2 were nontronites and contained Fe(III) in different structural sites with 16 and 23% total iron (w/w), respectively, with almost all iron as Fe(III). Mo??ssbauer spectroscopy showed that Fe(III) was present in the octahedral site in NAu-1 (with a small amount of goethite), but in both the tetrahedral and the octahedral sites in NAu-2. Mo??ssbauer data further showed that the octahedral Fe(III) in NAu-2 existed in at least two environments- trans (M1) and cis (M2) sites. The microbial Fe(III) reduction in NAu-1 and NAu-2 was studied in batch cultures at a nontronite concentration of 5 mg/mL in bicarbonate buffer with lactate as the electron donor. The unreduced and bioreduced nontronites were characterized by X-ray diffraction (XRD), Mo??ssbauer spectroscopy, and transmission electron microscopy (TEM). In the presence of an electron shuttle, anthraquinone-2,6-disulfonate (AQDS), the extent of bioreduction was 11%-16% for NAu-1 but 28%-32% for NAu-2. The extent of reduction in the absence of AQDS was only 5%-7% for NAu-1 but 14%-18% for NAu-2. The control experiments with heat killed cells and without cells did not show any appreciable reduction (<2%). The extent of reduction in experiments performed with a dialysis membrane to separate cells from clays (without AQDS) was 2%-3% for NAu-1 but 5%-7% for NAu-2, suggesting that cells probably released an electron shuttling compound and/or Fe(III) chelator. The reduction rate was also faster in NAu-2 than that in NAu-1. Mo??ssbauer data of the bioreduced nontronite materials indicated that the Fe(III) reduction in NAu-1 was mostly from the presence of goethite, whereas the reduction in NAu-2 was due to the presence of the tetrahedral and trans-octahedral Fe(III) in the structure. The measured aqueous Fe(II) was negligible. As a result of bioreduction, the

  3. Aluminum affects heterogeneous Fe(III) (Hydr)oxide nucleation, growth, and ostwald ripening.

    PubMed

    Hu, Yandi; Li, Qingyun; Lee, Byeongdu; Jun, Young-Shin

    2014-01-01

    Heterogeneous coprecipitation of iron and aluminum oxides is an important process for pollutant immobilization and removal in natural and engineered aqueous environments. Here, using a synchrotron-based small-angle X-ray scattering technique, we studied heterogeneous nucleation and growth of Fe(III) (hydr)oxide on quartz under conditions found in acid mine drainage (at pH = 3.7 ± 0.2, [Fe(3+)] = 10(-4) M) with different initial aqueous Al/Fe ratios (0:1, 1:1, and 5:1). Interestingly, although the atomic ratios of Al/Fe in the newly formed Fe(III) (hydr)oxide precipitates were less than 1%, the in situ particle size and volume evolutions of the precipitates on quartz were significantly influenced by aqueous Al/Fe ratios. At the end of the 3 h experiments, with aqueous Al/Fe ratios of 0:1, 1:1, and 5:1, the average radii of gyration of particles on quartz were 5.7 ± 0.3, 4.6 ± 0.1, and 3.7 ± 0.3 nm, respectively, and the ratio of total particle volumes on quartz was 1.7:3.4:1.0. The Fe(III) (hydr)oxide precipitates were poorly crystallized, and were positively charged in all solutions. In the presence of Al(3+), Al(3+) adsorption onto quartz changed the surface charge of quartz from negative to positive, which caused the slower heterogeneous growth of Fe(III) (hydr)oxide on quartz. Furthermore, Al affected the amount of water included in the Fe(III) (hydr)oxides, which can influence their adsorption capacity. This study yielded important information usable for pollutant removal not only in natural environments, but also in engineered water treatment processes.

  4. Crystal structure and infrared spectra of dicesium trans-tetraaquadichlorochromium(III) chloride

    NASA Astrophysics Data System (ADS)

    Neumann, E.; Stefov, V.; Šoptrajanov, B.; Engelen, B.; Lutz, H. D.

    2004-12-01

    The crystal structure of dicesium trans-tetraaquadichlorochromium(III) chloride Cs 2Cr IIICl 5·4H 2O with trans-[M IIIX 2(H 2O) 4] + complex ions (space group C2/c, Z=4, a=1915.3(4) pm, b=614.1(1) pm, c=1392.0(3) pm, and β=118.24(3)°, final R1=0.0246 for 2100 unique reflections) was redetermined by single-crystal X-ray diffraction studies. It was found to crystallize in a 2c super structure of the structure reported previously (Inorg. Chem. 20 (1981) 1566; Inorg. Chem. 36 (1997) 2248). The obtained structure data now agree with the results of infrared spectroscopic studies, which has been confirmed in this work, namely that there are two different hydrate H 2O molecules in the structure. Phase transitions, static or dynamic disorder of the hydrate H 2O molecules, and space group C2/m proposed in the literature were ruled out. The coordinates of the four hydrogen positions derived from the X-ray data have been improved via the O-H distances derived from the wave numbers of the OD stretching modes of matrix isolated HDO molecules (2426, 2323, and 2306 cm -1, 263 K) by using the νOD versus rO-H correlation curve reported in the literature (J. Mol. Struct. 404 (1997) 63). The νOD versus rH⋯Cl correlation curve reported by Mikenda (J. Mol. Struct. 147 (1986) 1) should be improved, especially for strong hydrogen bonds. The two hydrate H 2O molecules of the title compound are strongly distorted with a weak and a relatively strong O-H⋯Cl hydrogen bond each thus intramolecular coupling of the two OH stretching vibrations to coupled ones is largely reduced and, hence, the wavenumbers of the OH and OD stretching modes of the HDO molecules mainly resemble those of the H 2O and D 2O molecules. The strength of the hydrogen bonds is in accordance with the predictions of the competitive and synergetic effects. Chloro ligands are weaker hydrogen bond acceptor groups than chloride ions.

  5. Avoid, Control, Succumb, or Balance: Engineering Students' Approaches to a Wicked Sustainability Problem

    NASA Astrophysics Data System (ADS)

    Lönngren, Johanna; Ingerman, Åke; Svanström, Magdalena

    2017-08-01

    Wicked sustainability problems (WSPs) are an important and particularly challenging type of problem. Science and engineering education can play an important role in preparing students to deal with such problems, but current educational practice may not adequately prepare students to do so. We address this gap by providing insights related to students' abilities to address WSPs. Specifically, we aim to (I) describe key constituents of engineering students' approaches to a WSP, (II) evaluate these approaches in relation to the normative context of education for sustainable development (ESD), and (III) identify relevant aspects of learning related to WSPs. Aim I is addressed through a phenomenographic study, while aims II and III are addressed by relating the results to research literature about human problem solving, sustainable development, and ESD. We describe four qualitatively different ways of approaching a specific WSP, as the outcome of the phenomenographic study: A. Simplify and avoid, B. Divide and control, C. Isolate and succumb, and D. Integrate and balance. We identify approach D as the most appropriate approach in the context of ESD, while A and C are not. On this basis, we identify three learning objectives related to students' abilities to address WSPs: learn to use a fully integrative approach, distinguish WSPs from tame and well-structured problems, and understand and consider the normative context of SD. Finally, we provide recommendations for how these learning objectives can be used to guide the design of science and engineering educational activities.

  6. Spiky Fine Structure of Type III-like Radio Bursts in Absorption

    NASA Astrophysics Data System (ADS)

    Chernov, G. P.; Yan, Y. H.; Tan, C. M.; Chen, B.; Fu, Q. J.

    2010-03-01

    An uncommon fine structure in the radio spectrum consisting of bursts in absorption was observed with the Chinese Solar Broadband Radiospectrometer (SBRS) in the frequency range of 2.6 - 3.8 GHz during an X3.4/4B flare on 13 December 2006 in active region NOAA 10930 (S05W33). Usual fine structures in emission such as spikes, zebra stripes, and drifting fibers were observed at the peak of every new flare brightening. Within an hour at the decay phase of the event we observed bursts consisting of spikes in absorption, which pulsated periodically in frequency. Their instantaneous frequency bandwidths were found to be in the 75 MHz range. Moreover, in the strongest Type III-like bursts in absorption, the spikes showed stripes of the zebra-pattern (ZP) that drifted to higher frequencies. All spikes had the duration as short as down to the limit of the instrument resolution of ≈8 ms. The TRACE 195 Å images indicate that the magnetic reconnection at this moment occurred in the western edge of the flare loop arcade. Taking into account the presence of the reverse-drifting bursts in emission, in the course of the restoration of the magnetic structures in the corona, the acceleration of the beams of fast particles must have occurred both upward and downward at different heights. The upward beams will be captured by the magnetic trap, where the loss-cone distribution of fast particles (responsible for the emission of continuum and ZP) were formed. An additional injection of fast particles will fill the loss-cone later, breaking the loss-cone distribution. Therefore, the generation of continuum will be quenched at these moments, which was evidenced by the formation of bursts in absorption.

  7. From Geometry to Diagnosis: Experiences of Geomatics in Structural Engineering

    NASA Astrophysics Data System (ADS)

    Riveiro, B.; Arias, P.; Armesto, J.; Caamaño, J. C.; Solla, M.

    2012-07-01

    Terrestrial photogrammetry and laser scanning are technologies that have been successfully used for metric surveying and 3D modelling in many different fields (archaeological and architectural documentation, industrial retrofitting, mining, structural monitoring, road surveying, etc.). In the case of structural applications, these techniques have been successfully applied to 3D modelling and sometimes monitoring; but they have not been sufficiently implemented to date, as routine tools in infrastructure management systems, in terms of automation of data processing and integration in the condition assessment procedures. In this context, this paper presents a series of experiences in the usage of terrestrial photogrammetry and laser scanning in the context of dimensional and structural evaluation of structures. These experiences are particularly focused on historical masonry structures, but modern prestressed concrete bridges are also investigated. The development of methodological procedures for data collection, and data integration in some cases, is tackled for each particular structure (with access limitations, geometrical configuration, range of measurement, etc.). The accurate geometrical information provided by both terrestrial techniques motivates the implementation of such results in the complex, and sometimes slightly approximated, geometric scene that is frequently used in structural analysis. In this sense, quantitative evaluating of the influence of real and accurate geometry in structural analysis results must be carried out. As main result in this paper, a series of experiences based on the usage of photogrammetric and laser scanning to structural engineering are presented.

  8. Structural elucidation, EPR and magnetic property of a Co(III) complex salt incorporating 4,4‧-bipyridine and 5-sulfoisophthalate

    NASA Astrophysics Data System (ADS)

    Das, Kuheli; Datta, Amitabha; Pevec, Andrej; Mane, Sandeep B.; Rameez, Mohammad; Garribba, Eugenio; Akitsu, Takashiro; Tanka, Shinnosuke

    2018-01-01

    The cobalt(III) derivative [Co3(sip)4(bipy)2(H2O)10][Co(bipy)2(H2O)4]3(sip)2·20H2O (1) has been hydro(solvo) thermally synthesized by combining sodium 5-sulfoisophthalate (sipH2Na) as organic linker, divalent cobalt nitrate hexahydrate as metal salt and the flexible N-donor ancillary ligand bipy (4,4‧-bipyridine). Compound 1 is an ionic solid consisting of both cobalt containing cations and anions and also in addition 5-sulfoisophthalate anions. Cobalt containing cations in the crystal structure are mononuclear complex while cobalt containing anion is a discrete trinuclear species. The π-π interaction present in 1 results in chain supramolecular structure. The encapsulation of the cobalt compound displays a moderate luminescent property. On temperature dependent magnetic study, it is revealed that the corresponding effective magnetic moment is 5.27 B.M. at 300 K, which suggests isolated Co(III) species with S = 2 (theoretical value is 4.90 B M.) and thus 1 shows a rare paramagnetic behavior.

  9. Conformational Dynamics of DNA Repair by Escherichia coli Endonuclease III*

    PubMed Central

    Kuznetsov, Nikita A.; Kladova, Olga A.; Kuznetsova, Alexandra A.; Ishchenko, Alexander A.; Saparbaev, Murat K.; Zharkov, Dmitry O.; Fedorova, Olga S.

    2015-01-01

    Escherichia coli endonuclease III (Endo III or Nth) is a DNA glycosylase with a broad substrate specificity for oxidized or reduced pyrimidine bases. Endo III possesses two types of activities: N-glycosylase (hydrolysis of the N-glycosidic bond) and AP lyase (elimination of the 3′-phosphate of the AP-site). We report a pre-steady-state kinetic analysis of structural rearrangements of the DNA substrates and uncleavable ligands during their interaction with Endo III. Oligonucleotide duplexes containing 5,6-dihydrouracil, a natural abasic site, its tetrahydrofuran analog, and undamaged duplexes carried fluorescent DNA base analogs 2-aminopurine and 1,3-diaza-2-oxophenoxazine as environment-sensitive reporter groups. The results suggest that Endo III induces several fast sequential conformational changes in DNA during binding, lesion recognition, and adjustment to a catalytically competent conformation. A comparison of two fluorophores allowed us to distinguish between the events occurring in the damaged and undamaged DNA strand. Combining our data with the available structures of Endo III, we conclude that this glycosylase uses a multistep mechanism of damage recognition, which likely involves Gln41 and Leu81 as DNA lesion sensors. PMID:25869130

  10. A class III chitinase without disulfide bonds from the fern, Pteris ryukyuensis: crystal structure and ligand-binding studies.

    PubMed

    Kitaoku, Yoshihito; Umemoto, Naoyuki; Ohnuma, Takayuki; Numata, Tomoyuki; Taira, Toki; Sakuda, Shohei; Fukamizo, Tamo

    2015-10-01

    We first solved the crystal structure of class III catalytic domain of a chitinase from fern (PrChiA-cat), and found a structural difference between PrChiA-cat and hevamine. PrChiA-cat was found to have reduced affinities to chitin oligosaccharides and allosamidin. Plant class III chitinases are subdivided into enzymes with three disulfide bonds and those without disulfide bonds. We here referred to the former enzymes as class IIIa chitinases and the latter as class IIIb chitinases. In this study, we solved the crystal structure of the class IIIb catalytic domain of a chitinase from the fern Pteris ryukyuensis (PrChiA-cat), and compared it with that of hevamine, a class IIIa chitinase from Hevea brasiliensis. PrChiA-cat was found to adopt an (α/β)8 fold typical of GH18 chitinases in a similar manner to that of hevamine. However, PrChiA-cat also had two large loops that extruded from the catalytic site, and the corresponding loops in hevamine were markedly smaller than those of PrChiA-cat. An HPLC analysis of the enzymatic products revealed that the mode of action of PrChiA-cat toward chitin oligosaccharides, (GlcNAc) n (n = 4-6), differed from those of hevamine and the other class IIIa chitinases. The binding affinities of (GlcNAc)3 and (GlcNAc)4 toward the inactive mutant of PrChiA-cat were determined by isothermal titration calorimetry, and were markedly lower than those toward other members of the GH18 family. The affinity and the inhibitory activity of allosamidin toward PrChiA-cat were also lower than those toward the GH18 chitinases investigated to date. Several hydrogen bonds found in the crystal structure of hevamine-allosamidin complex were missing in the modeled structure of PrChiA-cat-allosamidin complex. The structural findings for PrChiA-cat successfully interpreted the functional data presented.

  11. Shape-engineering substrate-based plasmonic nanomaterials

    NASA Astrophysics Data System (ADS)

    Gilroy, Kyle D.

    The advancement of next generation technologies is reliant on our ability to engineer matter at the nanoscale. Since the morphological features of nanomaterials dictate their chemical and physical properties, a significant effort has been put forth to develop syntheses aimed at fine tuning their size, shape and composition. This massive effort has resulted in a maturing colloidal chemistry containing an extensive collection of morphologies with compositions nearly spanning the entire transition of the periodic table. While colloidal nanoparticles have opened the door to promising applications in fields such as cancer theranostics, drug delivery, catalysis and sensing; the synthetic protocols for the placement of nanomaterials on surfaces, a requisite for chip-based devices, are ill-developed. This dissertation serves to address this limitation by highlighting a series of syntheses related to the design of substrate-based nanoparticles whose size, shape and composition are controllably engineered to a desired endpoint. The experimental methods are based on a template-mediated approach which sees chemical modifications made to prepositioned thermally assembled metal nanostructures which are well bonded to a sapphire substrate. The first series of investigations will highlight synthetic routes utilizing galvanic replacement reactions, where the prepositioned templates are chemically transformed into hollow nanoshells. Detailed studies are provided highlighting discoveries related to (i) hollowing, (ii) defect transfer, (iii) strain induction, (iv) interdiffusion, (v) crystal structure and (vi) the localized surface plasmon resonance (LSPR). The second series of investigations, based on heterogeneous nucleation, have Au templates serve as nucleation sites for metal atoms arriving in either the solution- or vapor phase. The solution-phase heterogeneous nucleation of Ag on Au reveals that chemical kinetics (injection rate & precursor concentration) can be used to control

  12. The Engineered Adjustment Classroom: Parent Manual.

    ERIC Educational Resources Information Center

    Heater, Jim

    Presented is a manual for parents of children in the Papillion (Nebraska) Title III elementary level "engineered classroom" program which stresses accomplishment of academic goals by emotionally disturbed students. Explained are the concept of behavioral modification, how children learn, practical aspects of negative and positive…

  13. Transactional, Cooperative, and Communal: Relating the Structure of Engineering Engagement Programs with the Nature of Partnerships

    ERIC Educational Resources Information Center

    Thompson, Julia D.; Jesiek, Brent K.

    2017-01-01

    This paper examines how the structural features of engineering engagement programs (EEPs) are related to the nature of their service-learning partnerships. "Structure" refers to formal and informal models, processes, and operations adopted or used to describe engagement programs, while "nature" signifies the quality of…

  14. Thermal Design and Analysis of an ISS Science Payload - SAGE III on ISS

    NASA Technical Reports Server (NTRS)

    Liles, Kaitlin, A. K.; Amundsen, Ruth M.; Davis, Warren T.; Carrillo, Laurie Y.

    2017-01-01

    The Stratospheric Aerosol and Gas Experiment III (SAGE III) instrument is the fifth in a series of instruments developed for monitoring aerosols and gaseous constituents in the stratosphere and troposphere. SAGE III will be launched in the SpaceX Dragon vehicle in 2017 and mounted to an external stowage platform on the International Space Station (ISS) to begin its three-year mission. The SAGE III thermal team at NASA Langley Research Center (LaRC) worked with ISS thermal engineers to ensure that SAGE III, as an ISS payload, would meet requirements specific to ISS and the Dragon vehicle. This document presents an overview of the SAGE III thermal design and analysis efforts, focusing on aspects that are relevant for future ISS payload developers. This includes development of detailed and reduced Thermal Desktop (TD) models integrated with the ISS and launch vehicle models, definition of analysis cases necessary to verify thermal requirements considering all mission phases from launch through installation and operation on-orbit, and challenges associated with thermal hardware selection including heaters, multi-layer insulation (MLI) blankets, and thermal tapes.

  15. Understanding the Mechanism of Magnetic Relaxation in Pentanuclear {MnIVMnIII2LnIII2} Single-Molecule Magnets.

    PubMed

    Vignesh, Kuduva R; Langley, Stuart K; Moubaraki, Boujemaa; Murray, Keith S; Rajaraman, Gopalan

    2018-02-05

    A new family of heterometallic pentanuclear complexes of formulas [Mn IV Mn III 2 Ln III 2 O 2 (benz) 4 (mdea) 3 (NO 3 ) 2 (MeOH)] (Ln = Dy (1-Dy), Tb (2-Tb), Gd (3-Gd), Eu (4-Eu), Sm (5-Sm), Nd (6-Nd), Pr (7-Pr); benz(H) = benzoic acid; mdeaH 2 = N-methyldiethanolamine) and [Mn IV Mn III 2 Ln III 2 O 2 (o-tol) 4 (mdea) 3 (NO 3 ) 2 (MeOH)] (Ln = Gd (8-Gd), Eu (9-Eu); o-tol(H) = o-toluic acid) have been isolated and structurally, magnetically, and theoretically characterized. dc magnetic susceptibility measurements reveal dominant antiferromagnetic magnetic interactions for each complex, except for 2-Tb and 3-Gd, which reveal an upturn in the χ M T product at low temperatures. The magnetic interactions between the spin centers in the Gd derivatives, 3-Gd and 8-Gd, which display markedly different χ M T vs T profiles, were found to be due to the interactions of the Gd III -Gd III ions which change from ferromagnetic (3-Gd) to antiferromagnetic (8-Gd) due to structural differences. ac magnetic susceptibility measurements reveal a nonzero out-of-phase component for 1-Dy and 7-Pr, but no maxima were observed above 2 K (H dc = 0 Oe), which suggests single-molecule magnet (SMM) behavior. Out-of-phase signals were observed for complexes 2-Tb, 4-Eu, 8-Gd, and 9-Eu, in the presence of a static dc field (H dc = 2000, 3000 Oe). The anisotropic nature of the lanthanide ions in the benzoate series (1-Dy, 2-Tb, 5-Sm, 6-Nd, and 7-Pr) were thoroughly investigated using ab initio methods. CASSCF calculations predict that the origin of SMM behavior in 1-Dy and 7-Pr and the applied field SMM behavior in 2-Tb does not solely originate from the single-ion anisotropy of the lanthanide ions. To fully understand the relaxation mechanism, we have employed the Lines model to fit the susceptibility data using the POLY_ANISO program, which suggests that the zero-field SMM behavior observed in complexes 1-Dy and 7-Pr is due to weak Mn III/IV -Ln III and Ln III -Ln III couplings and an

  16. Amphiphilic complexes of Ho(iii), Dy(iii), Tb(iii) and Eu(iii) for optical and high field magnetic resonance imaging.

    PubMed

    Harris, Michael; Henoumont, Céline; Peeters, Wannes; Toyouchi, Shuichi; Vander Elst, Luce; Parac-Vogt, Tatjana N

    2018-05-29

    Lanthanides, holmium(iii), dysprosium(iii), and terbium(iii), were coordinated to an amphiphilic DOTA bis-coumarin derivative and then further assembled with an amphiphilic europium(iii) DTPA bis-coumarin derivative into mono-disperse micelles. The self-assembled micelles were characterized and assessed for their potential as bimodal contrast agents for high field magnetic resonance and optical imaging applications. All micelles showed a high transverse relaxation (r2) of 46, 34, and 30 s-1 mM-1 at 500 MHz and 37 °C for Dy(iii), Ho(iii) and Tb(iii), respectively, which is a result of the high magnetic moment of these lanthanides and the long rotational correlation time of the micelles. The quantum yield in aqueous solution ranged from 1.8% for Tb/Eu to 1.4% for Dy/Eu and 1.0% for the Ho/Eu micelles. Multi-photon excited emission spectroscopy has shown that due to the two-photon absorption of the coumarin chromophore the characteristic Eu(iii) emission could be observed upon excitation at 800 nm, demonstrating the usefulness of the system for in vivo fluorescence imaging applications. To the best of our knowledge, this is the first example reporting the potential of a holmium(iii) chelate as a negative MRI contrast agent.

  17. Spectroscopic characterization of III-V semiconductor nanomaterials

    NASA Astrophysics Data System (ADS)

    Crankshaw, Shanna Marie

    III-V semiconductor materials form a broad basis for optoelectronic applications, including the broad basis of the telecom industry as well as smaller markets for high-mobility transistors. In a somewhat analogous manner as the traditional silicon logic industry has so heavily depended upon process manufacturing development, optoelectronics often relies instead on materials innovations. This thesis focuses particularly on III-V semiconductor nanomaterials, detailed characterization of which is invaluable for translating the exhibited behavior into useful applications. Specifically, the original research described in these thesis chapters is an investigation of semiconductors at a fundamental materials level, because the nanostructures in which they appear crystallize in quite atypical forms for the given semiconductors. Rather than restricting the experimental approaches to any one particular technique, many different types of optical spectroscopies are developed and applied where relevant to elucidate the connection between the crystalline structure and exhibited properties. In the first chapters, for example, a wurtzite crystalline form of the prototypical zincblende III-V binary semiconductor, GaAs, is explored through polarization-dependent Raman spectroscopy and temperature-dependent photoluminescence, as well as second-harmonic generation (SHG). The altered symmetry properties of the wurtzite crystalline structure are particularly evident in the Raman and SHG polarization dependences, all within a bulk material realm. A rather different but deeply elegant aspect of crystalline symmetry in GaAs is explored in a separate study on zincblende GaAs samples quantum-confined in one direction, i.e. quantum well structures, whose quantization direction corresponds to the (110) direction. The (110) orientation modifies the low-temperature electron spin relaxation mechanisms available compared to the usual (001) samples, leading to altered spin coherence times explored

  18. Modal nudging in nonlinear elasticity: Tailoring the elastic post-buckling behaviour of engineering structures

    NASA Astrophysics Data System (ADS)

    Cox, B. S.; Groh, R. M. J.; Avitabile, D.; Pirrera, A.

    2018-07-01

    The buckling and post-buckling behaviour of slender structures is increasingly being harnessed for smart functionalities. Equally, the post-buckling regime of many traditional engineering structures is not being used for design and may therefore harbour latent load-bearing capacity for further structural efficiency. Both applications can benefit from a robust means of modifying and controlling the post-buckling behaviour for a specific purpose. To this end, we introduce a structural design paradigm termed modal nudging, which can be used to tailor the post-buckling response of slender engineering structures without any significant increase in mass. Modal nudging uses deformation modes of stable post-buckled equilibria to perturb the undeformed baseline geometry of the structure imperceptibly, thereby favouring the seeded post-buckling response over potential alternatives. The benefits of this technique are enhanced control over the post-buckling behaviour, such as modal differentiation for smart structures that use snap-buckling for shape adaptation, or alternatively, increased load-carrying capacity, increased compliance or a shift from imperfection sensitivity to imperfection insensitivity. Although these concepts are, in theory, of general applicability, we concentrate here on planar frame structures analysed using the nonlinear finite element method and numerical continuation procedures. Using these computational techniques, we show that planar frame structures may exhibit isolated regions of stable equilibria in otherwise unstable post-buckling regimes, or indeed stable equilibria entirely disconnected from the natural structural response. In both cases, the load-carrying capacity of these isolated stable equilibria is greater than the natural structural response of the frames. Using the concept of modal nudging it is possible to "nudge" the frames onto these equilibrium paths of greater load-carrying capacity. Due to the scale invariance of modal nudging

  19. Structural design of Stirling engine with free pistons

    NASA Astrophysics Data System (ADS)

    Matusov, Jozef; Gavlas, Stanislav; Malcho, Milan

    2014-08-01

    Stirling engine is a device that converts thermal energy to mechanical work, which is mostly used to drive a generator of electricity. Advantage of Stirling engine is that it works with closed-cycle, where working medium is regularly cooled and heated, which acts on the working piston. This engine can be made in three modifications - alpha, beta, gamma. This paper discusses the design of the gamma Stirling engine with free pistons.

  20. How to Retain Postgraduate Students in Engineering Programmes: A Practical Perspective

    ERIC Educational Resources Information Center

    Le, Khoa N.; Tam, Vivian W. Y.

    2008-01-01

    Six factors for pursuing an engineering postgraduate programme at Griffith University including (i) programme quality; (ii) employment prospects; (iii) practicality; (iv) personal interest; (v) popularity; and (vi) reputation; and 11 factors for not pursuing this engineering programme including (i) employment prospects; (ii) degree of difficulty;…