Nucleation and growth of electrodeposited Mn oxide rods for supercapacitor electrodes

NASA Astrophysics Data System (ADS)

Clark, Michael; Ivey, Douglas G.

2015-09-01

The nucleation and growth of electrodeposited Mn oxide rods has been investigated by preparing deposits on Au coated Si at varying deposition times between 0.5 s and 10 min. The deposits were investigated using high resolution scanning and transmission electron microscopy. A model for the nucleation and growth of Mn oxide rods has been proposed. Nucleation begins as thin sheets along Au grain boundaries and triple points. As these nucleation sites are consumed, nucleation spreads across the grains. Nucleation of sheets in close proximity causes agglomeration and the formation of rounded particles. Some of these rounded particles then accelerate in growth, initially in all directions and then primarily in the direction normal to the sample surface. Accelerated growth normal to the sample surface leads to the formation of rods. As rods grow, the growth of other particles accelerates and they become rods themselves. Eventually the entire sample surface is covered with rods 15-20 μm long and about 2 μm wide. The sheet-like morphology of the deposits is retained at all stages of deposition. Electron diffraction analysis of 3 s and 6 s deposits shows that the sheets are initially amorphous and then begin to crystallize into a cubic spinel Mn3O4 crystal structure. High resolution imaging of the 6 s sample shows small crystalline regions (˜5 nm in size) within an amorphous matrix.

Bouquet-Like Mn2SnO4 Nanocomposite Engineered with Graphene Sheets as an Advanced Lithium-Ion Battery Anode.

PubMed

Rehman, Wasif Ur; Xu, Youlong; Sun, Xiaofei; Ullah, Inam; Zhang, Yuan; Li, Long

2018-05-30

Volume expansion is a major challenge associated with tin oxide (SnO x ), which causes poor cyclability in lithium-ion battery anode. Bare tin dioxide (SnO 2 ), tin dioxide with graphene sheets (SnO 2 @GS), and bouquet-like nanocomposite structure (Mn 2 SnO 4 @GS) are prepared via hydrothermal method followed by annealing. The obtained composite material presents a bouquet structure containing manganese and tin oxide nanoparticle network with graphene sheets. Benefiting from this porous nanostructure, in which graphene sheets provide high electronic pathways to enhance the electronic conductivity, uniformly distributed particles offer accelerated kinetic reaction with lithium ion and reduced volume deviation in the tin dioxide (SnO 2 ) particle during charge-discharge testing. As a consequence, ternary composite Mn 2 SnO 4 @GS showed a high rate performance and outstanding cyclability of anode material for lithium-ion batteries. The electrode achieved a specific capacity of about 1070 mA h g -1 at a current density of 400 mA g -1 after 200 cycles; meanwhile, the electrode still delivered a specific capacity of about 455 mA h g -1 at a high current density of 2500 mA g -1 . Ternary Mn 2 SnO 4 @GS material could facilitate fabrication of unique structure and conductive network as advanced lithium-ion battery.

One-step synthesis of graphene nanoribbon-MnO2 hybrids and their all-solid-state asymmetric supercapacitors

NASA Astrophysics Data System (ADS)

Liu, Mingkai; Tjiu, Weng Weei; Pan, Jisheng; Zhang, Chao; Gao, Wei; Liu, Tianxi

2014-03-01

Three-dimensional (3D) hierarchical hybrid nanomaterials (GNR-MnO2) of graphene nanoribbons (GNR) and MnO2 nanoparticles have been prepared via a one-step method. GNR, with unique features such as high aspect ratio and plane integrity, has been obtained by longitudinal unzipping of multi-walled carbon nanotubes (CNTs). By tuning the amount of oxidant used, different mass loadings of MnO2 nanoparticles have been uniformly deposited on the surface of GNRs. Asymmetric supercapacitors have been fabricated with the GNR-MnO2 hybrid as the positive electrode and GNR sheets as the negative electrode. Due to the desirable porous structure, excellent electrical conductivity, as well as high rate capability and specific capacitances of both the GNR and GNR-MnO2 hybrid, the optimized GNR//GNR-MnO2 asymmetric supercapacitor can be cycled reversibly in an enlarged potential window of 0-2.0 V. In addition, the fabricated GNR//GNR-MnO2 asymmetric supercapacitor exhibits a significantly enhanced maximum energy density of 29.4 W h kg-1 (at a power density of 12.1 kW kg-1), compared with that of the symmetric cells based on GNR-MnO2 hybrids or GNR sheets. This greatly enhanced energy storage ability and high rate capability can be attributed to the homogeneous dispersion and excellent pseudocapacitive performance of MnO2 nanoparticles and the high electrical conductivity of the GNRs.Three-dimensional (3D) hierarchical hybrid nanomaterials (GNR-MnO2) of graphene nanoribbons (GNR) and MnO2 nanoparticles have been prepared via a one-step method. GNR, with unique features such as high aspect ratio and plane integrity, has been obtained by longitudinal unzipping of multi-walled carbon nanotubes (CNTs). By tuning the amount of oxidant used, different mass loadings of MnO2 nanoparticles have been uniformly deposited on the surface of GNRs. Asymmetric supercapacitors have been fabricated with the GNR-MnO2 hybrid as the positive electrode and GNR sheets as the negative electrode. Due to the desirable porous structure, excellent electrical conductivity, as well as high rate capability and specific capacitances of both the GNR and GNR-MnO2 hybrid, the optimized GNR//GNR-MnO2 asymmetric supercapacitor can be cycled reversibly in an enlarged potential window of 0-2.0 V. In addition, the fabricated GNR//GNR-MnO2 asymmetric supercapacitor exhibits a significantly enhanced maximum energy density of 29.4 W h kg-1 (at a power density of 12.1 kW kg-1), compared with that of the symmetric cells based on GNR-MnO2 hybrids or GNR sheets. This greatly enhanced energy storage ability and high rate capability can be attributed to the homogeneous dispersion and excellent pseudocapacitive performance of MnO2 nanoparticles and the high electrical conductivity of the GNRs. Electronic supplementary information (ESI) available. See DOI: 10.1039/c3nr06650a

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

Sanjeewa, Liurukara. D.; McGuire, Michael A.; McMillen, Colin D.

We synthesized new complex manganese vanadate materials as high-quality single crystals in multi-millimeter lengths using a high-temperature, high-pressure hydrothermal method. We grew one compound, Mn 5(VO 4) 2(OH) 4, from Mn 2O 3 and V 2O 5 in 3 M CsOH at 580 °C and 1.5 kbar. Changing the mineralizer to 1 M CsOH/3MCsCl leads to the formation of another product, Mn 6O(VO 4) 2(OH). Both compounds were structurally characterized by single-crystal X-ray diffraction (Mn 5(VO 4) 2(OH) 4: C2/m, Z = 2, a = 9.6568(9) Å, b = 9.5627(9) Å, c = 5.4139(6) Å, β = 98.529(8)°; Mn 6O(VOmore » 4) 2(OH): P21/m, Z = 2, a = 8.9363(12) Å, b = 6.4678(8) Å, c = 10.4478(13) Å, β = 99.798(3)°), revealing interesting low-dimensional transition-metal features. Mn 5(VO 4) 2(OH) 4 possesses complex honeycomb-type Mn–O layers, built from edge-sharing [MnO 6] octahedra in the bc plane, with bridging vanadate groups connecting these layers along the a-axis. Mn 6O(VO 4) 2(OH) presents a more complicated structure with both octahedral [MnO 6] and trigonal bipyramidal [MnO 5] units. A different pattern of planar honeycomb sheets are formed by edge-shared [MnO6] octahedra, and these sublattices are connected through edge-shared dimers of [MnO 5] trigonal bipyramids to form corrugated sheets. Vanadate groups again condense the sheets into a three-dimensional framework. Infrared and Raman spectroscopies indicated the presence of OH groups and displayed characteristic Raman scattering due to vanadate groups. Furthermore, temperature-dependent magnetic studies indicated Curie–Weiss behavior above 100 K with significant anti-ferromagnetic coupling for both compounds, with further complex magnetic behavior at lower temperatures. The data indicate canted anti-ferromagnetic order below 57 K in Mn 5(VO 4) 2(OH) 4 and below 45 K in Mn 6O(VO 4) 2(OH). Members of another class of compounds, K 2M 3(VO 4) 2(OH) 2 (M = Mn, Co), also containing a honeycomb-type sublattice, were also synthesized to allow a comparison of the structural features across all three structure types and to demonstrate extension to other transition metals.« less

One-step synthesis of graphene nanoribbon-MnO₂ hybrids and their all-solid-state asymmetric supercapacitors.

PubMed

Liu, Mingkai; Tjiu, Weng Weei; Pan, Jisheng; Zhang, Chao; Gao, Wei; Liu, Tianxi

2014-04-21

Three-dimensional (3D) hierarchical hybrid nanomaterials (GNR-MnO₂) of graphene nanoribbons (GNR) and MnO₂ nanoparticles have been prepared via a one-step method. GNR, with unique features such as high aspect ratio and plane integrity, has been obtained by longitudinal unzipping of multi-walled carbon nanotubes (CNTs). By tuning the amount of oxidant used, different mass loadings of MnO₂ nanoparticles have been uniformly deposited on the surface of GNRs. Asymmetric supercapacitors have been fabricated with the GNR-MnO₂ hybrid as the positive electrode and GNR sheets as the negative electrode. Due to the desirable porous structure, excellent electrical conductivity, as well as high rate capability and specific capacitances of both the GNR and GNR-MnO₂ hybrid, the optimized GNR//GNR-MnO₂ asymmetric supercapacitor can be cycled reversibly in an enlarged potential window of 0-2.0 V. In addition, the fabricated GNR//GNR-MnO₂ asymmetric supercapacitor exhibits a significantly enhanced maximum energy density of 29.4 W h kg(-1) (at a power density of 12.1 kW kg(-1)), compared with that of the symmetric cells based on GNR-MnO₂ hybrids or GNR sheets. This greatly enhanced energy storage ability and high rate capability can be attributed to the homogeneous dispersion and excellent pseudocapacitive performance of MnO₂ nanoparticles and the high electrical conductivity of the GNRs.

Template-free fabrication of graphene-wrapped mesoporous ZnMn2O4 nanorings as anode materials for lithium-ion batteries.

PubMed

Zhou, Weiwei; Wang, Dong; Zhao, Limin; Ding, Chunyan; Jia, Xingtao; Du, Yu; Wen, Guangwu; Wang, Huatao

2017-06-16

We rationally designed a facile two-step approach to synthesize ZnMn 2 O 4 @G composite anode material for lithium-ion batteries (LIBs), involving a template-free fabrication of ZnMn 2 O 4 nanorings and subsequent coating of graphene sheets. Notably, it is the first time that ring-like ZnMn 2 O 4 nanostructure is reported. Moreover, our system has been demonstrated to be quite powerful in producing ZnMn 2 O 4 nanorings regardless of the types of Zn and Mn-containing metal salts reactants. The well-known inside-out Ostwald ripening process is tentatively proposed to clarify the formation mechanism of the hollow nanorings. When evaluated as anode material for LIBs, the resulting ZnMn 2 O 4 @G hybrid displays significantly improved lithium-storage performance with high specific capacity, good rate capability, and excellent cyclability. After 500 cycles, the ZnMn 2 O 4 @G hybrid can still deliver a reversible capacity of 958 mAh g -1 at a current density of 200 mA g -1 , much higher than the theoretical capacity of 784 mAh g -1 for pure ZnMn 2 O 4 . The outstanding electrochemical performance should be reasonably ascribed to the synergistic interaction between hollow and porous ZnMn 2 O 4 nanorings and the three-dimensional interconnected graphene sheets.

Mechanical Drafting with CAD. Teacher Edition.

ERIC Educational Resources Information Center

McClain, Gerald R.

This instructor's manual contains 13 units of instruction for a course on mechanical drafting with options for using computer-aided drafting (CAD). Each unit includes some or all of the following basic components of a unit of instruction: objective sheet, suggested activities for the teacher, assignment sheets and answers to assignment sheets,…

Solar Heating Systems: Student Manual.

ERIC Educational Resources Information Center

Green, Joanne; And Others

This Student Manual for a Solar Heating System curriculum contains 22 units of instructional materials for students to use in a course or courses on solar heating systems (see note). For each unit (task), objectives, assignment sheets, laboratory assignments, information sheets, checkpoints (tests), and job sheets are provided. Materials are set…

Nuclear Data Sheets for A = 70

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

Gürdal, G.; McCutchan, E.A.

2016-09-15

Spectroscopic data for all nuclei with mass number A = 70 have been evaluated, and the corresponding level schemes from radioactive decay and reaction studies are presented. Since the previous evaluation, the half-life of {sup 70}Mn has been measured and excited states in {sup 70}Fe observed for the first time. Excited states in {sup 70}Ni have been more extensively studied while Coulomb excitation and collinear laser spectroscopy measurements in {sup 70}Cu have allowed for firm Jπ assignments. Despite new measurements, there remain some discrepancies in half-lives of low lying states in {sup 70}Zn. New measurements have extended the knowledge ofmore » high-spin band structures in {sup 70}Ge and {sup 70}As. This evaluation supersedes the prior A = 70 evaluation of 2004Tu09.« less

Honeycomb-like S = 5/2 Spin–Lattices in Manganese(II) Vanadates

DOE PAGES

Sanjeewa, Liurukara. D.; McGuire, Michael A.; McMillen, Colin D.; ...

2016-08-26

We synthesized new complex manganese vanadate materials as high-quality single crystals in multi-millimeter lengths using a high-temperature, high-pressure hydrothermal method. We grew one compound, Mn 5(VO 4) 2(OH) 4, from Mn 2O 3 and V 2O 5 in 3 M CsOH at 580 °C and 1.5 kbar. Changing the mineralizer to 1 M CsOH/3MCsCl leads to the formation of another product, Mn 6O(VO 4) 2(OH). Both compounds were structurally characterized by single-crystal X-ray diffraction (Mn 5(VO 4) 2(OH) 4: C2/m, Z = 2, a = 9.6568(9) Å, b = 9.5627(9) Å, c = 5.4139(6) Å, β = 98.529(8)°; Mn 6O(VOmore » 4) 2(OH): P21/m, Z = 2, a = 8.9363(12) Å, b = 6.4678(8) Å, c = 10.4478(13) Å, β = 99.798(3)°), revealing interesting low-dimensional transition-metal features. Mn 5(VO 4) 2(OH) 4 possesses complex honeycomb-type Mn–O layers, built from edge-sharing [MnO 6] octahedra in the bc plane, with bridging vanadate groups connecting these layers along the a-axis. Mn 6O(VO 4) 2(OH) presents a more complicated structure with both octahedral [MnO 6] and trigonal bipyramidal [MnO 5] units. A different pattern of planar honeycomb sheets are formed by edge-shared [MnO6] octahedra, and these sublattices are connected through edge-shared dimers of [MnO 5] trigonal bipyramids to form corrugated sheets. Vanadate groups again condense the sheets into a three-dimensional framework. Infrared and Raman spectroscopies indicated the presence of OH groups and displayed characteristic Raman scattering due to vanadate groups. Furthermore, temperature-dependent magnetic studies indicated Curie–Weiss behavior above 100 K with significant anti-ferromagnetic coupling for both compounds, with further complex magnetic behavior at lower temperatures. The data indicate canted anti-ferromagnetic order below 57 K in Mn 5(VO 4) 2(OH) 4 and below 45 K in Mn 6O(VO 4) 2(OH). Members of another class of compounds, K 2M 3(VO 4) 2(OH) 2 (M = Mn, Co), also containing a honeycomb-type sublattice, were also synthesized to allow a comparison of the structural features across all three structure types and to demonstrate extension to other transition metals.« less

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

Investigation of the mineralogy and the sorption mechanism of Ni, Cu, Co and Mo by turbostratic phyllomanganates of Mn-nodules from the eastern equatorial Pacific Ocean using XAS

NASA Astrophysics Data System (ADS)

Wegorzewski, A.; Webb, S.; Grangeon, S.; Kuhn, T.

2016-12-01

Mn-nodules are Mn-Fe (oxy)hydroxides bearing high amounts of economically important metals such as Ni, Cu, Co, Mo, as well as high field strength elements. According to that nodules are interesting for science and industry. Especially the sorption sites of metals (Ni, Cu, Mo) by the mineral phases are important to understand their coordination environment and further to tailor a specific metallurgical treatment in order to optimize the metal extraction procedure. Nodules used for this study were sampled from the German license area within the Clarion Clipperton Zone in the Pacific. These nodules grow on the seafloor in 4200 m depth by metal precipitation from oxic (hydrogenetic growth) and/or suboxic waters (suboxic diagenetic growth; Halbach et al., 1988). They show a complex texture characterized by irregular, concentrically banded nm- to µm-thick layered growth structures (LGS). Electronmicroprobe and X-ray diffraction analyses reveal: suboxic diagenetic LGS have high Mn/Fe ratios (9-826; Mn ≈ 40 wt. %; Fe ≈ 0.5 wt %), high Ni (0.3-2.6 wt %) and Cu (0.5-3.0 wt %) contents but low Co content (0.02±0.01 wt %). Mineralogically those LGS are turbostratic phyllomanganates (vernadite), which consist of [MnO6]-octahedral layers, separated from each other by cations (e.g., Na, Mg) and water in the interlayer, forming 7 and 10 Å phyllomanganates (Bode et al., 2007). In contrast hydrogenetic LGS show low Mn/Fe ratios (<5), low Ni+Cu content (<1 wt%) but enrichment in Co (≤0.5 wt%). Those LGS are of δ-MnO2, which is epitaxially intergrown with an amorphous FeOOH phase. In general, phyllomanganates have a high opportunity to incorporate metals due to their negative layer charge deficit cause by abundant isomorphic substitution of Mn4+ by Mn3+ and vacancies within MnO2 sheets. The negative charge deficit can be balanced by hydrated interlayer cations (e.g., Na, Mg) or due to metals adsorption at cation vacancy sites, incorporation into the MnO2 sheet and/or adsorption at lateral edge surfaces (Peacock, 2009; Pena et al., 2015). A special emphasis of this study was to determine the boundings of Ni, Cu, Co and Mo by the Mn-mineral phases of nodules. X-ray absorption spectroscopy analyses show that metals such as Ni, Cu, Co are rather incorporated into MnO2 sheets than adsorbed as inner-sphere complexes over/below vacancies, like Mo.

Thermal stability of Mn-Ir-based specular spin valve structure

NASA Astrophysics Data System (ADS)

Yoon, S. Y.; Lee, D. H.; Jeon, D. M.; Kim, J. H.; Yoon, D. H.; Suh, S. J.

2004-05-01

We studied the thermal properties of specular and conventional spin valves. The specular spin valve showed better thermal properties (e.g. slow MR degradation and sheet resistance increment) than those of conventional spin valve. It is considered that the Mn-Co-Fe-O is formed in the NOL at 543-578 K and this acts as a diffusion barrier for Mn during high-temperature annealing process.

Structural Directed Growth of Ultrathin Parallel Birnessite on β-MnO2 for High-Performance Asymmetric Supercapacitors.

PubMed

Zhu, Shijin; Li, Li; Liu, Jiabin; Wang, Hongtao; Wang, Tian; Zhang, Yuxin; Zhang, Lili; Ruoff, Rodney S; Dong, Fan

2018-02-27

Two-dimensional birnessite has attracted attention for electrochemical energy storage because of the presence of redox active Mn 4+ /Mn 3+ ions and spacious interlayer channels available for ions diffusion. However, current strategies are largely limited to enhancing the electrical conductivity of birnessite. One key limitation affecting the electrochemical properties of birnessite is the poor utilization of the MnO 6 unit. Here, we assemble β-MnO 2 /birnessite core-shell structure that exploits the exposed crystal face of β-MnO 2 as the core and ultrathin birnessite sheets that have the structure advantage to enhance the utilization efficiency of the Mn from the bulk. Our birnessite that has sheets parallel to each other is found to have unusual crystal structure with interlayer spacing, Mn(III)/Mn(IV) ratio and the content of the balancing cations differing from that of the common birnessite. The substrate directed growth mechanism is carefully investigated. The as-prepared core-shell nanostructures enhance the exposed surface area of birnessite and achieve high electrochemical performances (for example, 657 F g -1 in 1 M Na 2 SO 4 electrolyte based on the weight of parallel birnessite) and excellent rate capability over a potential window of up to 1.2 V. This strategy opens avenues for fundamental studies of birnessite and its properties and suggests the possibility of its use in energy storage and other applications. The potential window of an asymmetric supercapacitor that was assembled with this material can be enlarged to 2.2 V (in aqueous electrolyte) with a good cycling ability.

Synthesis and Microstructural Characterization of Manganese Oxide Electrodes for Application as Electrochemical Supercapacitors

NASA Astrophysics Data System (ADS)

Babakhani, Banafsheh

The aim of this thesis work was to synthesize Mn-based oxide electrodes with high surface area structures by anodic electrodeposition for application as electrochemical capacitors. Rod-like structures provide large surface areas leading to high specific capacitances. Since templated electrosynthesis of rods is not easy to use in practical applications, it is more desirable to form rod-like structures without using any templates. In this work, Mn oxide electrodes with rod-like structures (˜1.5 µm in diameter) were synthesized from a solution of 0.01 M Mn acetate under galvanostatic control without any templates, on Au coated Si substrates. The electrochemical properties of the synthesized nanocrystalline electrodes were investigated to determine the effect of morphology, chemistry and crystal structure on the corresponding electrochemical behavior of Mn oxide electrodes. Mn oxides prepared at different current densities showed a defective antifluoritetype crystal structure. The rod-like Mn oxide electrodes synthesized at low current densities (5 mAcm.2) exhibited a high specific capacitance due to their large surface areas. Also, specific capacity retention after 250 cycles in an aqueous solution of 0.5 M Na2SO4 at 100 mVs -1 was about 78% of the initial capacity (203 Fg-1 ). To improve the electrochemical capacitive behavior of Mn oxide electrodes, a sequential approach and a one-step method were adopted to synthesize Mn oxide/PEDOT electrodes through anodic deposition on Au coated Si substrates from aqueous solutions. In the former case, free standing Mn oxide rods (about 10 µm long and less than 1.5 µm in diameter) were first synthesized, then coated by electro-polymerization of a conducting polymer (PEDOT) giving coaxial rods. The one-step, co-electrodeposition method produced agglomerated Mn oxide/PEDOT particles. The electrochemical behavior of the deposits depended on the morphology and crystal structure of the fabricated electrodes, which were affected by the composition and pH of the electrolyte, temperature, current density and polymer deposition time. Mn oxide/PEDOT coaxial core/shell rods consisted of MnO2 with an antifluorite-type structure coated with amorphous PEDOT. The Mn oxide/PEDOT coaxial core/shell electrodes prepared by the sequential method showed significantly better specific capacity and redox performance properties relative to both uncoated Mn oxide rods and co- electrodeposited Mn oxide/PEDOT electrodes. The best specific capacitance for Mn oxide/PEDOT rods produced sequentially was ˜295 F g-1 with ˜92% retention after 250 cycles in 0.5 M Na2SO4 at 100 mV s-1. To further improve the electrochemical capacitive behavior of Mn oxide electrodes, Co-doped and Fe-doped Mn oxide electrodes with a rod-like morphology and antifluorite-type crystal structure were synthesized by anodic electrodeposition, on Au coated Si substrates, from dilute solutions of Mn acetate and Co sulphate and Mn acetate and Fe chloride. Also, Mn-Co oxide/PEDOT coaxial core/shell rods were synthesized by applying a shell of PEDOT on Mn-Co oxide electrodes. Mn-Co oxide/PEDOT electrodes consisted of MnO2, with partial Co 2+ and Co3+ ion substitution for Mn4+, and amorphous PEDOT. Mn-Fe oxide electrodes consisted of MnO2, with partial Fe2+ and Fe3+ ion substitution for Mn4+. Electrochemical analysis showed that the capacitance values for all deposits increased with increasing scan rate to 100 mVs -1, and then decreased after 100 mVs-1. The Mn-Co oxide/PEDOT electrodes showed improved specific capacity and electrochemical cyclability relative to uncoated Mn-Co oxides and Mn-Fe oxides. Mn-Co oxide/PEDOT electrodes with rod-like structures had high capacitances (up to 310 Fg -1) at a scan rate of 100 mVs-1 and maintained their capacitance after 500 cycles in 0.5 M Na2SO4 (91% retention). Capacitance reduction for the deposits was mainly due to the loss of Mn ions by dissolution in the electrolyte solution. To better understand the nucleation and growth mechanisms of Mn oxide electrodes, the effects of supersaturation ratio on the morphology and crystal structure of electrodeposited Mn oxide were studied. By changing deposition parameters, including deposition current density, electrolyte composition, pH and temperature, a series of nanocrystalline Mn oxide electrodes with various morphologies (continuous coatings, rod-like structures, aggregated rods and thin sheets) and an antifluorite-type crystal structure was obtained. Mn oxide thin sheets showed instantaneous nucleation and single crystalline growth; rods had a mix of instantaneous/progressive nucleation and polycrystalline growth and continuous coatings formed by progressive nucleation and polycrystalline growth. Electrochemical analysis revealed the best capacitance behaviour obtained for Mn oxide thin sheets followed by Mn oxide rods, with dimensions on the microscale, and then continuous coatings. The highest specific capacitance (˜230 Fg-1) and capacitance retention rates (˜88%) were obtained for Mn oxide thin sheets after 250 cycles in 0.5 M Na2 SO4 at 20 mVs-1.

Nanomodified Carbon/Carbon Composites for Intermediate Temperature

DTIC Science & Technology

2007-08-31

Carbon nanofibers (CNF) are manufactured by Applied Sciences Inc ./Pyrograf® Products by pyrolytic decomposition of methane in the presence of iron-based...Using PT-30 Resin," Carbon 41 (5), 893 (2003). 7. PT-15 technical data sheet, Lonza Inc ., Fair Lawn, NJ. 8. M. L. Ramirez, et al, Poly. Degrad. & Stab...technical data sheet, Carbon Nanotechnologies, Houston, TX. 32. Advanced SiC NanoPowder technical data sheet, Alpha Materials, Inc ., St. Paul, MN. 33

Parameter Calibration of GTN Damage Model and Formability Analysis of 22MnB5 in Hot Forming Process

NASA Astrophysics Data System (ADS)

Ying, Liang; Liu, Wenquan; Wang, Dantong; Hu, Ping

2017-11-01

Hot forming of high strength steel at elevated temperatures is an attractive technology to achieve the lightweight of vehicle body. The mechanical behavior of boron steel 22MnB5 strongly depends on the variation of temperature which makes the process design more difficult. In this paper, the Gurson-Tvergaard-Needleman (GTN) model is used to study the formability of 22MnB5 sheet at different temperatures. Firstly, the rheological behavior of 22MnB5 is analyzed through a series of hot tensile tests at a temperature range of 600-800 °C. Then, a detailed process to calibrate the damage parameters is given based on the response surface methodology and genetic algorithm method. The GTN model together with the damage parameters calibrated is then implemented to simulate the deformation and damage evolution of 22MnB5 in the process of high-temperature Nakazima test. The capability of the GTN model as a suitable tool to evaluate the sheet formability is confirmed by comparing experimental and calculated results. Finally, as a practical application, the forming limit diagram of 22MnB5 at 700 °C is constructed using the Nakazima simulation and Marciniak-Kuczynski (M-K) model, respectively. And the simulation integrated GTN model shows a higher reliability by comparing the predicted results of these two approaches with the experimental ones.

Analysis of hot forming of a sheet metal component made of advanced high strength steel

NASA Astrophysics Data System (ADS)

Demirkaya, Sinem; Darendeliler, Haluk; Gökler, Mustafa İlhan; Ayhaner, Murat

2013-05-01

To provide reduction in weight while maintaining crashworthiness and to decrease the fuel consumption of vehicles, thinner components made of Advanced High Strength Steels (AHSS) are being increasingly used in automotive industry. However, AHSS cannot be formed easily at the room temperature (i.e. cold forming). The alternative process involves heating, hot forming and subsequent quenching. A-pillar upper reinforcement of a vehicle is currently being produced by cold forming of DP600 steel sheet with a thickness of 1.8 mm. In this study, the possible decrease in the thickness of this particular part by using 22MnB5 as appropriate AHSS material and applying this alternative process has been studied. The proposed process involves deep drawing, trimming, heating, sizing, cooling and piercing operations. Both the current production process and the proposed process are analyzed by the finite element method. The die geometry, blank holding forces and the design of the cooling channels for the cooling process are determined numerically. It is shown that the particular part made of 22MnB5 steel sheet with a thickness of 1.2 mm can be successfully produced by applying the proposed process sequence and can be used without sacrificing the crashworthiness. With the use of the 22MnB5 steel with a thickness of 1.2 mm instead of DP600 sheet metal with a thickness of 1.8 mm, the weight is reduced by approximately 33%.

Preparation and properties of a monomeric Mn(IV)-oxo complex.

PubMed

Parsell, Trenton H; Behan, Rachel K; Green, Michael T; Hendrich, Michael P; Borovik, A S

2006-07-12

Manganese-oxo complexes have long been investigated because of their proposed roles in biological and chemical catalysis. However, there are few examples of monomeric complexes with terminal oxo ligands, especially those with oxomanganese(IV) units. A oxomanganese(IV) complex has been prepared from [MnIIIH3buea(O)]2- ([H3buea]3-, tris[(N'-tert-butylureaylato)-N-ethylene]aminato), a monomeric MnIII-O complex in which the oxo ligand arises from cleavage of dioxygen. Treating [MnIIIH3buea(O)]2- with [Cp2Fe]BF4 in either DMF at -45 degrees C or DMSO at room temperature produces [MnIVH3buea(O)]-: lambdamax = 635 nm; nu(Mn-16O) = 737 cm-1; nu(Mn-18O) = 709 cm-1; g = 5.15, 2.44, 1.63, D = 3.0 cm-1, E/D = 0.26, aMn = 66 G (A = 190 MHz). These spectroscopic properties support the assignment of a mononuclear MnIV-oxo complex with an S = 3/2 ground state. Density functional theory supports this assignment and the Jahn-Teller distortion around the high-spin MnIV center that would alter the molecular structure of [MnIVH3buea(O)]- from trigonal symmetry (as indicated by the highly rhombic EPR signal). [MnIVH3buea(O)]- is relatively unstable in DMSO, converting to [MnIIIH3buea(OH)]- via a proposed X-H bond cleavage. [MnIVH3buea(O)]- reacts with 1,2-diphenylhydrazine to from azobenzene (95% yield) and [MnIIIH3buea(OH)]-. The MnIV-oxo does not react with triphenyl- or tricyclohexylphosphine. However, O-atom transfer is observed with methyldiphenylphosphine and dimethylphenylphosphine, producing the corresponding phosphine oxides. These results illustrate the diverse reactivity of the MnIV-oxo unit.

Synthesis and magnetic structure of the layered manganese oxide selenide Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2}

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

Blandy, Jack N.; Diamond Light Source Ltd., Harwell Science and Innovation Campus, Didcot OX11 0DE; Boskovic, Jelena C.

The synthesis of a high-purity sample of the layered oxide selenide Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} is reported. At ambient temperature it crystallises in the space group I4/mmm with two formula units in the unit cell and lattice parameters a=4.08771(1) Å, c=19.13087(8) Å. The compound displays mixed-valent manganese in a formal oxidation state close to +2.5 and powder neutron diffraction measurements reveal that below the Néel temperature of 63(1) K this results in an antiferromagnetic structure which may be described as A-type, modelled in the magnetic space group P{sub I}4/mnc (128.410 in the Belov, Neronova and Smirnova (BNS) scheme) inmore » which localised Mn moments of 3.99(2) μ{sub B} are arranged in ferromagnetic layers which are coupled antiferromagnetically. In contrast to the isostructural compound Sr{sub 2}MnO{sub 2}Cu{sub 1.5}S{sub 2}, Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} does not display long range ordering of coinage metal ions and vacancies, nor may significant amounts of the coinage metal readily be deintercalated using soft chemical methods. - Graphical abstract: Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} containing mixed valent Mn ions undergoes magnetic ordering with ferromagnetic coupling within MnO{sub 2} sheets and antiferromagnetic coupling between MnO{sub 2} sheets. - Highlights: • High purity sample of Sr{sub 2}MnO{sub 2}Ag{sub 1.5}Se{sub 2} obtained. • Magnetic structure determined. • Compared with related mixed-valent manganite oxide chalcogenides.« less

Antiferromagnetic monolayer MnC2 with density functional theory prediction

NASA Astrophysics Data System (ADS)

Zhang, Bingwen; Zhang, Qinfang; Bai, Yujie

2018-05-01

A new monolayer MnC2 was predicted as a stable 2D material associated with the result of phonon and AIMD calculations. The in-plane young’s modulus is 73.6 N m‑1, which is about 20% of graphene. The monolayer MnC2 is antiferromagnetic with a Néel temperature around 280 K and from the Dirac point of the electronic band we got the fermi velocity of 5.37 × 1.05 m s‑1 showing excellent electronic transport property. The MnC2 sheet also possesses a promising application as an anode material in lithium ion battery.

Enhanced Cycleability of Amorphous MnO₂ by Covering on α-MnO₂ Needles in an Electrochemical Capacitor.

PubMed

Liu, Quanbing; Ji, Shan; Yang, Juan; Wang, Hui; Pollet, Bruno G; Wang, Rongfang

2017-08-24

An allomorph MnO₂@MnO₂ core-shell nanostructure was developed via a two-step aqueous reaction method. The data analysis of Scanning Electron Microscopy, Transmission Electron Microscopy, X-Ray Diffraction and N₂ adsorption-desorption isotherms experiments indicated that this unique architecture consisted of a porous layer of amorphous-MnO₂ nano-sheets which were well grown onto the surface of α-MnO₂ nano-needles. Cyclic voltammetry experiments revealed that the double-layer charging and Faradaic pseudo -capacity of the MnO₂@MnO₂ capacitor electrode contributed to a specific capacitance of 150.3 F·g -1 at a current density of 0.1 A·g -1 . Long cycle life experiments on the as-prepared MnO₂@MnO₂ sample showed nearly a 99.3% retention after 5000 cycles at a current density of 2 A·g -1 . This retention value was found to be significantly higher than those reported for amorphous MnO₂-based capacitor electrodes. It was also found that the remarkable cycleability of the MnO₂@MnO₂ was due to the supporting role of α-MnO₂ nano-needle core and the outer amorphous MnO₂ layer.

A Raman and UV-Vis study of catecholamines oxidized with Mn(III)

NASA Astrophysics Data System (ADS)

Barreto, W. J.; Ponzoni, S.; Sassi, P.

1998-12-01

A UV-Vis and Raman spectroscopy study of three aminochromes generated through Mn 3+ oxidation of the dopamine, L-dopa and adrenaline molecules at physiological pH was performed. The UV-Vis spectra of the catecholamines oxidized using Mn 3+ in buffer solution at pH 7.2 show a band at ca. 300 nm, formed by two transitions at 280 nm and 300 nm assigned to an La and Lb transition respectively, and other at ca. 470 nm assigned to an n- π* transition localized in the carbonyl group. This assignment is suggested by the UV-Vis and Raman spectra of ortho-aminoquinone generated by MnO 2 oxidation of a dopamine aqueous acidic solution. The resonance Raman spectra of the three chromes at buffer pH 7.2 show a very similar feature and the most intense bands are observed in the spectral range 1100-1800 cm -1. The band around 1680 cm -1 for the three compounds is assigned to a ν(CO) stretching vibration, 1630 cm -1 to the ν(CC) ring mode, two bands at 1423, 1439 cm -1; 1427, 1438 cm -1 and 1456, 1475 cm -1 are assigned to a ν(CN +) vibration, for aminochrome, dopachrome and adrenochrome, respectively. The excitation profiles for the most intense bands for aminochrome and adrenochrome were obtained. The band assigned to the ν(CN +) present a red shift with respect to the visible band peak, however the band in adrenochrome at 1475 cm -1 shows a profile similar to ν(CO) and ν(CC) modes that reflects the methyl group effect on mixing this mode more effectively with the ν(CC) ring mode.

The visible spectrum of manganese hydride: Rotational analyses of the 480- and 450-nm systems

NASA Astrophysics Data System (ADS)

Balfour, W. J.; Lindgren, B.; Launila, O.; O'Connor, S.; Cusack, E. J.

1992-07-01

Two visible systems in MnH near 480 and 450 nm, and the 480-nm system in MnD have been recorded photographically both in absorption and in emission. The 480-nm system is shown to be the spectrum of the d5Π i- a5Σ + transition, while the 450-nm system reprsents the e5Σ +- a5Σ + transition, where the upper state is heavily perturbed. The numbers of identified branches in the (0,0), (1,1), and (2,2) bands of the 480-nm system of MnH are 35, 20, and 10, respectively. In the MnD 480-nm system, only the (0,0) band was assigned; the number of assigned branches here was 23. In the 450-nm system of MnH, all the 10 main branches were identified in the (0,0) system, while only the five P branches were found in the (1,1) system. Molecular parameters have been derived for all three states involved. Observed perturbations in the 450-nm system of MnH and in the 480-nm system of MnD have been discussed.

Evolution of the structure and mechanical properties of sheets of the Al-4.7Mg-0.32Mn-0.21Sc-0.09Zr alloy due to deformation accumulated upon rolling

NASA Astrophysics Data System (ADS)

Zolotorevskiy, V. S.; Dobrojinskaja, R. I.; Cheverikin, V. V.; Khamnagdaeva, E. A.; Pozdniakov, A. V.; Levchenko, V. S.; Besogonova, E. S.

2016-11-01

The mechanical properties and microstructure of sheets of an Al-4.7Mg-0.32Mn-0.21Sc-0.09Zr alloy deformed and annealed after rolling have been investigated. The total accumulated true strain was ɛf = 3.33-5.63, and the true strain at room temperature and at 200 °C was ɛc = 0.25-2.3. The strength properties of the sheets (yield stress σ0.2 = 495 MPa and ultimate tensile strength σu = 525 MPa) in the deformed state were greater than those after equal-channel angular pressing (ECAP) deformation. The mechanical properties of the deformed sheets after annealing depended on the size of subgrains inside the deformed grains bands with high-angle grain boundaries (HABs). With the increase in the annealing temperature from 150 to 300°C, the subgrain size increased from 80 to 300 nm. The relative elongation δ in the as-cast state and after annealing at 200-250°C (δ = 40-50%) was higher than that after annealing at 300-370°C (δ = 24-29%).

Characterization of PEEK, PET and PI implanted with Mn ions and sub-sequently annealed

NASA Astrophysics Data System (ADS)

Mackova, A.; Malinsky, P.; Miksova, R.; Pupikova, H.; Khaibullin, R. I.; Slepicka, P.; Gombitová, A.; Kovacik, L.; Svorcik, V.; Matousek, J.

2014-04-01

Polyimide (PI), polyetheretherketone (PEEK) and polyethylene terephthalate (PET) foils were implanted with 80 keV Mn+ ions at room temperature at fluencies of 1.0 × 1015-1.0 × 1016 cm-2. Mn depth profiles determined by RBS were compared to SRIM 2012 and TRIDYN simulations. The processes taking place in implanted polymers under the annealing procedure were followed. The measured projected ranges RP differ slightly from the SRIM and TRIDYN simulation and the depth profiles are significantly broader (up to 2.4 times) than those simulated by SRIM, while TRIDYN simulations were in a reasonable agreement up to the fluence 0.5 × 1016 in PEEK. Oxygen and hydrogen escape from the implanted layer was examined using RBS and ERDA techniques. PET, PEEK and PI polymers exhibit oxygen depletion up to about 40% of its content in virgin polymers. The compositional changes induced by implantation to particular ion fluence are similar for all polymers examined. After annealing no significant changes of Mn depth distribution was observed even the further oxygen and hydrogen desorption from modified layers appeared. The surface morphology of implanted polymers was characterized using AFM. The most significant change in the surface roughness was observed on PEEK. Implanted Mn atoms tend to dissipate in the polymer matrix, but the Mn nanoparticles are too small to be observed on TEM micrographs. The electrical, optical and structural properties of the implanted and sub-sequently annealed polymers were investigated by sheet resistance measurement and UV-Vis spectroscopy. With increasing ion fluence, the sheet resistance decreases and UV-Vis absorbance increases simultaneously with the decline of optical band gap Eg. The most pronounced change in the resistance was found on PEEK. XPS spectroscopy shows that Mn appears as a mixture of Mn oxides. Mn metal component is not present. All results were discussed in comparison with implantation experiment using the various ion species (Ni, Co) and energies used in our former experiments. Interesting differences were found in Mn concentration distribution, Mn nano-particle creation and structural changes comparing to Ni, Co ions implantation into the same polymers.

Sign Reversal of the MN-O Bond Compressibility in La{sub 1.2}Sr{sub 1.8}Mn{sub 2}O{sub 7} Below T{sub C}: Exchange Striction in the Ferromagnetic State

DOE R&D Accomplishments Database

Argyriou, D. N.; Mitchell, J. F.; Chmaissem, O.; Short, S.; Jorgensen, J. D.; Goodenough, J. B.

1997-03-01

The crystal structure of the layered perovskite La{sub 1.2}Sr{sub 1.8}Mn{sub 2}O{sub 7} has been studied under hydrostatic pressure up to {approximately} 6 kbar, in the paramagnetic and ferromagnetic states, with neutron powder diffraction. The compressibility of the Mn-O apical bonds in the double layer of MnO{sub 6} octahedra changes sign from the paramagnetic insulator (PI) to the ferromagnetic metal (FM) state; in the Fm state the Mn-O-Mn linkage between MnO{sub 2} planes expands under applied pressure, whereas they contract in the PI state. This counterintuative behavior is interpreted in terms of exchange striction, which reflect the competition between super- and double-exchange. An increase of the Mn-moment with applied pressure in the FM state is consistent with a positive dT{sub C}/dP, as well as a cant angle {theta}{sub 0} between the magnetizations of neighboring MnO{sub 2} sheets that decreases with pressure.

Basic Facialist. Teacher Edition. Cosmetology Series.

ERIC Educational Resources Information Center

Rogers, Jeanette A.

This Oklahoma curriculum guide contains six units. Each instructional unit includes some or all of these basic components: performance objectives; suggested activities for the teacher; pretest; handouts; information sheets; transparency masters; assignment sheets; job sheets; practical tests; written tests; and answers to pretest, assignment…

Synthesis and crystal structure of a novel Mn(II) coordination polymer with 3-(4-(1H-benzo[d]imidazol-1-yl)-4-methoxyphenyl)-1-phenylprop-2-en-1-one ligands

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

Wang, G.-F., E-mail: wgf1979@126.com; Zhang, X., E-mail: zhangx@hit.edu.cn; Sun, S.-W., E-mail: s-shuwen@163.com

3-(4-(1H-Benzo[d]imidazol-1-yl)-4-methoxyphenyl)-1-phenylprop-2-en-1-one (L{sup 1}, 1) and its Mn(II) complex, [Mn(L{sup 1}){sub 2}(SCN){sub 2}]{sub ∞} (2), were synthesized and characterized by elemental analyses, IR spectroscopy and single-crystal X-ray diffraction. The Mn(II) ion in 2 is six-coordinated to four nitrogen atoms of two L{sup 1} ligands, two SCN-ligands, and two oxygen atoms of other two L{sup 1} ligands to form a distorted octahedral geometry. Therefore, each L{sup 1} links Mn ions through the O and N atoms to generate 2D sheet structure.

Enhanced Cycleability of Amorphous MnO2 by Covering on α-MnO2 Needles in an Electrochemical Capacitor

PubMed Central

Liu, Quanbing; Yang, Juan; Wang, Hui; Pollet, Bruno G.; Wang, Rongfang

2017-01-01

An allomorph MnO2@MnO2 core-shell nanostructure was developed via a two-step aqueous reaction method. The data analysis of Scanning Electron Microscopy, Transmission Electron Microscopy, X-Ray Diffraction and N2 adsorption-desorption isotherms experiments indicated that this unique architecture consisted of a porous layer of amorphous-MnO2 nano-sheets which were well grown onto the surface of α-MnO2 nano-needles. Cyclic voltammetry experiments revealed that the double-layer charging and Faradaic pseudo-capacity of the MnO2@MnO2 capacitor electrode contributed to a specific capacitance of 150.3 F·g−1 at a current density of 0.1 A·g−1. Long cycle life experiments on the as-prepared MnO2@MnO2 sample showed nearly a 99.3% retention after 5000 cycles at a current density of 2 A·g−1. This retention value was found to be significantly higher than those reported for amorphous MnO2-based capacitor electrodes. It was also found that the remarkable cycleability of the MnO2@MnO2 was due to the supporting role of α-MnO2 nano-needle core and the outer amorphous MnO2 layer. PMID:28837099

Low-cost flexible supercapacitors based on laser reduced graphene oxide supported on polyethylene terephthalate substrate

NASA Astrophysics Data System (ADS)

Ghoniem, Engy; Mori, Shinsuke; Abdel-Moniem, Ahmed

2016-08-01

A controlled high powered CO2 laser system is used to reduce and pattern graphene oxide (GO) film supported onto a flexible polyethylene terephthalate (PET) substrate. The laser reduced graphene oxide (rGO) film is characterized and evaluated electrochemically in the absence and presence of an overlying anodicaly deposited thin film of pseuodcapactive MnO2 as electrodes for supercapacitor applications using aqueous electrolyte. The laser treatment of the GO film leads to an overlapped structure of defective multi-layer rGO sheets with an electrical conductivity of 273 S m-1. The rGO and MnO2/rGO electrodes exhibit specific capacitance in the range of 82-107 and 172-368 Fg-1 at applied current range of 0.1-1.0 mA cm-2 and retain 98 and 95% of their initial capacitances after 2000 cycles at a current density of 1.0 mA cm-2, respectively. Also, the rGO is assigned as an electrode material for flexible conventionally stacked and interdigitated in-plane supercapacitor structures using gel electrolyte. Three electrode architectures of 2, 4, and 6 sub-electrodes are studied for the interdigital in-plane design. The device with interdigital 6 sub-electrodes architecture I-PS(6) delivers power density of 537.1 Wcm-3 and an energy density of 0.45 mWh cm-3.

Comprehensive Small Engine Repair.

ERIC Educational Resources Information Center

Hires, Bill; And Others

This curriculum guide contains the basic information needed to repair all two- and four-stroke cycle engines. The curriculum covers four areas, each consisting of one or more units of instruction that include performance objectives, suggested activities for teacher and students, information sheets, assignment sheets, job sheets, visual aids,…

An intramolecular antiferromagnetically coupled pentanuclear Mn(II) cluster containing acetate and tetracarboxylate linkers: Synthesis, structure and magnetism

NASA Astrophysics Data System (ADS)

Wu, Jian; Liu, Wei-Cong; Wu, Xi-Ren; Liu, Jian-Qiang; Sakiyama, Hiroshi; Yadav, Reena; Kumar, Abhinav

2016-06-01

A new Mn(II) complex {[Mn5(CH3COO)2(L)2(DMF)8](DMF)}n (1), (H4L = 3,5-bis(3‧,5‧-dicarboxylphenyl)-1H-1,2,3-triazole), has been synthesized and structurally characterized. The complex 1 have pentanuclear Mn(II) core, where the two sides of metal centers (Mn2 and Mn3) have trigonal bipyramidal arrangement and the middle metal center (Mn1) have octahedral environment utilizing two O atoms from adjacent bridging bidentate carboxylate groups and four O atoms from four coordinated DMF molecules. The planar arrangement of pentanuclear Mn(II) atoms are linked by L linkage to generate two dimensional sheet. The magnetic property of the compound indicates χMT value for the five Mn(II) unit to be 21.3 cm3 K mol-1 at 300 K, which is close to the spin-only value (21.9 cm3 K mol-1) for the pentamer having S = 5/2. Also, the Hirshfeld surface analyses have been performed which indicated the absence of weak Mn···Mn interaction thereby corroborating the results of observed magnetic properties.

A new protocol for the distribution of MnO2 nanoparticles on rGO sheets and the resulting electrochemical performance

NASA Astrophysics Data System (ADS)

Samdani, Jitendra; Samdani, Kunda; Kim, Nam Hoon; Lee, Joong Hee

2017-03-01

Herein, reduced graphene oxide (rGO)/MnO2 hybrid materials were prepared via a direct redox reaction between MnCl2 and KMnO4 on reduced graphene oxide (rGO). A systematic study was carried out to understand the role of KMnO4. The morphology and microstructure of the as-prepared composite was characterized using field-emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and Raman Spectroscopy. Results indicate that the concentrations of KMnO4 have a detrimental effect on the distribution of MnO2 nanoparticles on rGO sheets and hence on electrochemical properties. The electrochemical capacitive behavior of the as-prepared composite was investigated using cyclic voltammetry (CV), galvanostatic charge discharge, and electrochemical impedance spectroscopy (EIS) in 1 M Na2SO4 aqueous electrolyte solution. At the optimum concentration of KMnO4, the as-prepared rGM-1 composite shows a high specific capacitance of 366 F/g at a scan rate of 10 mV/s. The composite also exhibits good electrocatalytic activity towards the oxidation of dopamine (DA), exhibiting a low detection limit of 2.3 × 10-7 M with a wide linear range between 2.5 × 10-7 M and 2.30 × 10-4 M. Hence, the use of rGO/MnO2 at an optimized concentration of KMnO4 is a potential competitive candidate in supercapacitor and biosensor applications.

Dissimilar Arc Welding of Advanced High-Strength Car-Body Steel Sheets

NASA Astrophysics Data System (ADS)

Russo Spena, P.; D'Aiuto, F.; Matteis, P.; Scavino, G.

2014-11-01

A widespread usage of new advanced TWIP steel grades for the fabrication of car-body parts is conditional on the employment of appropriate welding methods, especially if dissimilar welding must be performed with other automotive steel grades. Therefore, the microstructural features and the mechanical response of dissimilar butt weld seams of TWIP and 22MnB5 steel sheets after metal-active-gas arc welding are examined. The microstructural and mechanical characterization of the welded joints was carried out by optical metallography, microhardness and tensile testing, and fractographic examination. The heat-affected zone on the TWIP side was fully austenitic and the only detectable effect was grain coarsening, while on the 22MnB5 side it exhibited newly formed martensite and tempered martensite. The welded tensile specimens exhibited a much larger deformation on the TWIP steel side than on the 22MnB5. The fracture generally occurred at the interface between the fusion zone and the heat-affected zones, with the fractures surfaces being predominantly ductile. The ultimate tensile strength of the butt joints was about 25% lower than that of the TWIP steel.

Periodic table of 3d-metal dimers and their ions.

PubMed

Gutsev, G L; Mochena, M D; Jena, P; Bauschlicher, C W; Partridge, H

2004-10-08

The ground states of the mixed 3d-metal dimers TiV, TiCr, TiMn, TiFe, TiCo, TiNi, TiCu, TiZn, VCr, VMn, VFe, VCo, VNi, VCu, VZn, CrMn, CrFe, CrCo, CrNi, CrCu, CrZn, MnFe, MnCo, MnNi, MnCu, MnZn, FeCo, FeNi, FeCu, FeZn, CoNi, CoCu, CoZn, NiCu, NiZn, and CuZn along with their singly negatively and positively charged ions are assigned based on the results of computations using density functional theory with generalized gradient approximation for the exchange-correlation functional. Except for TiCo and CrMn, our assignment agrees with experiment. Computed spectroscopic constants (r(e),omega(e),D(o)) are in fair agreement with experiment. The ground-state spin multiplicities of all the ions are found to differ from the spin multiplicities of the corresponding neutral parents by +/-1. Except for TiV, MnFe, and MnCu, the number of unpaired electrons, N, in a neutral ground-state dimer is either N(1)+N(2) or mid R:N(1)-N(2)mid R:, where N(1) and N(2) are the numbers of unpaired 3d electrons in the 3d(n)4s(1) occupation of the constituent atoms. Combining the present and previous results obtained at the same level of theory for homonuclear 3d-metal and ScX (X=Ti-Zn) dimers allows one to construct "periodic" tables of all 3d-metal dimers along with their singly charged ions.

14 CFR Sec. 1-4 - System of accounts coding.

Code of Federal Regulations, 2010 CFR

2010-01-01

... General Accounting Provisions Sec. 1-4 System of accounts coding. (a) A four digit control number is assigned for each balance sheet and profit and loss account. Each balance sheet account is numbered sequentially, within blocks, designating basic balance sheet classifications. The first two digits of the four...

Effect of Mn on the Formation of Oxide Buildups Upon HVOF-Sprayed MCrAlY-Ceramic-Type Cermet Coatings

NASA Astrophysics Data System (ADS)

Huang, Tsai-Shang

2011-03-01

Thermal spray coatings have been widely used on hearth rolls in a continuous annealing line to improve steel sheet quality and to prolong the roll service life. One of the common defects formed on a working hearth roll is the oxide buildup. HVOF-sprayed CoCrAlY-CrB2-Y2O3 coating was used in this study to duplicate buildups by reacting with Fe and Mn oxides. The reaction was performed in a furnace at 900 °C with inert gases flowing through. After reacting for 8 days, large Mn-rich buildups were formed on the coating while the buildups without Mn were very small. Mn was shown to enhance the formation of buildups. Buildups from a hearth roll were also examined and compared with the laboratory ones.

Buckling Structured Stretchable Pseudocapacitor Yarn.

PubMed

Lee, Duck Weon; Lee, Jung Han; Min, Nam Ki; Jin, Joon-Hyung

2017-09-20

Cable-type stretchable electrochemical pseudocapacitors based on multi-walled carbon nanotube (MWCNT) sheets and two different metal oxide nanopowders (NP), i.e., MnO 2 and RuO 2 are developed using a newly-devised dry painting method to mechanically fix the NP to the elastic rubber-based MWCNT electrode substrate, resulting in a porous buckling structured pseudocapacitor yarn. Highly stretchable stylene-ethylene/butylene-stylene (SEBS) is used as the supporting elastomeric core for wrapping with the MWCNT sheets and the electroactive NP. The dry painting can successfully deposit NP on the soft SEBS surface, which is normally an unfavorable substrate for coating alien materials. The resulting yarn-type pseudocapacitor, composed of eight-layered MWCNT sheets, three-layered RuO 2 , and two-layered MnO 2 , showing a diameter of approximately 400 μm with a porous buckling structure, records a specific capacitance of 25 F g -1 . After being stretched by 200% in strain with no sacrifice of the porous buckling structure, the cable-type stretchable electrochemical pseudocapacitor yarn retains its electrical capacity, and is potentially applicable to energy storage devices for wearable electronics.

sup 1 H assignments and secondary structure determination of the soybean trypsin/chymotrypsin Bowman-Birk inhibitor

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

Werner, M.H.; Wemmer, D.E.

1991-04-09

The {sup 1}H resonance assignments and secondary structure of the trypsin/chymotrypsin Bowman-Birk inhibitor from soybeans were determined by nuclear magnetic resonance spectroscopy (NMR) at 600 MHz in an 18% acetonitrile-d{sub 3}/aqueous cosolvent. Resonances from 69 to 71 amino acids were assigned sequence specifically. Residues Q11-T15 form an antiparallel {beta}-sheet with residues Q21-S25 in the tryptic inhibitory domain and an analogous region of antiparallel sheet forms between residues S38-A42 and Q48-V52 in the chymotryptic inhibitory domain. The inhibitory sites of each fragment (K16-S17 for trypsin, L43-S44 for chymotrypsin) are each part of a type VI like turn at one end ofmore » their respective region of the antiparallel {beta}-sheet. These structural elements are compared to those found in other Bowman-Birk inhibitors.« less

Highly atom-economic synthesis of graphene/Mn3O4 hybrid composites for electrochemical supercapacitors

NASA Astrophysics Data System (ADS)

Jiangying, Qu; Feng, Gao; Quan, Zhou; Zhiyu, Wang; Han, Hu; Beibei, Li; Wubo, Wan; Xuzhen, Wang; Jieshan, Qiu

2013-03-01

A highly atom-economic procedure for the preparation of reduced graphene oxide/Mn3O4 (rGO/Mn3O4) composites is reported. Pristine graphene oxide/manganese sulfate (GO/MnSO4) suspension produced by modified Hummers method is utilized with high efficiency, which has been in situ converted into GO/Mn3O4 hybrid composite by air oxidation, then into rGO/Mn3O4 composite by means of dielectric barrier discharge (DBD) plasma-assisted deoxygenation. The Mn3O4 content of the rGO/Mn3O4 composites can be readily tailored. It is observed that Mn3O4 nanoparticles of 15-24 nm are well-dispersed on graphene sheets with Mn3O4 loading as high as 90%. The specific capacitance of the as-prepared rGO/Mn3O4 hybrids with 90% Mn3O4 reaches 193 F g-1 when employed as the electrode material in neutral Na2SO4 electrolyte solutions (76 F g-1 for pristine graphene and 95 F g-1 for pure Mn3O4), which indicates the positive synergetic effects from both graphene and attached Mn3O4. The method developed in this study should offer a new technique for the large scale and highly atom-economic production of graphene/MnOx composites for many applications.

Utilizing boron nitride sheets as thin supports for high resolution imaging of nanocrystals.

PubMed

Wu, Yimin A; Kirkland, Angus I; Schäffel, Franziska; Porfyrakis, Kyriakos; Young, Neil P; Briggs, G Andrew D; Warner, Jamie H

2011-05-13

We demonstrate the use of thin BN sheets as supports for imaging nanocrystals using low voltage (80 kV) aberration-corrected high resolution transmission electron microscopy. This provides an alternative to the previously utilized 2D crystal supports of graphene and graphene oxide. A simple chemical exfoliation method is applied to get few layer boron nitride (BN) sheets with micrometer-sized dimensions. This generic approach of using BN sheets as supports is shown by depositing Mn doped ZnSe nanocrystals directly onto the BN sheets and resolving the atomic structure from both the ZnSe nanocrystals and the BN support. Phase contrast images reveal moiré patterns of interference between the beams diffracted by the nanocrystals and the BN substrate that are used to determine the relative orientation of the nanocrystals with respect to the BN sheets and interference lattice planes. Double diffraction is observed and has been analyzed.

Introduction to Production/Manufacturing Drafting. Drafting Module 8. Instructor's Guide.

ERIC Educational Resources Information Center

Missouri Univ., Columbia. Instructional Materials Lab.

This module, 1 of 10 in the Drafting curriculum guide developed in Missouri, contains 3 units of study that include some or all of the following components: performance objectives, lesson plans, information sheets, transparency masters, handouts, assignment sheets, job sheets, a unit test, and answers to the unit test. Special instructions on…

Molecular structure, natural bond analysis, vibrational and electronic spectra, surface enhanced Raman scattering and Mulliken atomic charges of the normal modes of [Mn(DDTC)2] complex.

PubMed

Téllez S, Claudio A; Costa, Anilton C; Mondragón, M A; Ferreira, Glaucio B; Versiane, O; Rangel, J L; Lima, G Müller; Martin, A A

2016-12-05

Theoretical and experimental bands have been assigned for the Fourier Transform Infrared and Raman spectra of the bis(diethyldithiocarbamate)Mn(II) complex, [Mn(DDTC)2]. The calculations have been based on the DFT/B3LYP method, second derivative spectra and band deconvolution analysis. The UV-vis experimental spectra were measured in acetonitrile solution, and the calculated electronic spectrum was obtained using the TD/B3LYP method with 6-311G(d, p) basis set for all atoms. Charge transfer bands and those d-d spin forbidden were assigned in the UV-vis spectrum. The natural bond orbital analysis was carried out using the DFT/B3LYP method and the Mn(II) hybridization leading to the planar geometry of the framework was discussed. Surface enhanced Raman scattering (SERS) was also performed. Mulliken charges of the normal modes were obtained and related to the SERS enhanced bands. Copyright © 2016 Elsevier B.V. All rights reserved.

Free-standing ultrathin CoMn2O4 nanosheets anchored on reduced graphene oxide for high-performance supercapacitors.

PubMed

Gao, Guoxin; Lu, Shiyao; Xiang, Yang; Dong, Bitao; Yan, Wei; Ding, Shujiang

2015-11-21

Ultrathin CoMn2O4 nanosheets supported on reduced graphene oxide (rGO) are successfully synthesized through a simple co-precipitation method with a post-annealing treatment. With the assistance of citrate, the free-standing CoMn2O4 ultrathin nanosheets can form porous overlays on both sides of the rGO sheets. Such a novel hybrid nanostructure can effectively promote charge transport and accommodate volume variation upon prolonged charge/discharge cycling. When evaluated as a promising electrode for supercapacitors in a 6 M KOH solution electrolyte, the hybrid nanocomposites demonstrate highly enhanced capacitance and excellent cycling stability.

7. FIRST FLOOR, INTERIOR, DETAIL OF FISH SMOKING OVEN LOCATED ...

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

7. FIRST FLOOR, INTERIOR, DETAIL OF FISH SMOKING OVEN LOCATED IN NORTH END OF BUILDING, ALONG WEST WALL; LOOKING WEST - Gerber Sheet Metal Works Building, 128 Porthand Avenue, South, Minneapolis, Hennepin County, MN

Only the chemical state of Indium changes in Mn-doped In3Sb1Te2 (Mn: 10 at.%) during multi-level resistance changes

NASA Astrophysics Data System (ADS)

Lee, Y. M.; Ahn, D.; Kim, J.-Y.; Kim, Y. S.; Cho, S.; Ahn, M.; Cho, M.-H.; Jung, M. S.; Choi, D. K.; Jung, M.-C.; Qi, Y. B.

2014-04-01

We fabricated and characterized the material with Mn (10 at.%: atomic percent) doped In3Sb1Te2 (MIST) using co-sputtering and synchrotron radiation, respectively. The MIST thin film showed phase-changes at 97 and 320°C, with sheet resistances of ~10 kΩsq (amorphous), ~0.2 kΩsq (first phase-change), and ~10 Ωsq (second phase-change). MIST did not exhibit any chemical separation or increased structural instability during either phase-change, as determined with high-resolution x-ray photoelectron spectroscopy. Chemical state changes were only depended for In without concomitant changes of Sb and Te. Apparently, doped Mn atoms can be induced with movement of only In atoms.

Using Separate Answer Sheets with Grade 3 Students

ERIC Educational Resources Information Center

Brooks, Thomas; O'Malley, Kimberly; Ragland, Shelley; Young, Michael; Kirkpatrick, Rob

2014-01-01

The authors compared the performance of third-grade students testing on answer sheets with those testing on machine-scored test booklets. The 1,832 students in the nationally representative sample were assigned at the campus level to complete the Stanford Achievement Test Series, Tenth Edition in 1 of 4 conditions: (a) Form A answer sheet, (b)…

Retailing. Instructor's Guide Sheets and Instructor's Package, Modules R 1-45. Competency-Based Education.

ERIC Educational Resources Information Center

Kentucky State Dept. of Education, Frankfort.

This package contains instructor's guide sheets and student task assignment sheets for Modules R 1-45 of the competency-based curriculum in retailing developed for use in secondary and postsecondary schools in Kentucky. Some of the topics covered in the modules include the following: retailing--past, present, and future; retailing occupations;…

76 FR 47550 - Certain Tissue Paper Products From the People's Republic of China: Notice of Rescission of the...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-05

... products produced from Chinese-origin jumbo rolls/ sheets.\\3\\ We determined in the Preliminary Results, as... paper products produced using Chinese-origin jumbo rolls/sheets. Further, based on AFA, we preliminarily... produced by MFVN from Chinese-origin jumbo rolls/sheets is China. Consequently, we assigned MFVN a cash...

Red-emitting manganese-doped aluminum nitride phosphor

NASA Astrophysics Data System (ADS)

Cherepy, Nerine J.; Payne, Stephen A.; Harvey, Nicholas M.; Åberg, Daniel; Seeley, Zachary M.; Holliday, Kiel S.; Tran, Ich C.; Zhou, Fei; Martinez, H. Paul; Demeyer, Jessica M.; Drobshoff, Alexander D.; Srivastava, Alok M.; Camardello, Samuel J.; Comanzo, Holly A.; Schlagel, Deborah L.; Lograsso, Thomas A.

2016-04-01

We report high efficiency luminescence with a manganese-doped aluminum nitride red-emitting phosphor under 254 nm excitation, as well as its excellent lumen maintenance in fluorescent lamp conditions, making it a candidate replacement for the widely deployed europium-doped yttria red phosphor. Solid-state reaction of aluminum nitride powders with manganese metal at 1900 °C, 10 atm N2 in a reducing environment results in nitrogen deficiency, as revealed diffuse reflectance spectra. When these powders are subsequently annealed in flowing nitrogen at 1650 °C, higher nitrogen content is recovered, resulting in white powders. Silicon was added to samples as an oxygen getter to improve emission efficiency. NEXAFS spectra and DFT calculations indicate that the Mn dopant is divalent. From DFT calculations, the UV absorption band is proposed to be due to an aluminum vacancy coupled with oxygen impurity dopants, and Mn2+ is assumed to be closely associated with this site. In contrast with some previous reports, we find that the highest quantum efficiency with 254 nm excitation (Q.E. = 0.86 ± 0.14) is obtained in aluminum nitride with a low manganese doping level of 0.06 mol.%. The principal Mn2+ decay of 1.25 ms is assigned to non-interacting Mn sites, while additional components in the microsecond range appear with higher Mn doping, consistent with Mn clustering and resultant exchange coupling. Slower components are present in samples with low Mn doping, as well as strong afterglow, assigned to trapping on shallow traps followed by detrapping and subsequent trapping on Mn.

Red-emitting manganese-doped aluminum nitride phosphor

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

Cherepy, Nerine J.; Payne, Stephen A.; Harvey, Nicholas M.

2016-02-10

Here, we report high efficiency luminescence with a manganese-doped aluminum nitride red-emitting phosphor under 254 nm excitation, as well as its excellent lumen maintenance in fluorescent lamp conditions, making it a candidate replacement for the widely deployed europium-doped yttria red phosphor. Solid-state reaction of aluminum nitride powders with manganese metal at 1900 °C, 10 atm N2 in a reducing environment results in nitrogen deficiency, as revealed diffuse reflectance spectra. When these powders are subsequently annealed in flowing nitrogen at 1650 °C, higher nitrogen content is recovered, resulting in white powders. Silicon was added to samples as an oxygen getter tomore » improve emission efficiency. NEXAFS spectra and DFT calculations indicate that the Mn dopant is divalent. From DFT calculations, the UV absorption band is proposed to be due to an aluminum vacancy coupled with oxygen impurity dopants, and Mn2+ is assumed to be closely associated with this site. In contrast with some previous reports, we find that the highest quantum efficiency with 254 nm excitation (Q.E. = 0.86 ± 0.14) is obtained in aluminum nitride with a low manganese doping level of 0.06 mol.%. The principal Mn2+ decay of 1.25 ms is assigned to non-interacting Mn sites, while additional components in the microsecond range appear with higher Mn doping, consistent with Mn clustering and resultant exchange coupling. Slower components are present in samples with low Mn doping, as well as strong afterglow, assigned to trapping on shallow traps followed by detrapping and subsequent trapping on Mn.« less

Process design of press hardening with gradient material property influence

NASA Astrophysics Data System (ADS)

Neugebauer, R.; Schieck, F.; Rautenstrauch, A.

2011-05-01

Press hardening is currently used in the production of automotive structures that require very high strength and controlled deformation during crash tests. Press hardening can achieve significant reductions of sheet thickness at constant strength and is therefore a promising technology for the production of lightweight and energy-efficient automobiles. The manganese-boron steel 22MnB5 have been implemented in sheet press hardening owing to their excellent hot formability, high hardenability, and good temperability even at low cooling rates. However, press-hardened components have shown poor ductility and cracking at relatively small strains. A possible solution to this problem is a selective increase of steel sheet ductility by press hardening process design in areas where the component is required to deform plastically during crash tests. To this end, process designers require information about microstructure and mechanical properties as a function of the wide spectrum of cooling rates and sequences and austenitizing treatment conditions that can be encountered in production environments. In the present work, a Continuous Cooling Transformation (CCT) diagram with corresponding material properties of sheet steel 22MnB5 was determined for a wide spectrum of cooling rates. Heating and cooling programs were conducted in a quenching dilatometer. Motivated by the importance of residual elasticity in crash test performance, this property was measured using a micro-bending test and the results were integrated into the CCT diagrams to complement the hardness testing results. This information is essential for the process design of press hardening of sheet components with gradient material properties.

Process design of press hardening with gradient material property influence

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

Neugebauer, R.; Professorship for Machine Tools and Forming Technology, TU Chemnitz; Schieck, F.

Press hardening is currently used in the production of automotive structures that require very high strength and controlled deformation during crash tests. Press hardening can achieve significant reductions of sheet thickness at constant strength and is therefore a promising technology for the production of lightweight and energy-efficient automobiles. The manganese-boron steel 22MnB5 have been implemented in sheet press hardening owing to their excellent hot formability, high hardenability, and good temperability even at low cooling rates. However, press-hardened components have shown poor ductility and cracking at relatively small strains. A possible solution to this problem is a selective increase of steelmore » sheet ductility by press hardening process design in areas where the component is required to deform plastically during crash tests. To this end, process designers require information about microstructure and mechanical properties as a function of the wide spectrum of cooling rates and sequences and austenitizing treatment conditions that can be encountered in production environments. In the present work, a Continuous Cooling Transformation (CCT) diagram with corresponding material properties of sheet steel 22MnB5 was determined for a wide spectrum of cooling rates. Heating and cooling programs were conducted in a quenching dilatometer. Motivated by the importance of residual elasticity in crash test performance, this property was measured using a micro-bending test and the results were integrated into the CCT diagrams to complement the hardness testing results. This information is essential for the process design of press hardening of sheet components with gradient material properties.« less

Structure and luminescence properties of 10-BN sheets

NASA Astrophysics Data System (ADS)

Han, Wei-Qiang; Liu, Lijia; Sham, T. K.; Liu, Zhenxian

2012-10-01

Isotopic 10BN sheets were first prepared using graphene sheets as templates to react with 10B2O3. The edge-areas of BN sheets have much higher oxygen-doping ratios compared to other areas. The emission peak of X-ray excited optical luminescence spectra of the 10BN-sheets is broader and red-shifted because of the isotopic effect. A broad violet-blue emission at a wavelength centered at ~400 nm is assigned to the defect emission due to oxygen-doping and defects in the BN network.

MnO2-Based Electrochemical Supercapacitors on Flexible Carbon Substrates

NASA Astrophysics Data System (ADS)

Tadjer, Marko J.; Mastro, Michael A.; Rojo, José M.; Mojena, Alberto Boscá; Calle, Fernando; Kub, Francis J.; Eddy, Charles R.

2014-04-01

Manganese dioxide films were grown on large area flexible carbon aerogel substrates. Characterization by x-ray diffraction confirmed α-MnO2 growth. Three types of films were compared as a function of hexamethylenetetramine (HMTA) concentration during growth. The highest concentration of HM TA produced MnO2 flower-like films, as observed by scanning electron microscopy, whose thickness and surface coverage lead to both a higher specific capacitance and higher series resistance. Specific capacitance was measured to be 64 F/g using a galvanostatic setup, compared to the 47 F/g-specific capacitance of the carbon aerogel substrate. Such supercapacitor devices can be fabricated on large area sheets of carbon aerogel to achieve high total capacitance.

Welding.

ERIC Educational Resources Information Center

Cowan, Earl; And Others

The curriculum guide for welding instruction contains 16 units presented in six sections. Each unit is divided into the following areas, each of which is color coded: terminal objectives, specific objectives, suggested activities, and instructional materials; information sheet; transparency masters; assignment sheet; test; and test answers. The…

Facile fabrication of 3D porous MnO@GS/CNT architecture as advanced anode materials for high-performance lithium-ion battery.

PubMed

Wang, Junyong; Deng, Qinglin; Li, Mengjiao; Wu, Cong; Jiang, Kai; Hu, Zhigao; Chu, Junhao

2018-08-03

To overcome inferior rate capability and cycle stability of MnO-based anode materials for lithium-ion batteries (LIBs), we reported a novel 3D porous MnO@GS/CNT composite, consisting of MnO nanoparticles homogeneously distributed on the conductive interconnected framework based on 2D graphene sheets (GS) and 1D carbon nanotubes (CNTs). The distinctive architecture offers highly interpenetrated network along with efficient porous channels for fast electron transfer and ionic diffusion as well as abundant stress buffer space to accommodate the volume expansion of the MnO nanoparticles. The MnO@GS/CNT anode exhibits an ultrahigh capacity of 1115 mAh g -1 at 0.2 A g -1 after 150 cycles and outstanding rate capacity of 306 mAh g -1 at 10.0 A g -1 . Moreover, a stable capacity of 405 mAh g -1 after 3200 cycles can still be achieved, even at a large current density of 5.0 A g -1 . When coupled with LiMn 2 O 4 (LMO) cathode, the LMO [Formula: see text] MnO@GS/CNT full cell characterizes an excellent cycling stability and rate capability, indicating the promising application of MnO@GS/CNT anode in the next-generation LIBs.

Superparamagnetic and ferrimagnetic behavior of nanocrystalline ZnO(MnO)

NASA Astrophysics Data System (ADS)

Kuryliszyn-Kudelska, I.; Dobrowolski, W.; Arciszewska, M.; Romčević, N.; Romčević, M.; Hadžić, B.; Sibera, D.; Narkiewicz, U.

2018-04-01

We have studied the magnetic properties of nanocrystals of ZnO:MnO prepared by traditional wet chemistry method. The detailed structural and morphological characterization was performed. The results of systematic measurements of AC magnetic susceptibility as a function of temperature and frequency as well as DC magnetization are reported. We observed two different types of magnetic behavior depending on the concentration doping. For samples with low nominal content (up to 30 wt% of MnO), superparamagnetic behavior was observed. We attribute the observed superparamagnetism to the presence of nanosized ZnMnO3 phase. For nanocrystals doped above nominal 60 wt% of MnO ferrimagnetism was detected with TC at around 42 K. This magnetic behavior we assign to the presence of nanosized Mn3O4 phase.

Multireversible redox processes in pentanuclear bis(triple-helical) manganese complexes featuring an oxo-centered triangular {Mn(II)2Mn(III)(μ3-O)}5+ or {Mn(II)Mn(III)2(μ3-O)}6+ core wrapped by two {Mn(II)2(bpp)3}-.

PubMed

Romain, Sophie; Rich, Jordi; Sens, Cristina; Stoll, Thibaut; Benet-Buchholz, Jordi; Llobet, Antoni; Rodriguez, Montserrat; Romero, Isabel; Clérac, Rodolphe; Mathonière, Corine; Duboc, Carole; Deronzier, Alain; Collomb, Marie-Noëlle

2011-09-05

A new pentanuclear bis(triple-helical) manganese complex has been isolated and characterized by X-ray diffraction in two oxidation states: [{Mn(II)(μ-bpp)(3)}(2)Mn(II)(2)Mn(III)(μ-O)](3+) (1(3+)) and [{Mn(II)(μ-bpp)(3)}(2)Mn(II)Mn(III)(2)(μ-O)](4+) (1(4+)). The structure consists of a central {Mn(3)(μ(3)-O)} core of Mn(II)(2)Mn(III) (1(3+)) or Mn(II)Mn(III)(2) ions (1(4+)) which is connected to two apical Mn(II) ions through six bpp(-) ligands. Both cations have a triple-stranded helicate configuration, and a pair of enantiomers is present in each crystal. The redox properties of 1(3+) have been investigated in CH(3)CN. A series of five distinct and reversible one-electron waves is observed in the -1.0 and +1.50 V potential range, assigned to the Mn(II)(4)Mn(III)/Mn(II)(5), Mn(II)(3)Mn(III)(2)/Mn(II)(4)Mn(III), Mn(II)(2)Mn(III)(3)/Mn(II)(3)Mn(III)(2), Mn(II)Mn(III)(4)/Mn(II)(2)Mn(III)(3), and Mn(III)(5)/Mn(II)Mn(III)(4) redox couples. The two first oxidation processes leading to Mn(II)(3)Mn(III)(2) (1(4+)) and Mn(II)(2)Mn(III)(3) (1(5+)) are related to the oxidation of the Mn(II) ions of the central core and the two higher oxidation waves, close in potential, are thus assigned to the oxidation of the two apical Mn(II) ions. The 1(4+) and 1(5+) oxidized species and the reduced Mn(4)(II) (1(2+)) species are quantitatively generated by bulk electrolyses demonstrating the high stability of the pentanuclear structure in four oxidation states (1(2+) to 1(5+)). The spectroscopic characteristics (X-band electron paramagnetic resonance, EPR, and UV-visible) of these species are also described as well as the magnetic properties of 1(3+) and 1(4+) in solid state. The powder X- and Q-band EPR signature of 1(3+) corresponds to an S = 5/2 spin state characterized by a small zero-field splitting parameter (|D| = 0.071 cm(-1)) attributed to the two apical Mn(II) ions. At 40 K, the magnetic behavior is consistent for 1(3+) with two apical S = 5/2 {Mn(II)(bpp)(3)}(-) and one S = 2 noninteracting spins (11.75 cm(3) K mol(-1)), and for 1(4+) with three S = 5/2 noninteracting spins (13.125 cm(3) K mol(-1)) suggesting that the {Mn(II)(2)Mn(III)(μ(3)-O)}(5+) and {Mn(II)Mn(III)(2)(μ(3)-O)}(6+) cores behave at low temperature like S = 2 and S = 5/2 spin centers, respectively. The thermal behavior below 40 K highlights the presence of intracomplex magnetic interactions between the two apical spins and the central core, which is antiferromagnetic for 1(3+) leading to an S(T) = 3 and ferromagnetic for 1(4+) giving thus an S(T) = 15/2 ground state.

Graphitic biochar as a cathode electrocatalyst support for microbial fuel cells.

PubMed

Huggins, Tyler M; Pietron, Jeremy J; Wang, Heming; Ren, Zhiyong Jason; Biffinger, Justin C

2015-11-01

Graphitic biochar (BC) was generated using high temperature gasification and alkaline post-treatment (BCw) of wood-based biomass. The BCw was evaluated as a manganese oxide electrocatalytic support (MnO/BCw) and microbial fuel cell (MFC) air cathode. Nano-structured MnO2 crystals were successfully immobilized on biomass-based graphitic sheets and characterized using physical, chemical, and electrochemical analyses. Cyclic voltammetry of MnO/BCw/Nafion inks showed electrochemical features typical of β-MnO2 with a current density of 0.9 mA cm(-2). BC showed satisfactory maximum power densities of 146.7 mW m(-2) (BCw) and 187.8 W m(-2) (MnO/BCw), compared with Vulcan Carbon (VC) (156.8 mW m(-2)) and manganese oxide VC composites (MnO/VC) (606.1 mW m(-2)). These materials were also tested as oxygen reduction reaction (ORR) catalysts for single chamber MFCs inoculated with anaerobic sludge. Our results demonstrate that BC can serve as an effective, low cost, and scalable material for MFC application. Published by Elsevier Ltd.

DNA@Mn3(PO4)2 Nanoparticles Supported with Graphene Oxide as Photoelectrodes for Photoeletrocatalysis

NASA Astrophysics Data System (ADS)

Gao, Lixia; Xie, Jiale; Ma, Xiaoqing; Li, Man; Yu, Ling

2017-01-01

A novel deoxyribose nucleic acid (DNA)-based photoelectrode consisting of DNA@Mn3(PO4)2 nanoparticles on graphene oxide (GO) sheets was successfully fabricated for photoelectrocatalysis. DNA served as a soft template to guide the nucleation and growth of Mn3(PO4)2 nanoparticles in the synthesis of Mn3(PO4)2 nanoparticles. More importantly, the DNA also serves as semiconductor materials to adjust charge transport. Under UV light irradiation (180-420 nm, 15 mW/cm2), the photocurrent density of DNA@ Mn3(PO4)2/GO electrodes reached 9 μA/cm2 at 0.7 V bias (vs. SCE). An applied bias photon-to-current efficiency (ABPE) of 0.18% can be achieved, which was much higher than that of other control electrodes (<0.04%). In this DNA-based photoelectrode, well-matched energy levels can efficiently improve charge transfer and reduce the recombination of photogenerated electron-hole pairs.

Magnetic ordering and spin-glass behavior in first-row transition metal hexacyanomanganate(IV) Prussian blue analogues.

PubMed

Buschmann, W E; Miller, J S

2000-05-29

Magnetically ordered Prussian blue analogues with the general formulation of M[Mn(CN)6] (M = V, Cr, Mn, Co, Ni) were made in aprotic media utilizing [MnIV(CN)6]2-. These analogs are valence-ambiguous, as they can be formulated as MII[MnIV(CN)6] or MIII[MnIII(CN)6]. The X-ray powder diffraction of each member of this family can be indexed to the face-centered cubic (fcc) Prussian blue structure type, with atypically reduced unit cell parameters (a approximately 9.25 +/- 0.25 A) with respect to hydrated Prussian blue structured materials (a > or = 10.1 A). The reduced a-values are attributed to a contraction of the lattice in the absence of water or coordinating solvent molecule (i.e., MeCN) that is necessary to help stabilize the structure during lattice formation. Based on vCN IR absorptions, X-ray photoelectron spectra, and magnetic data, the following oxidation state assignments are made: MII[MnIV(CN)6] (M = Co, Ni) and MIII[MnIII(CN)6] (M = V, Cr, Mn). Formation of MnIII[MnIII(CN)6] is in contrast to MnII[MnIV(CN)6] prepared from aqueous media. Above 250 K, the magnetic susceptibilities of M[Mn(CN)6] (M = V, Cr, Mn, Co, Ni) can be fit to the Curie-Weiss equation with theta = -370, -140, -105, -55, and -120 K, respectively, suggesting strong antiferromagnetic coupling. The room temperature effective moments, respectively, are 3.71, 4.62, 5.66, 4.54, and 4.91 microB, consistent with the above oxidation state assignments. All compounds do not exhibit magnetic saturation at 50 kOe, and exhibit frequency-dependent chi'(T) and chi"(T) responses characteristic of spin-glass-like behavior. M[Mn(CN)6] order as ferrimagnets, with Tc's taken from the peak in the 10 Hz chi'(T) data, of 19, 16, 27.1, < 1.75, and 4.8 K for M = V, Cr, Mn, Co, and Ni, respectively. The structural and magnetic disorder prevents NiII[MnIV(CN)6] from ordering as a ferromagnet as anticipated, and structural inhomogeneities allow CoII[MnIV(CN)6] and VIII[MnIII(CN)6] to unexpectedly order as ferrimagnets. Also, MnIII[MnIII(CN)6] behaves as a reentrant spin glass showing two transitions at 20 and 27.1 K, and similar behavior is evident for CrIII[MnIII(CN)6]. Hysteresis with coercive fields of 340, 130, 8, 9, and 220 Oe and remanent magnetizations of 40, 80, 1500, 4, and 250 emuOe/mol are observed for M = V, Cr, Mn, Co, and Ni, respectively.

Free standing CuO-MnO2 nanocomposite for room temperature ammonia sensing

NASA Astrophysics Data System (ADS)

Bhuvaneshwari, S.; Papachan, Seethal; Gopalakrishnan, N.

2017-05-01

CuO nanostructures and CuO-MnO2 nanocomposite were successfully synthesized using hydrothermal method without any aid of growth controlling agents. The synthesized CuO nanostructures have monoclinic structure. The XRD pattern of CuO-MnO2 observed with mixed phases of monoclinic CuO and birnessite-type MnO2 which confirms the formation of nanocomposite. SEM images revealed the turmeric-like morphology for CuO and intercalated sheets with flowers on the surface for CuO-MnO2. The length and breadth of turmeric-like structure is about 642.2 nm and 141.8 nm, respectively. The band gap of 1.72 eV for CuO nanostructure and 1.9 eV for CuO-MnO2 nanocomposite were observed from the absorption spectra. The free standing devices of CuO-MnO2 showed nearly a 3 fold increase sensing response to ammonia at room temperature when compared to the constituent CuO. The composite sensor showed response time of 120 s and recovered within 600 s. This enhanced response can be asserted to the peculiar morphology of the composite that provides more adsorption site for gas diffusion to take place.

Three-dimensional sandwich-structured NiMn2O4@reduced graphene oxide nanocomposites for highly reversible Li-ion battery anodes

NASA Astrophysics Data System (ADS)

Huang, Jiarui; Wang, Wei; Lin, Xirong; Gu, Cuiping; Liu, Jinyun

2018-02-01

A sandwich-structured NiMn2O4@reduced graphene oxide (NiMn2O4@rGO) nanocomposite consisting of ultrathin NiMn2O4 sheets uniformly anchored on both sides of a three-dimensional (3D) porous rGO is presented. The NiMn2O4@rGO nanocomposites prepared through a dipping process combining with a hydrothermal method show a good electrochemical performance including a high reversible capability of 1384 mAh g-1 at 1000 mA g-1 over 1620 cycles, and an superior rate performance. Thus, a full cell consisting of a commercial LiCoO2 cathode and the NiMn2O4@rGO anode delivers a stable capacity of about 1046 mAh g-1 (anode basis) after cycling at 50 mA g-1 for 60 times. It is demonstrated that the 3D porous composite structure accommodates the volume change during the Li+ insertion/extraction process and facilitates the rapid transport of ions and electrons. The high performance would enable the presented NiMn2O4@rGO nanocomposite a promising anode candidate for practical applications in Li-ion batteries.

Practical Business: Instructor/Student Guide.

ERIC Educational Resources Information Center

Napier, Deedee Stocker

Ten units on practical business are presented in this instructor and student guide. Each instructional unit contains objectives, suggested activities, information sheets, assignment sheets, transparency master, a test, and test answers. Unit topics are (1) before you buy (comparative shopping and wise purchasing techniques); (2) when things go…

Synthesis of lithium mangan dioxide (LiMn2O4) for lithium-ion battery cathode from various lithium sources

NASA Astrophysics Data System (ADS)

Priyono, S.; Ginting, N. R.; Humaidi, S.; Subhan, A.; Prihandoko, B.

2018-03-01

LiMn2O4 as a cathode material has been synthesized via solid state reaction. The synthesis has been done by varying lithium sources such as LiOH.H2O and Li2CO3 while MnO2 was used as Mn sources. All raw materials were mixed stoichiometrically to be the precursors of LiMn2O4. The precursors were sintered using high temperature furnace at 800 °C for 4 hours in atmospheric condition to form final product. The final products were sieved to separate the finer and smoother particles from the coarse ones. The products were characterized by X-Ray Diffractometer (XRD) to identify phases and crystal structure. The peak wave number was also determined using Fourier Transform Infra Red (FTIR) to find functional group. LiMn2O4 sheets were prepared by mixing active material with polyvinylidene fluoride (PVdF) and acetylene black (AB) in mass ratio of 85:10:5 wt.% in N,N-Dimethylacetamide (DMAc) solvents to form slurry. The slurry was then coated onto Al foil with thickness of about 0.15 mm and dried in an oven. LiMn2O4 sheet was cut into circular discs and arranged with separator, metallic lithium, and electrolyte in a coin cell. Automatic battery cycler was used to measure electrochemical performance and specific capacity of the cell. XRD analysis showed that sample synthesized with Li2CO3 has higher crystallinity and more pristine than sample synthesized with LiOH.H2O. FTIR analysis revealed that both of samples have identical functional group but sample with Li2CO3 source tend to degrade. Cyclic voltammetry data gave information that sample with LiOH.H2O source has better electrochemical performance. It showed double oxidation/reduction peaks more clearly but sample with Li2CO3 source has higher specific capacity (64.78 mAh/g) than sample with LiOH.H2O (50 mAh/g).

Synthesis of Li2MnSiO4-graphene composite and its electrochemical performances as a cathode material for lithium ion batteries.

PubMed

Kim, Jeonghyun; Song, Taeseup; Park, Hyunjung; Yuh, Junhan; Paik, Ungyu

2014-10-01

The Li2MnSiO4 is a promising candidate as a cathode for lithium ion batteries due to its large theoretical capacity of 330 mA h g(-1) and high thermal stability. However, the problems related to low electronic conductivity and large irreversible capacity at the first cycle limits its practical use as a Li-ion cathode material. We have developed a carbon coated Li2MnSiO4-graphene composite electrode to overcome these problems. Our designed electrode exhibits high reversible capacity of 301 mA h g(-1), with a high initial coulombic efficiency, and a discharge capacity at current rate of 0.5 C, that is double value of carbon coated Li2MnSiO4-carbon black composite electrode. These significant improvements are attributed to fast electron transport along the graphene sheet.

Electrodeposition synthesis and electrochemical properties of nanostructured γ-MnO 2 films

NASA Astrophysics Data System (ADS)

Chou, Shulei; Cheng, Fangyi; Chen, Jun

The thin films of carambola-like γ-MnO 2 nanoflakes with about 20 nm in thickness and at least 200 nm in width were prepared on nickel sheets by combination of potentiostatic and cyclic voltammetric electrodeposition techniques. The as-prepared MnO 2 nanomaterials, which were characterized by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and X-ray photoelectron spectroscopy (XPS), were used as the active material of the positive electrode for primary alkaline Zn/MnO 2 batteries and electrochemical supercapacitors. Electrochemical measurements showed that the MnO 2 nanoflake films displayed high potential plateau (around 1.0 V versus Zn) in primary Zn/MnO 2 batteries at the discharge current density of 500 mA g -1 and high specific capacitance of 240 F g -1 at the current density of 1 mA cm -2. This indicated the potential application of carambola-like γ-MnO 2 nanoflakes in high-power batteries and electrochemical supercapacitors. The growth process for the one- and three-dimensional nanostructured MnO 2 was discussed on the basis of potentiostatic and cyclic voltammetric techniques. The present synthesis method can be extended to the preparation of other nanostructured metal-oxide films.

Rational design of hierarchically porous birnessite-type manganese dioxides nanosheets on different one-dimensional titania-based nanowires for high performance supercapacitors

NASA Astrophysics Data System (ADS)

Zhang, Yu Xin; Kuang, Min; Hao, Xiao Dong; Liu, Yan; Huang, Ming; Guo, Xiao Long; Yan, Jing; Han, Gen Quan; Li, Jing

2014-12-01

A facile and large-scale strategy of mesoporous birnessite-type manganese dioxide (MnO2) nanosheets on one-dimension (1D) H2Ti3O7 and anatase/TiO2 (B) nanowires (NWs) is developed for high performance supercapacitors. The morphological characteristics of MnO2 nanoflakes on H2Ti3O7 and anatase/TiO2 (B) NWs could be rationally designed with various characteristics (e.g., the sheet thickness, surface area). Interestingly, the MnO2/TiO2 NWs exhibit a more optimized electrochemical performance with specific capacitance of 120 F g-1 at current density of 0.1 A g-1 (based on MnO2 + TiO2) than MnO2/H2Ti3O7 NWs. An asymmetric supercapacitor of MnO2/TiO2//activated graphene (AG) yields a better energy density of 29.8 Wh kg-1 than MnO2/H2Ti3O7//AG asymmetric supercapacitor, while maintaining desirable cycling stability. Indeed, the pseudocapacitive difference is related to the substrates, unique structure and surface area. Especially, the anatase/TiO2 (B) mixed-phase system can provide good electronic conductivity and high utilization of MnO2 nanosheets.

Half-life of 51Mn

NASA Astrophysics Data System (ADS)

Graves, Stephen A.; Ellison, Paul A.; Valdovinos, Hector F.; Barnhart, Todd E.; Nickles, Robert J.; Engle, Jonathan W.

2017-07-01

The half-life of 51Mn was measured by serial gamma spectrometry of the 511-keV annihilation photon following decay by β+ emission. Data were collected every 100 seconds for 100,000-230,000 seconds within each measurement (n =4 ). The 511-keV incidence rate was calculated from the 511-keV spectral peak area and count duration, corrected for detector dead time and radioactive decay. Least-squares regression analysis was used to determine the half-life of 51Mn while accounting for the presence of background contaminants, notably 55Co. The result was 45.59 ±0.07 min, which is the highest precision measurement to date and disagrees with the current Nuclear Data Sheets value by over 6 σ .

Ultra-thin grain-oriented silicon steel sheet fabricated by a novel way: Twin-roll strip casting and two-stage cold rolling

NASA Astrophysics Data System (ADS)

Wang, Yin-Ping; Liu, Hai-Tao; Song, Hong-Yu; Liu, Jia-Xin; Shen, Hui-Ying; Jin, Yang; Wang, Guo-Dong

2018-04-01

0.05-0.15 mm-thick ultra-thin grain-oriented silicon steel sheets were successfully produced by a novel processing route including strip casting, hot rolling, normalizing, two-stage cold rolling with intermediate annealing, primary recrystallization annealing and secondary recrystallization annealing. The evolutions of microstructure, texture and inhibitor along the processing were briefly investigated. The results showed that the initial Goss orientation originated due to the heterogenous nucleation of δ-ferrite grains during solidification. Because of the lack of shear deformation, only a few Goss grains were observed in the hot rolled sheet. After the first cold rolling and intermediate annealing, Goss texture was enhanced and distributed in the whole thickness. A small number of Goss grains having a high fraction of high energy boundaries exhibited in the primary recrystallization annealed sheet. A large number of fine and dispersed MnS and AlN and a few co-precipitates MnS and AlN with the size range of 10-70 nm were also observed. Interestingly, a well-developed secondary recrystallization microstructure characterized by 10-60 mm grains and a sharp Goss texture were finally produced in the 0.05-0.15 mm-thick ultra-thin sheets. A magnetic induction B8 of 1.72-1.84 T was obtained. Another new finding was that a few {2 3 0}〈0 0 1〉 and {2 1 0}〈1 2 7〉 grains also can grow up abnormally because of the high fraction of high energy boundaries and the size and number advantage, respectively. These non-Goss grains finally deteriorated the magnetic properties of the ultra-thin sheets. In addition, low surface energies of {hk0} planes may also contribute to the abnormal growth of Goss, {2 3 0}〈0 0 1〉 and {2 1 0}〈1 2 7〉 grains.

On the Importance of Adiabatic Heating on Deformation Behavior of Medium-Manganese Sheet Steels

NASA Astrophysics Data System (ADS)

Rana, Radhakanta; De Moor, Emmanuel; Speer, John G.; Matlock, David K.

2018-02-01

The effects of adiabatic heating during deformation of a medium-manganese transformation-induced plasticity steel containing 10.1Mn-1.68Al-0.14C-0.2Si (wt.%) processed with initially 57 vol.% retained austenite were investigated over the temperature range from - 60°C to 100°C at strain rates from 0.002 s-1 to 0.2 s-1. Tensile tests were performed on specimens immersed in isothermal baths, which reduced but did not completely eliminate adiabatic heating. The specimen temperature depended on the extent of adiabatic heating, which increased with strain and strain rate. The measured properties primarily reflected the effects of temperature on austenite stability and the corresponding resistance of austenite transformation to martensite with strain. Changes in austenite stability were monitored by measurements of austenite fractions at a specific strain and observation of microstructures after deformation. The results of this study provide a basis to identify input material parameters required for numerical models applicable to sheet metal forming of medium-Mn steels.

Recovery and Recrystallization of Cold Rolled Al-3.3 Mg-1.22 Mn Alloy Sheet; Precipitation Hardening as a Function of Aging Temperature; Effect of Rate of Quenching on Age-hardening

NASA Astrophysics Data System (ADS)

Khalique, Abdul; Khan, Mohammad Riaz

1997-07-01

The present scientific and technological advancement in space travel has given an added impetus to the development and production of light metal high strength alloys, capable of enduring rapid changes in temperature and other environmental conditions. Al-3.3 Mg-1.22 Mn (weight %) cold rolled alloy sheet of 2 mm thickness was selected for the study. This alloy falls in the category of non-heat treatable, corrosive resistant alloys. The change in mechanical behaviour when age-softened in N2 gas atomsphere was studied. In addition, mechanical properties of samples when artificially aged in the temperature range of 150°C-250°C for 3 hours each, after solution treatment at 450°C for 12 h followed by quenching to room temperature were investigated. It is revealed that improvement, though limited, in tensile strength, surface hardness and ductility during aging is a function of cooling rate during quenching.

Electric-field controlled capture or release of phosgene molecule on graphene-based materials: First principles calculations

NASA Astrophysics Data System (ADS)

Zhang, Tong; Sun, Hao; Wang, Fengdi; Zhang, Wanqiao; Ma, Junmei; Tang, Shuwei; Gong, Hongwei; Zhang, Jingping

2018-01-01

Phosgene, one of the common chemicals in many industry areas, is extremely harmful to human and the environment. Thus, it is necessary to design the advanced materials to detect or remove phosgene effectively. In fact, detection or adsorption of some small gas molecules are not the most difficult to actualize. Whereas, one of the primary challenges is the gas molecules desorption from the adsorbent for the purpose of recycling of substrate materials since the small gas molecules interacts strongly with the substrates. In this work, the interaction between the phosgene molecule and pristine or Mn-doped graphene sheets with different electric field and charge state are investigated by using first-principles simulations. Our results show that the adsorption energy of phosgene on Mn-doped graphene is dramatically weakened by applying an external negative electric field but is obviously enhanced by introducing a positive electric field. These processes can be easily controlled by transform the direction of the electric field. Thus, introducing an external electric field or charge in the system may be an excellent method to control the phosgene molecule adsorption and desorption on Mn-doped graphene sheet. All energy needed is just a small quantity of electricity, which satisfies well the requirement of green chemistry and sustainable development. The mechanism and reason of reversible adsorption/desorption is also revealed in terms of energy, charge distribution and orbital analysis. Such spontaneous adsorption or desorption makes Mn-doped graphene to be used as an excellent reusable scavenger of phosgene.

Fourier transform spectroscopy of MnH and MnD

NASA Astrophysics Data System (ADS)

Balfour, W. J.; Launila, O.; Klynning, L.

Two infrared band systems, centred near 846 nm and 1060 nm in both MnH and MnD have been rotationally analysed and shown to have a common lower state. The electronic transitions lie within the quintet manifold and are here designated c 5Σ-a 5Σ and b 5Πi-a 5Σ for the 846 and 1060 nm systems, respectively. In the 846 nm system in MnH all 10 main branches have been found in the 0-0 and 1-1 bands, while in MnD the data are complete only for 0-0. Satellite branches have been identified in the 1060 nm system and all spin and Λ-type doublings have been established. The number of assigned 0-0 branches in the 1060 nm system is 35 for MnH and 37 for MnD. Molecular constants have been determined for all three states involved. Λ-doubling diagrams are presented for b 5Πi state with v = 1, 2 levels in MnH and with the v = 2 level in MnD. Local perturbations in c5Σ (v = 1) in MnH are suspected to originate from the v = 3 level of b 5Πi.

Nuclear Data Sheets for A = 61

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

Zuber, Kazimierz; Singh, Balraj

2015-03-15

The evaluated spectroscopic data are presented for known nuclides of mass 61 (Sc,Ti,V,Cr,Mn,Fe,Co,Ni, Cu,Zn,Ga,Ge). Excited-state data are nonexistent for {sup 61}Sc, {sup 61}Ti, {sup 61}V, and {sup 61}Ge. Significant amounts of new data have been added since the previous NDS evaluation of A=61 nuclides (1999Bh04). {sup 61}Sc nuclide is now experimentally known, but without any knowledge of its half-life. The ground state half-lives of {sup 61}Ti and {sup 61}V are now determined. Excited-state data have become available for {sup 61}Cr, {sup 61}Mn and {sup 61}Ga, while for {sup 61}Ge, five excited states were erroneously assigned in the previous evaluation, thesemore » have been omitted here. Improved and extensive high-spin excitations are available for {sup 61}Fe, {sup 61}Cu and {sup 61}Zn, including several new superdeformed structures in {sup 61}Cu and {sup 61}Zn. Thermal neutron capture γ-ray data are available in detail from 2004Ra23. The radioactive decay schemes of {sup 61}Sc and {sup 61}Ti are not known, while those for {sup 61}V, {sup 61}Fe and {sup 61}Ge are poorly known. This work benefited from the earlier full evaluations of A=61 published by 1999Bh04, 1983Ek01 and 1975Au05 and the one published in an ‘update’ mode by 1992Zh31. The data and conclusions presented in the current work supersede those in all the previous evaluations.« less

Graphene-Composite Carbon Nanofiber-Based Electrodes for Energy Storage Devices

DTIC Science & Technology

2014-04-18

electrochemical supercapacitors . 1. Development of highly conductive graphene composite CNF webs Graphene, a single-atom-thick sheet of sp 2 bonded...electrochemical supercapacitors and evaluated their performance. The capacitance increased with an increase in the amount of MnO2 NWs (duration of the deposition

The polarization of Sb overlayers on NiMnSb(100)

NASA Astrophysics Data System (ADS)

Komesu, Takashi; Borca, C. N.; Jeong, Hae-Kyung; Dowben, P. A.; Ristoiu, Delia; Nozières, J. P.; Stadler, Shane; Idzerda, Y. U.

2000-08-01

We have investigated the induced polarization of paramagnetic Sb overlayers on the Heusler alloy NiMnSb. From combined X-ray absorption spectroscopy (XAS) and spin-polarized inverse photoemission spectroscopy (SPIPES), we can assign some of the unoccupied states of the Heusler alloy NiMnSb. With increasing thickness of the Sb overlayer, there is a decline in the density of states near the Fermi energy, as expected for a semimetal overlayer on a metallic substrate. While the Sb is polarized by the ferromagnetic NiMnSb substrate, consistent with the expectations of mean field theory, the polarization at the center of the surface/overlayer Brillouin zone cannot be easily related to the induced magnetization.

Design of Amorphous Manganese Oxide@Multiwalled Carbon Nanotube Fiber for Robust Solid-State Supercapacitor.

PubMed

Shi, Peipei; Li, Li; Hua, Li; Qian, Qianqian; Wang, Pengfei; Zhou, Jinyuan; Sun, Gengzhi; Huang, Wei

2017-01-24

Solid-state fiber-based supercapacitors have been considered promising energy storage devices for wearable electronics due to their lightweight and amenability to be woven into textiles. Efforts have been made to fabricate a high performance fiber electrode by depositing pseudocapacitive materials on the outer surface of carbonaceous fiber, for example, crystalline manganese oxide/multiwalled carbon nanotubes (MnO 2 /MWCNTs). However, a key challenge remaining is to achieve high specific capacitance and energy density without compromising the high rate capability and cycling stability. In addition, amorphous MnO 2 is actually preferred due to its disordered structure and has been proven to exhibit superior electrochemical performance over the crystalline one. Herein, by incorporating amorphous MnO 2 onto a well-aligned MWCNT sheet followed by twisting, we design an amorphous MnO 2 @MWCNT fiber, in which amorphous MnO 2 nanoparticles are distributed in MWCNT fiber uniformly. The proposed structure gives the amorphous MnO 2 @MWCNT fiber good mechanical reliability, high electrical conductivity, and fast ion-diffusion. Solid-state supercapacitor based on amorphous MnO 2 @MWCNT fibers exhibits improved energy density, superior rate capability, exceptional cycling stability, and excellent flexibility. This study provides a strategy to design a high performance fiber electrode with microstructure control for wearable energy storage devices.

Processes of zinc attenuation by biogenic manganese oxides forming in the hyporheic zone of Pinal Creek, Arizona

USGS Publications Warehouse

Fuller, Christopher C.; Bargar, John R.

2014-01-01

The distribution and speciation of Zn sorbed to biogenic Mn oxides forming in the hyporheic zone of Pinal Creek, AZ, was investigated using extended X-ray absorption fine structure (EXAFS) and microfocused synchrotron X-ray fluorescence (μSXRF) mapping, and chemical extraction. μSXRF and chemical extractions show that contaminant Zn co-varied with Mn in streambed sediment grain coatings. Bulk and microfocused EXAFS spectra of Zn in the biogenic Mn oxide coating are indicative of Zn forming triple-corner-sharing inner-sphere complexes over octahedral vacancies in the Mn oxide sheet structure. Zn desorbed in response to the decrease in pH in batch experiments and resulted in near-equal dissolved Zn at each pH over a 10-fold range in the solid/solution ratio. The geometry of sorbed Zn was unchanged after 50% desorption at pH 5, indicating that desorption is not controlled by dissolution of secondary Zn phases. In summary, these findings support the idea that Zn attenuation in Pinal Creek is largely controlled by sorption to microbial Mn oxides forming in the streambed during hyporheic exchange. Sorption to biogenic Mn oxides is likely an important process of Zn attenuation in circum-neutral pH reaches of many acid-mine drainage contaminated streams when dissolved Mn is present.

Influences of annealing temperature on structural characterization and magnetic properties of Mn-doped BaTiO3 ceramics

NASA Astrophysics Data System (ADS)

Phan, The-Long; Zhang, P.; Grinting, D.; Yu, S. C.; Nghia, N. X.; Dang, N. V.; Lam, V. D.

2012-07-01

Polycrystalline samples of BaTiO3 doped with 2.0 at. % Mn were prepared by solid-state reaction at various temperatures (Tan) ranging from 500 to 1350 °C, used high-pure powders of BaCO3, TiO2, and MnCO3 as precursors. Experimental results obtained from x-ray diffraction patterns and Raman scattering spectra reveal that tetragonal Mn-doped BaTiO3 starts constituting as Tan ≈ 500 °C. The Tan increase leads to the development of this phase. Interestingly, there is the tetragonal-hexagonal transformation in the crystal structure of BaTiO3 as Tan ≈ 1100 °C. Such the variations influence directly magnetic properties of the samples. Besides paramagnetic contributions of Mn2+ centers traced to electron spin resonance, the room-temperature ferromagnetism found in the samples is assigned to exchange interactions taking place between Mn3+ and Mn4+ ions located in tetragonal BaTiO3 crystals.

Microstructural characterization of the cycling behavior of electrodeposited manganese oxide supercapacitors using 3D electron tomography

NASA Astrophysics Data System (ADS)

Dalili, N.; Clark, M. P.; Davari, E.; Ivey, D. G.

2016-10-01

Manganese oxide has been investigated extensively as an electrochemical capacitor or supercapacitor electrode material. Manganese oxide is inexpensive to fabricate and exhibits relatively high capacitance values, i.e., in excess of 200 F g-1 in many cases; the actual value depends very much on the fabrication method and test conditions. The cycling behavior of Mn oxide, fabricated using anodic electrodeposition, is investigated using slice and view techniques, via a dual scanning electron microscope (SEM) and focused ion beam (FIB) instrument to generate three-dimensional (3D) images, coupled with electrochemical characterization. The initial as-fabricated electrode has a rod-like appearance, with a fine-scale, sheet-like morphology within the rods. The rod-like structure remains after cycling, but there are significant morphological changes. These include partial dissolution of Mn oxide followed by redeposition of Mn oxide in regions close to the substrate. The redeposited material has a finer morphology than the original as-fabricated Mn oxide. The Mn oxide coverage is also better near the substrate. These effects result in an increase in the specific capacitance.

Writing by Number: Teaching Students to Read the Balance Sheet.

ERIC Educational Resources Information Center

Cross, Mary

1990-01-01

Describes an assignment in which students write a short memo report analyzing and comparing both what a company says in its annual report and what its balance sheet shows. Describes four simple mathematical formulas students can use to quickly diagnose a company's financial health. Appends a sample of the short report format. (RS)

Major Appliance Repair. Teacher Edition and Student Edition. Second Edition.

ERIC Educational Resources Information Center

Smreker, Gene; Calvert, King

This second edition contains teacher and student guides for 14 units of instruction in major appliance repair. Each unit in the teacher edition includes some or all of the following basic components: objective sheet, suggested activities, answers to assignment sheets, answers to the written test, written test, a unit evaluation form, teacher…

Synthesis and characterization of reduced graphene oxide decorated with CeO2-doped MnO2 nanorods for supercapacitor applications.

PubMed

Ojha, Gunendra Prasad; Pant, Bishweshwar; Park, Soo-Jin; Park, Mira; Kim, Hak-Yong

2017-05-15

A novel and efficient CeO 2 -doped MnO 2 nanorods decorated reduced graphene oxide (CeO 2 -MnO 2 /RGO) nanocomposite was successfully synthesized via hydrothermal method. The growth of the CeO 2 doped MnO 2 nanorods over GO sheets and reduction of GO were simultaneously carried out under hydrothermal treatment. The morphology and structure of as-synthesized nanocomposite were characterized by field emission scanning electron microscopy (FE-SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), and Raman spectroscopy, which revealed the formation of CeO 2 -MnO 2 decorated RGO nanocomposites. The electrochemical performance of as-prepared CeO 2 -MnO 2 /RGO nanocomposites as an active electrode material for supercapacitor was evaluated by cyclic voltammetry, charge-discharge, and electrochemical impedance spectroscopy (EIS) methods in 2M alkaline medium. The obtained results revealed that as-synthesized CeO 2 -MnO 2 /RGO nanocomposite exhibited higher specific capacitance (648F/g) as compared to other formulations (MnO 2 /RGO nanocomposites: 315.13 F/g and MnO 2 nanorods: 228.5 F/g) at the scan rate of 5mV/s. After 1000 cycles, it retained ∼90.4%, exhibiting a good stability. The high surface area, enhanced electrical conductivity, and good stability possess by the nanocomposite make this material a promising candidate to be applied as a supercapacitor electrode. Copyright © 2017 Elsevier Inc. All rights reserved.

A Multidisciplinary First-Year Seminar about Tuberculosis.

ERIC Educational Resources Information Center

Fluck, Richard A.

2001-01-01

Describes a writing intensive seminar for college freshman. Includes goals, reading assignments, writing assignments, and group projects. Provides web-based resources on tuberculosis along with an evaluation sheet for web site reviews. Concludes that students exhibited great interest in the topic and course feedback was positive. (DLH)

Development of TRIP-Aided Lean Duplex Stainless Steel by Twin-Roll Strip Casting and Its Deformation Mechanism

NASA Astrophysics Data System (ADS)

Zhao, Yan; Zhang, Weina; Liu, Xin; Liu, Zhenyu; Wang, Guodong

2016-12-01

In the present work, twin-roll strip casting was carried out to fabricate thin strip of a Mn-N alloyed lean duplex stainless steel with the composition of Fe-19Cr-6Mn-0.4N, in which internal pore defects had been effectively avoided as compared to conventional cast ingots. The solidification structure observed by optical microscope indicated that fine Widmannstatten structure and coarse-equiaxed crystals had been formed in the surface and center, respectively, with no columnar crystal structures through the surface to center of the cast strip. By applying hot rolling and cold rolling, thin sheets with the thickness of 0.5 mm were fabricated from the cast strips, and no edge cracks were formed during the rolling processes. With an annealing treatment at 1323 K (1050 °C) for 5 minutes after cold rolling, the volume fractions of ferrite and austenite were measured to be approximately equal, and the distribution of alloying elements in the strip was further homogenized. The cold-rolled and annealed sheet exhibited an excellent combination of strength and ductility, with the ultimate tensile strength and elongation having been measured to be 1000 MPa and 65 pct, respectively. The microstructural evolution during deformation was investigated by XRD, EBSD, and TEM, indicating that ferrite and austenite had different deformation mechanisms. The deformation of ferrite phase was dominated by dislocation slipping, and the deformation of austenite phase was mainly controlled by martensitic transformation in the sequence of γ→ ɛ-martensite→ α'-martensite, leading to the improvement of strength and plasticity by the so-called transformation-induced plasticity (TRIP) effect. By contrast, lean duplex stainless steels of Fe-21Cr-6Mn-0.5N and Fe-23Cr-7Mn-0.6N fabricated by twin-roll strip casting did not show TRIP effects and exhibited lower strength and elongation as compared to Fe-19Cr-6Mn-0.4N.

Giant magnetoresistance enhancement in spin valves with nano-oxide layers

NASA Astrophysics Data System (ADS)

Lai, Chih-Huang; Chen, C. J.; Chin, T. S.

2001-06-01

The magnetoresistance (MR) ratio is enhanced by 35% by inserting the nano-oxide layer (NOL) at the Ta/Co interface in the FeMn-based top spin valves (Ta/NOL/Co/Cu/Co/FeMn/Ta). The enhancement is attributed to specular reflection, resulting in a large resistance change and small sheet resistance. However, the formation of NOL at the interface of Ta/Co suppresses the (111) texture, resulting in small exchange fields. Top spin valves with NOLs show good thermal stability up to 200 °C annealing. The MR ratio is further increased after annealing at temperatures below 200 °C. Enhancement of the MR ratio by 61% can be achieved by annealing at 150 °C. For bottom spin valves (Ta/NiFe/FeMn/Co/Cu/NiFe/Ta), NOLs formed at FeMn/Co and NiFe/Ta interfaces increase MR ratios, but NOLs at Co/Cu or Cu/NiFe deteriorate the differential spin scattering and significantly reduce MR ratios.

The Effect on One's Own Performance of Evaluating Peers.

ERIC Educational Resources Information Center

Cohen, Stuart J.

Fifty-three high school males took a minicourse on library usage. All were randomly assigned a topic and given response sheets requiring the use of dictionaries, encyclopedias, periodicals, and books. In a discussion session, all received instructional handouts. Students were assigned either to evaluating two peers' pretests (experimental) or…

A facile approach to nanoarchitectured three-dimensional graphene-based Li-Mn-O composite as high-power cathodes for Li-ion batteries.

PubMed

Zhang, Wenyu; Zeng, Yi; Xu, Chen; Xiao, Ni; Gao, Yiben; Li, Lain-Jong; Chen, Xiaodong; Hng, Huey Hoon; Yan, Qingyu

2012-01-01

We report a facile method to prepare a nanoarchitectured lithium manganate/graphene (LMO/G) hybrid as a positive electrode for Li-ion batteries. The Mn(2)O(3)/graphene hybrid is synthesized by exfoliation of graphene sheets and deposition of Mn(2)O(3) in a one-step electrochemical process, which is followed by lithiation in a molten salt reaction. There are several advantages of using the LMO/G as cathodes in Li-ion batteries: (1) the LMO/G electrode shows high specific capacities at high gravimetric current densities with excellent cycling stability, e.g., 84 mAh·g(-1) during the 500th cycle at a discharge current density of 5625 mA·g(-1) (~38.01 C capacity rating) in the voltage window of 3-4.5 V; (2) the LMO/G hybrid can buffer the Jahn-Teller effect, which depicts excellent Li storage properties at high current densities within a wider voltage window of 2-4.5 V, e.g., 93 mAh·g(-1) during the 300th cycle at a discharge current density of 5625 mA·g(-1) (~38.01 C). The wider operation voltage window can lead to increased theoretical capacity, e.g., 148 mAh·g(-1) between 3 and 4.5 V and 296 mAh·g(-1) between 2 and 4.5 V; (3) more importantly, it is found that the attachment of LMO onto graphene can help to reduce the dissolution of Mn(2+) into the electrolyte, as indicated by the inductively coupled plasma (ICP) measurements, and which is mainly attributed to the large specific surface area of the graphene sheets.

Identification of a c-Type Cytochrome Specific for Manganese Dioxide (MnO2) Reduction in Anaeromyxobacter dehalogenans Strain 2CP-C

NASA Astrophysics Data System (ADS)

Pfiffner, S. M.; Nissen, S.; Liu, X.; Chourey, K.; Vishnivetskaya, T. A.; Hettich, R.; Loeffler, F.

2014-12-01

Anaeromyxobacter dehalogenans is a metabolically versatile Deltaproteobacterium and conserves energy from the reduction of various electron acceptors, including insoluble MnO2 and ferric oxides/oxyhydroxides (FeOOH). The goal of this study was to identify c-type cytochromes involved in electron transfer to MnO2. The characterization of deletion mutants has revealed a number of c-type cytochromes involved in electron transfer to solid metal oxides in Shewanella spp. and Geobacter spp; however, a genetic system for Anaeromyxobacter is not available. The A. dehalogenans str. 2CP-C genome encodes 68 putative c-type cytochromes, which all lack functional assignments. To identify c-type cytochromes involved in electron transfer to solid MnO2, protein expression profiles of A. dehalogenans str. 2CP-C cells grown with acetate as electron donor and MnO2, ferric citrate, FeOOH, nitrate or fumarate as electron acceptors were compared. Whole cell proteomes were analyzed after trypsin proteolysis using liquid chromatography-tandem mass spectrometry (LC-MS/MS). Distinct c-type cytochrome expression patterns were observed with cells grown with different electron acceptors. A. dehalogenans str. 2CP-C grown with MnO2 expressed 25 out of the 68 c-type cytochromes encoded on the genome. The c-type cytochrome Adeh_1278 was only expressed in strain 2CP-C grown with MnO2. Reverse transcription PCR confirmed that the Adeh_1278 gene was transcribed in MnO2-grown cells but not in cells grown with other terminal electron acceptors. The expression of the Adeh_1278 gene correlated with Mn(IV) reduction activity. Adeh_1278 has three heme binding motifs and is predicted to be located in the periplasm. The identification of Adeh_1278 as a protein uniquely expressed when MnO2 serves as electron acceptor suggests its utility as a biomarker for MnO2 reduction. This example demonstrates the value of the LC-MS/MS approach for identifying specific proteins of interest and making functional assignments to proteins, including c-type cytochromes that have not been characterized. The distinctive expression of c-type cytochromes in response to growth with different terminal electron acceptors offers opportunities for functional (i.e., activity) in situ monitoring using metaproteomics or transcript-targeted approaches.

No Evidence from FTIR Difference Spectroscopy that Glutamate-189 of the D1 Polypeptide Ligates a Mn Ion that Undergoes Oxidation During the S0 to S1, S1 to S2, or S2 to S3 Transitions in Photosystem II†

PubMed Central

Strickler, Melodie A.; Hillier, Warwick; Debus, Richard J.

2008-01-01

In the recent X-ray crystallographic structural models of photosystem II, Glu189 of the D1 polypeptide is assigned as a ligand of the oxygen-evolving Mn4 cluster. To determine if D1-Glu189 ligates a Mn ion that undergoes oxidation during one or more of the S0 → S1, S1 → S2, and S2 → S3 transitions, the FTIR difference spectra of the individual S state transitions in D1-E189Q and D1-E189R mutant PSII particles from the cyanobacterium Synechocystis sp. PCC 6803 were compared with those in wild-type PSII particles. Remarkably, the data show that neither mutation significantly alters the mid-frequency regions (1800 − 1200 cm−1) of any of the FTIR difference spectra. Importantly, neither mutation eliminates any specific symmetric or asymmetric carboxylate stretching mode that might have been assigned to D1-Glu189. The small spectral alterations that are observed are similar in amplitude to those that are observed in wild-type PSII particles that have been exchanged into FTIR analysis buffer by different methods or those that are observed in D2-H189Q mutant PSII particles (the residue D2-His189 is located > 25 Å from the Mn4 cluster and accepts a hydrogen bond from Tyr YD). The absence of significant mutation-induced spectral alterations in the D1-Glu189 mutants shows that the oxidation of the Mn4 cluster does not alter the frequencies of the carboxylate stretching modes of D1-Glu189 during the S0 → S1, S1 → S2, or S2 → S3 transitions. One explanation of these data is that D1-Glu189 ligates a Mn ion that does not increase its charge or oxidation state during any of these S state transitions. However, because the same conclusion was reached previously for D1-Asp170, and because the recent X-ray crystallographic structural models assign D1-Asp170 and D1-Glu189 as ligating different Mn ions, this explanation requires that (1) the extra positive charge that develops on the Mn4 cluster during the S1 → S2 transition be localized on the Mn ion that is ligated by the α-COO− group of D1-Ala344 and (2) any increase in positive charge that develops on the Mn4 cluster during the S0 → S1 and S2 → S3 transitions be localized on the one Mn ion that is not ligated by D1-Asp170, D1-Glu189, or D1-Ala344. An alternative explanation of the FTIR data is that D1-Glu189 does not ligate the Mn4 cluster. This conclusion would be consistent with earlier spectroscopic analyses of D1-Glu189 mutants, but would require that the proximity of D1-Glu189 to manganese in the X-ray crystallographic structural models be an artifact of the radiation-induced reduction of the Mn4 cluster that occurred during the collection of the X-ray diffraction data. PMID:16846223

Multi objective Taguchi optimization approach for resistance spot welding of cold rolled TWIP steel sheets

NASA Astrophysics Data System (ADS)

Tutar, Mumin; Aydin, Hakan; Bayram, Ali

2017-08-01

Formability and energy absorption capability of a steel sheet are highly desirable properties in manufacturing components for automotive applications. TWinning Induced Plastisity (TWIP) steels are, new generation high Mn alloyed steels, attractive for the automotive industry due to its outstanding elongation (%40-45) and tensile strength (~1000MPa). So, TWIP steels provide excellent formability and energy absorption capability. Another required property from the steel sheets is suitability for manufacturing methods such as welding. The use of the steel sheets in the automotive applications inevitably involves welding. Considering that there are 3000-5000 welded spots on a vehicle, it can be interpreted that one of the most important manufacturing method is Resistance Spot Welding (RSW) for the automotive industry. In this study; firstly, TWIP steel sheet were cold rolled to 15% reduction in thickness. Then, the cold rolled TWIP steel sheets were welded with RSW method. The welding parameters (welding current, welding time and electrode force) were optimized for maximizing the peak tensile shear load and minimizing the indentation of the joints using a Taguchi L9 orthogonal array. The effect of welding parameters was also evaluated by examining the signal-to-noise ratio and analysis of variance (ANOVA) results.

Structural characterization of terrestrial microbial Mn oxides from Pinal Creek, AZ

USGS Publications Warehouse

Bargar, J.R.; Fuller, C.C.; Marcus, M.A.; Brearley, A.J.; Perez De la Rosa, M.; Webb, S.M.; Caldwell, W.A.

2009-01-01

The microbial catalysis of Mn(II) oxidation is believed to be a dominant source of abundant sorption- and redox-active Mn oxides in marine, freshwater, and subsurface aquatic environments. In spite of their importance, environmental oxides of known biogenic origin have generally not been characterized in detail from a structural perspective. Hyporheic zone Mn oxide grain coatings at Pinal Creek, Arizona, a metals-contaminated stream, have been identified as being dominantly microbial in origin and are well studied from bulk chemistry and contaminant hydrology perspectives. This site thus presents an excellent opportunity to study the structures of terrestrial microbial Mn oxides in detail. XRD and EXAFS measurements performed in this study indicate that the hydrated Pinal Creek Mn oxide grain coatings are layer-type Mn oxides with dominantly hexagonal or pseudo-hexagonal layer symmetry. XRD and TEM measurements suggest the oxides to be nanoparticulate plates with average dimensions on the order of 11 nm thick ?? 35 nm diameter, but with individual particles exhibiting thickness as small as a single layer and sheets as wide as 500 nm. The hydrated oxides exhibit a 10-?? basal-plane spacing and turbostratic disorder. EXAFS analyses suggest the oxides contain layer Mn(IV) site vacancy defects, and layer Mn(III) is inferred to be present, as deduced from Jahn-Teller distortion of the local structure. The physical geometry and structural details of the coatings suggest formation within microbial biofilms. The biogenic Mn oxides are stable with respect to transformation into thermodynamically more stable phases over a time scale of at least 5 months. The nanoparticulate layered structural motif, also observed in pure culture laboratory studies, appears to be characteristic of biogenic Mn oxides and may explain the common occurrence of this mineral habit in soils and sediments. ?? 2008 Elsevier Ltd.

Atomistic Texture of Amorphous Manganese Oxides for Electrochemical Water Splitting Revealed by Ab Initio Calculations Combined with X-ray Spectroscopy.

PubMed

Mattioli, Giuseppe; Zaharieva, Ivelina; Dau, Holger; Guidoni, Leonardo

2015-08-19

Amorphous transition-metal (hydr)oxides are considered as the most promising catalysts that promote the oxidation of water to molecular oxygen, protons, and "energized" electrons, and, in turn, as fundamental parts of "artificial leaves" that can be exploited for large scale generation of chemical fuels (e.g., hydrogen) directly from sunlight. We present here a joint theoretical-experimental investigation of electrodeposited amorphous manganese oxides with different catalytic activities toward water oxidation (MnCats). Combining the information content of X-ray absorption fine structure (XAFS) measurements with the predictive power of ab initio calculations based on density functional theory, we have been able to identify the essential structural and electronic properties of MnCats. We have elucidated (i) the localization and structural connection of Mn(II), Mn(III), and Mn(IV) ions in such amorphous oxides and (ii) the distribution of protons at the MnCat/water interface. Our calculations result in realistic 3D models of the MnCat atomistic texture, formed by the interconnection of small planar Mn-oxo sheets cross-linked through different kinds of defective Mn atoms, isolated or arranged in closed cubane-like units. Essential for the catalytic activity is the presence of undercoordinated Mn(III)O5 units located at the boundary of the amorphous network, where they are ready to act as hole traps that trigger the oxidation of neighboring water molecules when the catalyst is exposed to an external positive potential. The present validation of a sound 3D model of MnCat improves the accuracy of XAFS fits and opens the way for the development of mechanistic schemes of its functioning beyond a speculative level.

Synthesis and property of spinel porous ZnMn2O4 microspheres

NASA Astrophysics Data System (ADS)

Guo, N.; Wei, X. Q.; Deng, X. L.; Xu, X. J.

2015-11-01

Mesoporous ternary zinc manganese oxides on the Ti sheet substrate are prepared by easy and fast hydrothermal method for the first time. The obtained ZnMn2O4 materials with homogenously distributed pores have been characterized by XRD, SEM and Raman spectra, which show the good crystal phase and particles for improving supercapacitive performance. XRD and SEM images show that the as-prepared samples have good crystallinity, and ZnMn2O4 microsphere has an average diameter of 10 μm. In addition, ZnMn2O4 are also characterized in 2 M KOH solution using three-electrode system. In the work, we study that different substrates (Ti, carbon and nickel foam) have an important effect on the electrochemical performance of the samples. The research of cyclic voltammogram (CV) indicates that the obtained specific capacitance (155 F g-1) values on nickel foam substrate for the ZnMn2O4 microspheres are higher than the values reported for some inexpensive oxides. However, the specific capacitance of all ZnMn2O4 samples has almost no change at two different scan rates which shows good long-term cycling stability. The electrochemical impedance spectroscopy with a small resistance reveals that the as-synthesized samples have good frequency response characteristics. These results indicate that the unique ZnMn2O4 electrode would be a promising electrode for high-performance supercapacitor applications.

Processes of zinc attenuation by biogenic manganese oxides forming in the hyporheic zone of Pinal Creek, Arizona

PubMed Central

Fuller, Christopher C.; Bargar, John R.

2014-01-01

The distribution and speciation of Zn sorbed to biogenic Mn oxides forming in the hyporheic zone of Pinal Creek, AZ, was investigated using micro-focused Extended X-ray Absorption Fine Structure (EXAFS) and X-ray fluorescence (μSXRF) mapping , bulk EXAFS, and chemical extraction. μSXRF and chemical extractions show that contaminant Zn co-varied with Mn in streambed sediment grain coatings. Bulk and micro-focused EXAFS spectra of Zn in the biogenic Mn oxides coating are indicative of Zn forming triple corner sharing inner-sphere complexes over octahedral vacancies in the Mn oxide sheet structure. Zn desorbed in response to decreasing in pH in batch experiments and resulted in near-equal dissolved Zn at each pH over a 10-fold range in solid to solution ratio. The geometry of sorbed Zn was unchanged after 50% desorption at pH 5, indicating desorption is not controlled by dissolution of secondary Zn phases. In sum, these findings support the idea that Zn attenuation in Pinal Creek is largely controlled by sorption to microbial Mn oxides forming in the streambed during hyporheic exchange. Sorption to biogenic Mn oxides is likely an important process in Zn attenuation in circum-neutral pH reaches of many acid-mine drainage contaminated streams when dissolved Mn is present. PMID:24460038

Optical and Structural Properties of Zn2TiO4:Mn2+

NASA Astrophysics Data System (ADS)

Sosman, L. P.; López, A.; Camara, A. R.; Pedro, S. S.; Carvalho, I. C. S.; Cella, N.

2017-12-01

Polycrystalline Zn2TiO4 samples with Mn2+ doping level of 0%, 0.1%, 1.0%, and 5.0% have been produced by conventional solid-state method and their optical and structural properties investigated. Rietveld refinement of x-ray diffraction patterns revealed the formed phases and the crystallographic parameters. The chemical composition was obtained by x-ray fluorescence measurements. The optical properties were studied by photoluminescence, excitation, reflectance, and photoacoustic spectroscopy. All measurements were performed at room temperature. The photoluminescence spectrum of the pure sample (0% Mn2+) showed a band in the red region associated with Zn2TiO4, while the sample with 0.1% Mn2+ exhibited two bands, in the green and red spectral regions, assigned to Mn2+ ions at tetrahedral and octahedral sites. No emission was observed for the samples with 1.0% or 5.0% Mn2+. The excitation results for the sample with 0.1% Mn2+ ions showed characteristic peaks of Mn2+ transitions. Tanabe-Sugano theory was used to obtain the crystal field Dq, B, and C Racah parameters from the energy peak positions in the excitation spectrum of the sample with 0.1% Mn2+. Photoacoustic measurements revealed a broad band, characteristic of semiconductor materials, hiding the Mn2+ transitions.

A regulatory network to segregate the identity of neuronal subtypes.

PubMed

Lee, Seunghee; Lee, Bora; Joshi, Kaumudi; Pfaff, Samuel L; Lee, Jae W; Lee, Soo-Kyung

2008-06-01

Spinal motor neurons (MNs) and V2 interneurons (V2-INs) are specified by two related LIM-complexes, MN-hexamer and V2-tetramer, respectively. Here we show how multiple parallel and complementary feedback loops are integrated to assign these two cell fates accurately. While MN-hexamer response elements (REs) are specific to MN-hexamer, V2-tetramer-REs can bind both LIM-complexes. In embryonic MNs, however, two factors cooperatively suppress the aberrant activation of V2-tetramer-REs. First, LMO4 blocks V2-tetramer assembly. Second, MN-hexamer induces a repressor, Hb9, which binds V2-tetramer-REs and suppresses their activation. V2-INs use a similar approach; V2-tetramer induces a repressor, Chx10, which binds MN-hexamer-REs and blocks their activation. Thus, our study uncovers a regulatory network to segregate related cell fates, which involves reciprocal feedforward gene regulatory loops.

Electrochemically reduced graphene-oxide supported bimetallic nanoparticles highly efficient for oxygen reduction reaction with excellent methanol tolerance

NASA Astrophysics Data System (ADS)

Yasmin, Sabina; Cho, Sung; Jeon, Seungwon

2018-03-01

We report a simple and facile method for the fabrication of bimetallic nanoparticles on electrochemically reduced graphene oxide (ErGO) for electrocatalytic oxygen reduction reaction (ORR) in alkaline media. First, reduced graphene oxide supported palladium and manganese oxide nanoparticle (rGO/Pd-Mn2O3) catalyst was synthesized via a simple chemical method at room temperature; then, it was electrochemically reduced for oxidation reduction reaction (ORR) in alkaline media. The chemical composition and morphological properties of ErGO/Pd-Mn2O3 was characterized by X-ray photoelectron spectroscopy (XPS), transmission electron microscopy (TEM) and energy-dispersive X-ray spectroscopy (EDS). The TEM images reveals that, nano-sized Pd and Mn2O3 particles were disperse on the ErGO sheet without aggregation. The as-prepared ErGO/Pd-Mn2O3 was employed for ORR in alkaline media which shows higher ORR activity with more positive onset and half-wave potential, respectively. Remarkably, ErGO/Pd-Mn2O3 reduced oxygen via four-electron transfer pathway with negligible amount of intermediate peroxide species (HO2-). Furthermore, the higher stability and excellent methanol tolerance of the ErGO/Pd-Mn2O3 compared to commercial Pt/C (20 wt%) catalyst, indicating its suitability for fuel cells.

Electronic structural changes of Mn in the oxygen-evolving complex of photosystem II during the catalytic cycle.

PubMed

Glatzel, Pieter; Schroeder, Henning; Pushkar, Yulia; Boron, Thaddeus; Mukherjee, Shreya; Christou, George; Pecoraro, Vincent L; Messinger, Johannes; Yachandra, Vittal K; Bergmann, Uwe; Yano, Junko

2013-05-20

The oxygen-evolving complex (OEC) in photosystem II (PS II) was studied in the S0 through S3 states using 1s2p resonant inelastic X-ray scattering spectroscopy. The spectral changes of the OEC during the S-state transitions are subtle, indicating that the electrons are strongly delocalized throughout the cluster. The result suggests that, in addition to the Mn ions, ligands are also playing an important role in the redox reactions. A series of Mn(IV) coordination complexes were compared, particularly with the PS II S3 state spectrum to understand its oxidation state. We find strong variations of the electronic structure within the series of Mn(IV) model systems. The spectrum of the S3 state best resembles those of the Mn(IV) complexes Mn3(IV)Ca2 and saplnMn2(IV)(OH)2. The current result emphasizes that the assignment of formal oxidation states alone is not sufficient for understanding the detailed electronic structural changes that govern the catalytic reaction in the OEC.

ELECTRICAL AND ELECTRONIC INDUSTRIAL CONTROL. BASIC ELECTRICITY, UNIT 3, ASSIGNMENTS.

ERIC Educational Resources Information Center

SUTTON, MACK C.

THIS GUIDE IS FOR INDIVIDUAL STUDENT USE IN STUDYING BASIC ELECTRICAL FUNDAMENTALS IN ELECTRICAL-ELECTRONIC PROGRAMS. IT WAS DEVELOPED BY AN INSTRUCTIONAL MATERIALS SPECIALIST AND ADVISERS. THE COURSE OBJECTIVE IS TO DEVELOP AN UNDERSTANDING OF DIRECT CURRENT FUNDAMENTALS. EACH OF THE 10 ASSIGNMENT SHEETS PROVIDES THE LESSON SUBJECT, PURPOSE,…

ELECTRICAL AND ELECTRONIC INDUSTRIAL CONTROL. D-C MAGNETIC MOTOR CONTROL, UNIT 7, ASSIGNMENTS.

ERIC Educational Resources Information Center

SUTTON, MACK C.

THIS GUIDE IS FOR INDIVIDUAL STUDENT USE IN STUDYING DIRECT CURRENT MAGNETIC MOTOR CONTROL IN ELECTRICAL-ELECTRONIC PROGRAMS. IT WAS DEVELOPED BY AN INSTRUCTIONAL MATERIALS SPECIALIST AND ADVISERS. EACH OF THE 15 ASSIGNMENT SHEETS PROVIDES THE LESSON SUBJECT, PURPOSE, INTRODUCTORY INFORMATION, STUDY REFERENCES, AND PROBLEMS. SOME OF THE LESSONS…

ELECTRICAL AND ELECTRONIC INDUSTRIAL CONTROL. A-C CONVENTIONAL MAGNETIC MOTOR CONTROL, PART I, UNIT 5, ASSIGNMENTS.

ERIC Educational Resources Information Center

SUTTON, MACK C.

THIS GUIDE IS FOR INDIVIDUAL STUDENT USE IN STUDYING ALTERNATING CURRENT CONVENTIONAL MAGNETIC MOTOR CONTROL IN ELECTRICAL-ELECTRONIC PROGRAMS. IT WAS DEVELOPED BY AN INSTRUCTIONAL MATERIALS SPECIALIST AND ADVISERS. EACH OF THE 10 ASSIGNMENT SHEETS PROVIDES THE LESSON SUBJECT, PURPOSE, INTRODUCTORY INFORMATION, STUDY REFERENCES, SUPPLEMENTARY…

ELECTRICAL AND ELECTRONIC INDUSTRIAL CONTROL. BASIC ELECTRICITY, UNIT 2, ASSIGNMENTS.

ERIC Educational Resources Information Center

SUTTON, MACK C.

THIS GUIDE IS FOR INDIVIDUAL STUDENT USE IN STUDYING BASIC ELECTRICAL FUNDAMENTALS IN ELECTRICAL-ELECTRONIC PROGRAMS. IT WAS DEVELOPED BY AN INSTRUCTIONAL MATERIALS SPECIALIST AND ADVISERS. THE COURSE OBJECTIVE IS TO DEVELOP AN UNDERSTANDING OF DIRECT CURRENT FUNDAMENTALS. EACH OF THE 15 ASSIGNMENT SHEETS PROVIDES THE LESSON SUBJECT, PURPOSE,…

Two-dimensional La2/3Sr4/3MnO4 Manganite Films Probed by Epitaxial Strain and Cation Ordering

NASA Astrophysics Data System (ADS)

Nelson-Cheeseman, Brittany; Santos, Tiffany; Bhattacharya, Anand

2010-03-01

Dimensionality is known to play a central role in the properties of strongly correlated systems. Here we investigate magnetism and transport in thin films of the Ruddlesden-Popper n=1 phase, La1-xSr1+xMnO4. Within this material, the MnO6-octahedra form two-dimensional perovskite sheets separated by an extra rocksalt layer. By fabricating high quality thin films with ozone-assisted molecular beam epitaxy, we study how the effects of epitaxial strain and intentional cation ordering, known as digital synthesis, influence the properties of this 2-dimensional manganite. For example, at the same Mn^3+:Mn^4+ ratio (2:1) as its fully spin-polarized 3D manganite counterpart, this two dimensional analog at x=1/3 only displays a spin glass phase below 20K in bulk. This is believed to result from a competition between superexchange and double exchange, as well as disordered Jahn-Teller distortions. However, in our films we find weak ferromagnetic order up to much higher temperatures in addition to a low temperature spin glass phase. We will discuss how strain and cation order effect the presence of this weak ferromagnetism.

BARBERING, A STUDY GUIDE AND PROGRESSION RECORD FOR BARBERING STUDENTS IN A COOPERATIVE TRAINING PROGRAM.

ERIC Educational Resources Information Center

Alabama Univ., University.

QUESTION-TYPE JOB OR ASSIGNMENT SHEETS IN THIS GUIDE DIRECT THE STUDENT'S RELATED STUDY IN COOPERATIVE TRAINING PROGRAMS. THE MATERIAL WAS DEVELOPED BY TRADE AND INDUSTRIAL COORDINATORS, SUBJECT MATTER SPECIALISTS, AND TEACHER EDUCATORS. IT WAS TESTED BY USE IN HIGH SCHOOL PROGRAMS. THE 61 JOB SHEETS ARE KEYED TO THREE RELATED REFERENCE BOOKS, BUT…

Experimental evaluation of tool wear throughout a continuous stroke blanking process of quenched 22MnB5 ultra-high-strength steel

NASA Astrophysics Data System (ADS)

Vogt, S.; Neumayer, F. F.; Serkyov, I.; Jesner, G.; Kelsch, R.; Geile, M.; Sommer, A.; Golle, R.; Volk, W.

2017-09-01

Steel is the most common material used in vehicles’ chassis, which makes its research an important topic for the automotive industry. Recently developed ultra-high-strength steels (UHSS) provide extreme tensile strength up to 1,500 MPa and combine great crashworthiness with good weight reduction potential. However, in order to reach the final shape of sheet metal parts additional cutting steps such as trimming and piercing are often required. The final trimming of quenched metal sheets presents a huge challenge to a conventional process, mainly because of the required extreme cutting force. The high cutting impact, due to the materials’ brittleness, causes excessive tool wear or even sudden tool failure. Therefore, a laser is commonly used for the cutting process, which is time and energy consuming. The purpose of this paper is to demonstrate the capability of a conventional blanking tool design in a continuous stroke piercing process using boron steel 22MnB5 sheets. Two different types of tool steel were tested for their suitability as active cutting elements: electro-slag remelted (ESR) cold work tool steel Bohler K340 ISODUR and powder-metallurgic (PM) high speed steel Bohler S390 MICROCLEAN. A FEM study provided information about an optimized punch design, which withstands buckling under high cutting forces. The wear behaviour of the process was assessed by the tool wear of the active cutting elements as well as the quality of cut surfaces.

Jahn-Teller distortion of Mn3+-occupied octahedra in red beryl from Utah indicated by optical spectroscopy

NASA Astrophysics Data System (ADS)

Fridrichová, Jana; Bačík, Peter; Ertl, Andreas; Wildner, Manfred; Dekan, Július; Miglierini, Marcel

2018-01-01

Red beryl from Utah is chemically homogeneous and contains only Fe < 0.163, Mn < 0.018, and Mg < 0.016 apfu. Channel sites contain only up to Cs 0.011, K 0.009, Rb 0.004, and Na 0.004 apfu. This suggests only very slight tetrahedral (Cs,K,Rb)Li□-1Be-1 substitution, octahedral Na(Fe2+,Mg)□-1Al-1 substitution can be excluded. Fe and Mn are trivalent as documented by Mössbauer spectroscopy and optical absorption spectroscopy. Red beryl optimized formula is ∼[(Cs,Rb,K)0.02□0.98]Σ1.00□1.00(Al1.79Fe3+0.16Mn3+0.02Ti4+0.02Mg0.01)Σ2.00Be3(Si6O18). Location of Mn3+ was estimated to the octahedral Al3+ site, other choices are improbable due to the bond-length requirements. No Mn3+-induced Jahn-Teller structural distortion was detected due to site symmetry restrictions and small Mn3+ content. However, optical spectroscopy shows broad band at ∼7190 cm-1 assigned to the excited level of the spin-allowed pseudo-tetragonal split E ground state of elongated six-fold Mn3+ coordination. Crystal field calculations indicate that the local Mn3+ environment complies well with crystal chemical expectations for Jahn-Teller distorted Mn3+O6 octahedra.

Synthesis and electrochemical performance of polyaniline @MnO2/graphene ternary composites for electrochemical supercapacitors

NASA Astrophysics Data System (ADS)

Pan, Chao; Gu, Haiteng; Dong, Li

2016-01-01

We introduce a facile method to construct new ternary hierarchical nanocomposites by combining MnO2 coated one dimensional (1D) conducting polyaniline (PANI) nanowires with 2D graphene sheets (GNs). The hierarchical nanocomposite structures of PANI@MnO2/GNs (PMGNs) are further proved by X-ray diffraction (XRD), FT-IR, field emission scanning electron microscopy (FESEM), transmission electron microscope (TEM), thermogravimetric analysis (TGA), and X-ray photoelectron spectroscopy (XPS). The electrochemical characteristics of the electrodes made of the hierarchical structured PMGNs materials are determined by the CV and galvanostatic measurements. These electrochemical tests indicate that electrodes made of the nanostructured PMGNs exhibit an improved reversible capacitance of 695 F g-1 after 1000 cycles at a high current density of 4 A g-1. The ternary composites possess higher electrochemical capacitance than each individual component as supercapacitor electrode materials. Such intriguing electrochemical performance is mainly attributed to the synergistic effects of MnO2, PANI and graphene. The hierarchical ternary nanocomposites show excellent electrochemical properties for energy storage applications, which evidence their potential application as supercapacitors.

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

Wemmer, D.E.; Kumar, N.V.; Metrione, R.M.

Toxin II from Radianthus paumotensis (Rp/sub II/) has been investigated by high-resolution NMR and chemical sequencing methods. Resonance assignments have been obtained for this protein by the sequential approach. NMR assignments could not be made consistent with the previously reported primary sequence for this protein, and chemical methods have been used to determine a sequence with which the NMR data are consistent. Analysis of the 2D NOE spectra shows that the protein secondary structure is comprised of two sequences of ..beta..-sheet, probably joined into a distorted continuous sheet, connected by turns and extended loops, without any regular ..cap alpha..-helical segments.more » The residues previously implicated in activity in this class of proteins, D8 and R13, occur in a loop region.« less

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

Zimmermann, Iwan; Kremer, Reinhard K.; Johnsson, Mats, E-mail: mats.johnsson@mmk.su.se

The new compounds Mn{sub 4}(TeO{sub 3})(SiO{sub 4})X{sub 2} (X=Br, Cl) were synthesized by solid state reactions in sealed evacuated silica tubes. The compounds crystallize in the monoclinic space group P2{sub 1}/m with the unit cell parameters a=5.5463(3) Å (5.49434(7) Å), b=6.4893(4) Å (6.44184(9) Å), c=12.8709(7) Å (12.60451(18) Å), β=93.559(5)° (94.1590(12)°) and Z=2 for the respective Br and Cl analogues. Manganese adopts various distorted coordination polyhedra; [MnO{sub 6}] octahedra, [MnO{sub 5}] tetragonal pyramids and [MnO{sub 2}X{sub 2}] tetrahedra. Other building blocks are [SiO{sub 4}] tetrahedra and [TeO{sub 3}] trigonal pyramids. The structure is made up from layers having no net chargemore » that are connected via weak Van der Waal interactions. The layers that are parallel to (1 1 0) consist of two manganese oxide sheets which are separated by [SiO{sub 4}] tetrahedra. On the outer sides of the sheets are the [MnO{sub 2}X{sub 2}] tetrahedra and the [TeO{sub 3}] trigonal pyramids connected so that the halide ions and the stereochemically active lone pairs on the tellurium atoms protrude from the layers. Magnetic susceptibility measurements reveal a Curie law with a Weiss temperature of θ=−153(3) K for temperatures ≥100 K and indicate antiferromagnetic ordering at T{sub N} ∼4 K. Possible structural origins of the large frustration parameter of f=38 are discussed. - Graphical abstract: Table of contents caption. The new compounds Mn{sub 4}(TeO{sub 3})(SiO{sub 4})X{sub 2} (X=Br, Cl) are layered with weak Van der Waal interactions in between the layers. Manganese adopts various distorted coordination polyhedral, other building blocks are [SiO{sub 4}] tetrahedra and [TeO{sub 3}] trigonal pyramids. Magnetic susceptibility measurements indicate antiferromagnetic ordering at low temperatures and a large frustration parameter. - Highlights: • Two new isostructural oxohalide compounds are described. • The compounds are the first examples of oxohalides containing both Te{sup 4+} and Si{sup 4+}. • Both compounds display the unusual coordination polyhedron MnO{sub 2}X{sub 2} (X=Cl, Br). • The compounds are made up of charge neutral layers connected via weak interactions. • The compounds are antiferromagnetic and display a large frustration parameter.« less

Synthesis, structural, optical and dielectric properties of transition metal doped ZnMnO nanoparticles by sol-gel combustion technique

NASA Astrophysics Data System (ADS)

Dar, M. A.; Varshney, Dinesh

2018-02-01

Nanocrystalline samples of Zn0.94Mn0.06O and transition metal (TM) doped Zn0.94Mn0.01TM0.05O (TM = Co, Ni, and Cu) were prepared by sol-gel auto combustion method. X-ray diffraction (XRD) pattern infers that all synthesized samples except Zn0.94Mn0.01Ni0.05O and Zn0.94Mn0.01Cu0.05O with secondary phases of NiO and CuO are in single phase with hexagonal wurtzite structure (P63mc space group). Raman spectroscopy reveals four vibrational phonon modes are centered at 331, 380, 410, and 438 cm-1, assigned as E2 (H)-E2(L), A1(TO), E1(TO), and E1(LO) modes, respectively. A Raman spectrum of Zn0.94Mn0.01TM0.05O is entirely different from undoped Zn0.94Mn0.06O sample. Also, the infrared spectrum of transition metal doped samples is completely different from undoped Zn0.94Mn0.06O. Similar spectra are observed for Zn0.94Mn0.01Co0.05O, Zn0.94Mn0.01NiO, Zn0.94Mn0.01Cu0.05O and Zn0.94Mn0.01Zn0.05O samples. It was found that the band gap of Zn0.94Mn0.06O increased from 3.19 to 3.25eV by doping 5% transition metal oxide. Improved dielectric constant and reduced dielectric loss is measured for Zn0.94Mn0.01Ni/Cu0.05O as compared to Zn0.94Mn0.06O.

A facile approach to fabricate flexible all-solid-state supercapacitors based on MnFe2O4/graphene hybrids

NASA Astrophysics Data System (ADS)

Cai, Weihua; Lai, Ting; Dai, Wanlin; Ye, Jianshan

2014-06-01

A critical challenge for the construction of flexible electrochemical capacitors is the preparation of flexible electrodes with large specific capacitance and robust mechanical strength. Here, we demonstrate a facile approach to make high performance and flexible electrodes by dropping MnFe2O4/graphene hybrid inks onto flexible graphite sheets (as current collectors and substrates) and drying under an infrared lamp. MnFe2O4/graphene hybrid inks are synthesized by immobilizing the MnFe2O4 microspheres on the graphene nanosheets via a simple solvothermal route. Electrochemical studies show that MnFe2O4/graphene exhibits a high capacitance of 300 F g-1 at a current density of 0.3 A g-1. In addition, the excellent electrochemical performance of a supercapacitor consisting of a sandwich structure of two pieces of MnFe2O4/graphene hybrids modified electrodes separated by polyvinyl alcohol (PVA)-H2SO4 gel electrolyte is further explored. Our studies reveal that the flexible supercapacitor device with 227 μm thickness can achieve a maximum specific capacitance of 120 F g-1 at a current density of 0.1 A g-1 and excellent cycle performance retaining 105% capacitance after 5000 cycles. This research may offer a method for the fabrication of lightweight, stable, flexible and high performance energy storage devices.

High Volumetric Energy Density Asymmetric Supercapacitors Based on Well-Balanced Graphene and Graphene-MnO2 Electrodes with Densely Stacked Architectures.

PubMed

Sheng, Lizhi; Jiang, Lili; Wei, Tong; Fan, Zhuangjun

2016-10-01

The well-matched electrochemical parameters of positive and negative electrodes, such as specific capacitance, rate performance, and cycling stability, are important for obtaining high-performance asymmetric supercapacitors. Herein, a facile and cost-effective strategy is demonstrated for the fabrication of 3D densely stacked graphene (DSG) and graphene-MnO 2 (G-MnO 2 ) architectures as the electrode materials for asymmetric supercapacitors (ASCs) by using MnO 2 -intercalated graphite oxide (GO-MnO 2 ) as the precursor. DSG has a stacked graphene structure with continuous ion transport network in-between the sheets, resulting in a high volumetric capacitance of 366 F cm -3 , almost 2.5 times than that of reduced graphene oxide, as well as long cycle life (93% capacitance retention after 10 000 cycles). More importantly, almost similar electrochemical properties, such as specific capacitance, rate performance, and cycling stability, are obtained for DSG as the negative electrode and G-MnO 2 as the positive electrode. As a result, the assembled ASC delivers both ultrahigh gravimetric and volumetric energy densities of 62.4 Wh kg -1 and 54.4 Wh L -1 (based on total volume of two electrodes) in 1 m Na 2 SO 4 aqueous electrolyte, respectively, much higher than most of previously reported ASCs in aqueous electrolytes. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Strength and Formability Improvement of Al-Cu-Mn Aluminum Alloy Complex Parts by Thermomechanical Treatment with Sheet Hydroforming

NASA Astrophysics Data System (ADS)

Chen, Yi-Zhe; Liu, Wei; Yuan, Shi-Jian

2015-05-01

Normally, the strength and formability of aluminum alloys can be increased largely by severe plastic deformation and heat treatment. However, many plastic deformation processes are more suitable for making raw material, not for formed parts. In this article, an experimental study of the thermomechanical treatment by using the sheet hydroforming process was developed to improve both mechanical strength and formability for aluminum alloys in forming complex parts. The limiting drawing ratio, thickness, and strain distribution of complex parts formed by sheet hydroforming were investigated to study the formability and sheet-deformation behavior. Based on the optimal formed parts, the tensile strength, microhardness, grain structure, and strengthening precipitates were analyzed to identify the strengthening effect of thermomechanical treatment. The results show that in the solution state, the limiting drawing ratio of cylindrical parts could be increased for 10.9% compared with traditional deep drawing process. The peak values of tensile stress and microhardness of formed parts are 18.0% and 12.5% higher than that in T6 state. This investigation shows that the thermomechanical treatment by sheet hydroforming is a potential method for the products manufacturing of aluminum alloy with high strength and good formability.

AVAILABLE INSTRUCTIONAL MATERIALS.

ERIC Educational Resources Information Center

Indiana State Univ., Terre Haute.

THE INSTRUCTIONAL MATERIALS INCLUDE PROGRAM BROCHURES, CHARTS, COURSE OUTLINES, OVERHEAD TRANSPARENCIES, ASSIGNMENT SHEETS, STUDENT MANUALS, TEACHER MANUALS, TECHNICAL INFORMATION, AND RELATED INFORMATION IN VOCATIONAL EDUCATION. A BRIEF NOTE DESCRIBES EACH. (EM)

Transport properties of two-dimensional metal-phthalocyanine junctions: An ab initio study

NASA Astrophysics Data System (ADS)

Liu, Shuang-Long; Wang, Yun-Peng; Li, Xiang-Guo; Cheng, Hai-Ping

We study two dimensional (2D) electronic/spintronic junctions made of metal-organic frameworks via first-principles simulation. The system consists of two Mn-phthalocyanine leads and a Ni-phthalocyanine center. A 2D Mn phthalocyanine sheet is ferromagnetic half metal and a 2D Ni phthalocyanine sheet is nonmagnetic semiconductor. Our results show that this system has a large tunnel magnetic resistance. The transmission coefficient at Fermi energy decays exponentially with the length of the central region which is not surprising. However, the transmission of the junction can be tuned using gate voltage by up to two orders of magnitude. The origin of the change lies in the mode matching between the lead and the center electronic states. Moreover, the threshold gate voltage varies with the length of the center region which provides a way of engineering the transport properties. Finally, we combine non-equilibrium Green's function and Boltzmann transport equation to compute conductance of the junction. This work was supported by the US Department of Energy (DOE), Office of Basic Energy Sciences (BES), under Contract No. DE-FG02-02ER45995. Computations were done using the utilities of NERSC and University of Florida Research Computing.

UV-Induced [2+2] Grafting-To Reactions for Polymer Modification of Cellulose.

PubMed

Conradi, Matthias; Ramakers, Gijs; Junkers, Thomas

2016-01-01

Benzaldehyde-functional cellulose paper sheets have been synthesized via tosylation of cellulose (Whatman No 5) followed by addition of p-hydroxy benzaldehyde. Via UV-induced Paterno-Büchi [2+2] cycloaddition reactions, these aldehyde functional surfaces are grafted with triallylcyanurate, trimethylolpropane allyl ether, and vinyl chloroacetate. In the following, allyl-functional polymers (poly(butyl acrylate), pBA, Mn = 6990 g mol(-1) , Đ = 1.12 and poly(N-isopropyl acrylamide), pNIPAAm, Mn = 9500 g mol(-1) , Đ = 1.16) synthesized via reversible addition fragmentation chain transfer polymerization are conjugated to the celloluse surface in a UV-induced grafting-to approach. With pBA, hydrophobic cellulose sheets are obtained (water contact angle 116°), while grafting of pNIPAAm allows for generation of "smart" surfaces, which are hydrophilic at room temperature, but that become hydrophobic when heated above the characteristic lower critical solution temperature (93° contact angle). The Paterno-Büchi reaction has been shown to be a versatile synthetic tool that also performs well in grafting-to approaches whereby its overall performance seems to be close to that of radical thiol-ene reactions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Photochemical Formation and Transformation of Birnessite: Effects of Cations on Micromorphology and Crystal Structure.

PubMed

Zhang, Tengfei; Liu, Lihu; Tan, WenFeng; Suib, Steven L; Qiu, Guohong; Liu, Fan

2018-05-24

As important components with excellent oxidation and adsorption activity in soils and sediments, manganese oxides affect the transportation and fate of nutrients and pollutants in natural environments. In this work, birnessite was formed by photocatalytic oxidation of Mn2+aq in the presence of nitrate under solar irradiation. The effects of concentrations and species of interlayer cations (Na+, Mg2+, and K+) on birnessite crystal structure and micromorphology were investigated. The roles of adsorbed Mn2+ and pH in the transformation of the photosynthetic birnessite were further studied. The results indicated that Mn2+aq was oxidized to birnessite by superoxide radicals (O2•-) generated from the photolysis of NO3- under UV irradiation. The particle size and thickness of birnessite decreased with increasing cation concentration. The birnessite showed a plate-like morphology in the presence of K+, while exhibited a rumpled sheet-like morphology when Na+ or Mg2+ was used. The different micromorphologies of birnessites could be ascribed to the position of cations in the interlayer. The adsorbed Mn2+ and high pH facilitated the reduction of birnessite to low-valence manganese oxides including hausmannite, feitknechtite, and manganite. This study suggests that interlayer cations and Mn2+ play essential roles in the photochemical formation and transformation of birnessite in aqueous environments.

Effect of YAG laser cutting on stretch-flangeability of TRIP steels

NASA Astrophysics Data System (ADS)

Nagasaka, A.; Sugimoto, K.-I.; Kobayashi, M.

2003-10-01

The effect of YAG laser cutting on the stretch-flangeability of transformation-induced plasticity (TRIP)-aided dual-phase sheet steels (TDP steels), which had different contents of C, Si and Mn, was examined. In TDP steels in which Si and Mn contents were constant and C content was varied ((O.1 0.4)C 1.5Si 1.5Mn, mass%), the strength stretch-flangeability balance (TS × λ) of holes obtained by either laser cutting, hole-punching or drilling decreased with increasing C content. When the C content was 0.3 mass% or higher, the λ value in the case of laser cutting, which originally was as good as that in the case of drilling, decreased to a level comparable to that in the case of hole-punching. On the other hand, in TDP steels in which Si and Mn contents were varied and C content was kept constant (0.2C (1.0 2.0)Si (1.0 2.0)Mn, mass%), the λ value of the hole obtained by hote-punching was low under high TS, however, the value was greatly improved by laser cutting. Based on the above results, we demonstrated that YAG laser cutting contributes to the improvement of the stretch-flangeability of 980-MPa-class TDP steels with 0.2 mass% C.

Electronic structure of the Mn4OxCa cluster in the S0 and S2 states of the oxygen-evolving complex of photosystem II based on pulse 55Mn-ENDOR and EPR spectroscopy.

PubMed

Kulik, Leonid V; Epel, Boris; Lubitz, Wolfgang; Messinger, Johannes

2007-11-07

The heart of the oxygen-evolving complex (OEC) of photosystem II is a Mn4OxCa cluster that cycles through five different oxidation states (S0 to S4) during the light-driven water-splitting reaction cycle. In this study we interpret the recently obtained 55Mn hyperfine coupling constants of the S0 and S2 states of the OEC [Kulik et al. J. Am. Chem. Soc. 2005, 127, 2392-2393] on the basis of Y-shaped spin-coupling schemes with up to four nonzero exchange coupling constants, J. This analysis rules out the presence of one or more Mn(II) ions in S0 in methanol (3%) containing samples and thereby establishes that the oxidation states of the manganese ions in S0 and S2 are, at 4 K, Mn4(III, III, III, IV) and Mn4(III, IV, IV, IV), respectively. By applying a "structure filter" that is based on the recently reported single-crystal EXAFS data on the Mn4OxCa cluster [Yano et al. Science 2006, 314, 821-825] we (i) show that this new structural model is fully consistent with EPR and 55Mn-ENDOR data, (ii) assign the Mn oxidation states to the individual Mn ions, and (iii) propose that the known shortening of one 2.85 A Mn-Mn distance in S0 to 2.75 A in S1 [Robblee et al. J. Am. Chem. Soc. 2002, 124, 7459-7471] corresponds to a deprotonation of a mu-hydroxo bridge between MnA and MnB, i.e., between the outer Mn and its neighboring Mn of the mu3-oxo bridged moiety of the cluster. We summarize our results in a molecular model for the S0 --> S1 and S1 --> S2 transitions.

Multi-Scale Simulations of Carbon Nanotubes: Mechanics and Electronics

NASA Technical Reports Server (NTRS)

Srivastava, Deepak

2003-01-01

Carbon Nanotube (CNT) is a tubular form of carbon with diameter as small as 1 nm. Length: few mn to microns. CNT is configurationally equivalent to a two dimensional graphene sheet rolled into a tube. CNT exhibits extraordinary mechanical properties; Young's modulus over 1 Tera Pascal, as stiff as diamond, and tensile strength approx. 200 GPa. CNT can be metallic or semiconducting, depending on chirality.

The optical properties of Sr3SiAl10O20 and Sr3SiAl10O20:Mn4+

NASA Astrophysics Data System (ADS)

Jansen, Thomas; Jüstel, Thomas

2017-11-01

Mn4+-activated luminescent materials have attracted significant attention recently. In particular, alkaline earth aluminates, such as Sr4Al14O25:Mn4+ and CaAl12O19:Mn4+, emit light in the red region, which can be exploited in phosphor-converted LEDs. We applied a sol-gel precursor followed by a ceramic method to synthesize highly crystalline Mn4+-doped Sr3SiAl10O20. The compound Sr3SiAl10O20:Mn4+ exhibits deep red photoluminescence that peaks at 663 nm, which can be assigned to the 2Eg → 4A2g intraconfigurational transition of Mn4+ ([Ar]3d.3 configuration) within the [MnO6]8- octahedra on the aluminum site in the Sr3SiAl10O20 (Space group C12/m1) host structure. The photoluminescence properties, such as the temperature dependence of the luminescence intensity and luminescence lifetime, are presented. Furthermore, the luminescence intensity as function of the activator concentration was investigated. Additionally, the band structure of the undoped host material was treated with Density Functional Theory (DFT). The theoretical results were evaluated experimentally with diffuse UV reflectance spectroscopy. Finally, the crystal field and Racah parameters were extracted to compare with those reported in the literature.

The electronic spectrum of manganese hydride

NASA Astrophysics Data System (ADS)

Balfour, Walter J.

1988-04-01

The electronic spectrum of MnH is discussed with particular reference to the infrared system near 847 nm, which is assigned by rotational analysis to a 5 Σ-5 Σ transition, and the 480 nm system which is assigned to a 5 Π-5 Σ transition. The two systems have the same lower state. Bond lengths in the lower 5 Σ, the upper 5 Σ and the 5 Π states are 0.1638, 0.1655, and 0.1674 nm, respectively.

Mn(II) Oxidation by the Multicopper Oxidase Complex Mnx: A Binuclear Activation Mechanism.

PubMed

Soldatova, Alexandra V; Tao, Lizhi; Romano, Christine A; Stich, Troy A; Casey, William H; Britt, R David; Tebo, Bradley M; Spiro, Thomas G

2017-08-23

The bacterial protein complex Mnx contains a multicopper oxidase (MCO) MnxG that, unusually, catalyzes the two-electron oxidation of Mn(II) to MnO 2 biomineral, via a Mn(III) intermediate. Although Mn(III)/Mn(II) and Mn(IV)/Mn(III) reduction potentials are expected to be high, we find a low reduction potential, 0.38 V (vs Normal Hydrogen Electrode, pH 7.8), for the MnxG type 1 Cu 2+ , the electron acceptor. Indeed the type 1 Cu 2+ is not reduced by Mn(II) in the absence of molecular oxygen, indicating that substrate oxidation requires an activation step. We have investigated the enzyme mechanism via electronic absorption spectroscopy, using chemometric analysis to separate enzyme-catalyzed MnO 2 formation from MnO 2 nanoparticle aging. The nanoparticle aging time course is characteristic of nucleation and particle growth; rates for these processes followed expected dependencies on Mn(II) concentration and temperature, but exhibited different pH optima. The enzymatic time course is sigmoidal, signaling an activation step, prior to turnover. The Mn(II) concentration and pH dependence of a preceding lag phase indicates weak Mn(II) binding. The activation step is enabled by a pK a > 8.6 deprotonation, which is assigned to Mn(II)-bound H 2 O; it induces a conformation change (consistent with a high activation energy, 106 kJ/mol) that increases Mn(II) affinity. Mnx activation is proposed to decrease the Mn(III/II) reduction potential below that of type 1 Cu(II/I) by formation of a hydroxide-bridged binuclear complex, Mn(II)(μ-OH)Mn(II), at the substrate site. Turnover is found to depend cooperatively on two Mn(II) and is enabled by a pK a 7.6 double deprotonation. It is proposed that turnover produces a Mn(III)(μ-OH) 2 Mn(III) intermediate that proceeds to the enzyme product, likely Mn(IV)(μ-O) 2 Mn(IV) or an oligomer, which subsequently nucleates MnO 2 nanoparticles. We conclude that Mnx exploits manganese polynuclear chemistry in order to facilitate an otherwise difficult oxidation reaction, as well as biomineralization. The mechanism of the Mn(III/IV) conversion step is elucidated in an accompanying paper .

White long-lasting phosphorescence generation in a CaAl2Si2O8 : Eu2+, Mn2+, Dy3+ system through persistent energy transfer

NASA Astrophysics Data System (ADS)

Zhang, Jinsu; Chen, Baojiu; Sun, Jiashi; Li, Xiangping; Cheng, Lihong; Zhong, Haiyang

2012-08-01

Based on the persistent energy transfer principle, Mn2+ was introduced into a CaAl2Si2O8 : Eu2+/Dy3+ phosphor to achieve white long-lasting emissions. Eu2+, Mn2+ and Dy3+ tri-doped CaAl2Si2O8 phosphors with various Mn2+ concentrations were prepared via a solid-state reaction, and the crystal structure of the phosphors was identified by the x-ray diffraction technique. The luminescent properties of the Eu2+, Mn2+ and Dy3+ tri-doped CaAl2Si2O8 phosphors were studied. The energy transfer behaviour from Eu2+ to Mn2+ was analysed within the framework of Dexter theory. The physical mechanism of energy transfer was assigned to the electric dipole-quadrupole interaction. It was also demonstrated that the colour coordinates of the phosphors can be tuned from the blue region to the white region in the colour space. Furthermore, the afterglow decay and thermoluminescence curves were measured, indicating excellent phosphorescence properties of the current phosphors.

Malonate-containing manganese(III) complexes: synthesis, crystal structure, and magnetic properties of AsPh4[Mn(mal)2(H2O)2].

PubMed

Delgado, Fernando S; Kerbellec, Nicolas; Ruiz-Pérez, Catalina; Cano, Joan; Lloret, Francesc; Julve, Miguel

2006-02-06

The novel manganese(III) complexes PPh4[Mn(mal)2(H2O)2] (1) and AsPh4[Mn(mal)2(H2O)2] (2) (PPh4+ = tetraphenylphosphonium cation, AsPh4+ = tetraphenylarsonium cation, and H2mal = malonic acid) have been prepared, and the structure of 2 was determined by X-ray diffraction analysis. 2 is a mononuclear complex whose structure is made up of trans-diaquabis(malonato)manganate(III) units and tetraphenylarsonium cations. Two crystallographically independent manganese(III) ions (Mn(1) and Mn(2)) occur in 2 that exhibit elongated octahedral surroundings with four oxygen atoms from two bidentate malonate groups in equatorial positions (Mn(1)-O = 1.923(6) and 1.9328(6) A and Mn(2)-O = 1.894(6) and 1.925(6) A) and two trans-coordinated water molecules in the axial sites (Mn(1)-Ow = 2.245(6) A and Mn(2)-Ow = 2.268(6) A). The [Mn(mal)2(H2O)2]- units are linked through hydrogen bonds involving the free malonate-oxygen atoms and the coordinated water molecules to yield a quasi-square-type anionic layer growing in the ab plane. The shortest intralayer metal-metal separations are 7.1557(7) and 7.1526(7) A (through the edges of the square). The anionic sheets are separated from each other by layers of AsPh4+ where sextuple- and double-phenyl embraces occur. The magnetic behavior of 1 and 2 in the temperature range 1.9-290 K reveals the occurrence of weak intralayer ferromagnetic interactions (J = +0.081(1) (1) and +0.072(2) cm(-1) (2)). These values are compared to those of the weak antiferromagnetic coupling [J = -0.19(1) cm(-1)], which is observed in the chain compound K2[Mn(mal)2(MeOH)2][Mn(mal)2] (3), where the exchange pathway involves the carboxyate-malonate bridge in the anti-syn conformation. The structure of 3 was reported elsewhere. Theoretical calculations on fragment models of 2 and 3 were performed to analyze and substantiate both the nature and magnitude of the magnetic couplings observed.

Flexible Asymmetric Solid-State Supercapacitors by Highly Efficient 3D Nanostructured α-MnO2 and h-CuS Electrodes.

PubMed

Patil, Amar M; Lokhande, Abhishek C; Shinde, Pragati A; Lokhande, Chandrakant D

2018-05-16

A simplistic and economical chemical way has been used to prepare highly efficient nanostructured, manganese oxide (α-MnO 2 ) and hexagonal copper sulfide (h-CuS) electrodes directly on cheap and flexible stainless steel sheets. Flexible solid-state α-MnO 2 /flexible stainless steel (FSS)/polyvinyl alcohol (PVA)-LiClO 4 /h-CuS/FSS asymmetric supercapacitor (ASC) devices have been fabricated using PVA-LiClO 4 gel electrolyte. Highly active surface areas of α-MnO 2 (75 m 2 g -1 ) and h-CuS (83 m 2 g -1 ) electrodes contribute to more electrochemical reactions at the electrode and electrolyte interface. The ASC device has a prolonged working potential of +1.8 V and accomplishes a capacitance of 109.12 F g -1 at 5 mV s -1 , energy density of 18.9 Wh kg -1 , and long-term electrochemical cycling with a capacity retention of 93.3% after 5000 cycles. Additionally, ASC devices were successful in glowing seven white-light-emitting diodes for more than 7 min after 30 s of charging. Outstandingly, real practical demonstration suggests "ready-to-sell" products for industries.

Bridging Redox Species-Coated Graphene Oxide Sheets to Electrode for Extending Battery Life Using Nanocomposite Electrolyte.

PubMed

Huang, Yi Fu; Ruan, Wen Hong; Lin, Dong Ling; Zhang, Ming Qiu

2017-01-11

Substituting conventional electrolyte for redox electrolyte has provided a new intriguing method for extending battery life. The efficiency of utilizing the contained redox species (RS) in the redox electrolyte can benefit from increasing the specific surface area of battery electrodes from the electrode side of the electrode-electrolyte interface, but is not limited to that. Herein, a new strategy using nanocomposite electrolyte is proposed to enlarge the interface with the aid of nanoinclusions from the electrolyte side. To do this, graphene oxide (GO) sheets are first dispersed in the electrolyte solution of tungstosilicic salt/lithium sulfate/poly(vinyl alcohol) (SiWLi/Li 2 SO 4 /PVA), and then the sheets are bridged to electrode, after casting and evaporating the solution on the electrode surface. By applying in situ conductive atomic force microscopy and Raman spectra, it is confirmed that the GO sheets doped with RS of SiWLi/Li 2 SO 4 can be bridged and electrically reduced as an extended electrode-electrolyte interface. As a result, the RS-coated GO sheets bridged to LiTi 2 (PO 4 ) 3 //LiMn 2 O 4 battery electrodes are found to deliver extra energy capacity (∼30 mAh/g) with excellent electrochemical cycling stability, which successfully extends the battery life by over 50%.

A Parallel Biological Optimization Algorithm to Solve the Unbalanced Assignment Problem Based on DNA Molecular Computing.

PubMed

Wang, Zhaocai; Pu, Jun; Cao, Liling; Tan, Jian

2015-10-23

The unbalanced assignment problem (UAP) is to optimally resolve the problem of assigning n jobs to m individuals (m < n), such that minimum cost or maximum profit obtained. It is a vitally important Non-deterministic Polynomial (NP) complete problem in operation management and applied mathematics, having numerous real life applications. In this paper, we present a new parallel DNA algorithm for solving the unbalanced assignment problem using DNA molecular operations. We reasonably design flexible-length DNA strands representing different jobs and individuals, take appropriate steps, and get the solutions of the UAP in the proper length range and O(mn) time. We extend the application of DNA molecular operations and simultaneity to simplify the complexity of the computation.

Developing effective assignment feedback for an interprofessional learning module-An action research project.

PubMed

Strudwick, Ruth; Day, Jane

2015-09-01

The first year interprofessional learning module at University Campus Suffolk (UCS) is delivered to 300 students and the students' assignments are marked by 20 members of staff from different health and social care professions. We were keen to find a way to reduce any inconsistencies and work with both staff and students to ensure that the essay and subsequent feedback were useful for all involved. The aims of the project were to evaluate the current marking process and feedback sheets used for year one inter-professional learning (IPL) marking, and to develop an appropriate marking tool and feedback sheet that would enable markers to provide more consistent feedback to the students. Participatory action research was used with both students and staff members being involved. Focus group and questions were used to ascertain views about the assignment feedback. The feedback from this action learning project helped us to enhance the feedback for students. There was also an increase in engagement with the assessment and feedback process amongst both staff and students. Copyright © 2015 Elsevier Ltd. All rights reserved.

Multifrequency Pulsed EPR Studies of Biologically Relevant Manganese(II) Complexes

PubMed Central

Stich, T. A.; Lahiri, S.; Yeagle, G.; Dicus, M.; Brynda, M.; Gunn, A.; Aznar, C.; DeRose, V. J.; Britt, R. D.

2011-01-01

Electron paramagnetic resonance studies at multiple frequencies (MF EPR) can provide detailed electronic structure descriptions of unpaired electrons in organic radicals, inorganic complexes, and metalloenzymes. Analysis of these properties aids in the assignment of the chemical environment surrounding the paramagnet and provides mechanistic insight into the chemical reactions in which these systems take part. Herein, we present results from pulsed EPR studies performed at three different frequencies (9, 31, and 130 GHz) on [Mn(II)(H2O)6]2+, Mn(II) adducts with the nucleotides ATP and GMP, and the Mn(II)-bound form of the hammerhead ribozyme (MnHH). Through line shape analysis and interpretation of the zero-field splitting values derived from successful simulations of the corresponding continuous-wave and field-swept echo-detected spectra, these data are used to exemplify the ability of the MF EPR approach in distinguishing the nature of the first ligand sphere. A survey of recent results from pulsed EPR, as well as pulsed electron-nuclear double resonance and electron spin echo envelope modulation spectroscopic studies applied to Mn(II)-dependent systems, is also presented. PMID:22190766

Fully Converting Graphite into Graphene Oxide Hydrogels by Preoxidation with Impure Manganese Dioxide.

PubMed

Sun, Jiaojiao; Yang, Ningxin; Sun, Zhe; Zeng, Mengqi; Fu, Lei; Hu, Chengguo; Hu, Shengshui

2015-09-30

Potassium permanganate (KMnO4) has been proved to be an efficient oxidant for converting graphite into graphite oxide, but its slow diffusion in the interlayer of graphite seriously restricts the production of graphene oxide (GO). Here, we demonstrate that the preoxidation of graphite by impure manganese dioxide (MnO2) in a mixture of concentrated sulfuric acid (H2SO4) and phosphorus pentoxide (P2O5) can efficiently improve the synthesis of GO when KMnO4 is employed as the oxidant. The prepared honey-like GO hydrogels possess a high yield of single-layer sheets, large sizes (average lateral size up to 20 μm), wide ranges of stable dispersion concentrations (from dilute solutions, viscous hydrogels, to dry films), and good conductivity after reduction (~2.9 × 10(4) S/m). The mechanism for the improved synthesis of GO by impure MnO2 was explored. The enhanced exfoliation and oxidation of graphite by oxidative Mn ions (mainly Mn(3+)), which are synergistically produced by the reaction of impure MnO2 with H2SO4 and P2O5, are found to be responsible for the improved synthesis of such GO hydrogels. Particularly, preoxidized graphite (POG) can be partially dispersed in water with sonication, which allows the facile construction of flexible and highly conductive graphene nanosheet film electrodes with excellent electrochemical sensing properties.

Liquid-Solid Interaction in Al-Si/Al-Mn-Cu-Mg Brazing Sheets and Its Effects on Mechanical Properties

NASA Astrophysics Data System (ADS)

Jin, H.; Kozdras, M. S.; Amirkhiz, B. Shalchi; Winkler, S. L.

2018-05-01

The liquid-solid interaction during brazing at 592 °C to 605 °C and its effects on mechanical properties were investigated in a series of Al-Si/Al-Mn-Cu-Mg brazing sheets with different Mg contents. Depending on the Mg level in core alloy and the brazing temperature, critical changes of local chemistry and microstructure related to the liquid-solid interaction occur, including solid-state diffusion, uniform clad-core interface migration, and grain boundary penetration (GBP). When the Mg in core alloy is below 1 wt pct, the interaction is limited and the formation of a dense precipitation band due to solid-state diffusion of Si from the clad to the core is dominant. As the Mg exceeds 1 wt pct, very extensive interaction occurs resulting in clad-core interface migration and GBP of Si into the core, both involving local melting and re-solidification of the core alloy. Whenever Si from the clad encounters Mg in the core due to the interaction, Mg2Si precipitates are formed leading to significant improvement of strength. However, the interface migration and GBP drastically reduce the ductility, due to the segregation of coarse secondary phase particles along the newly formed grain boundaries.

Liquid-Solid Interaction in Al-Si/Al-Mn-Cu-Mg Brazing Sheets and Its Effects on Mechanical Properties

NASA Astrophysics Data System (ADS)

Jin, H.; Kozdras, M. S.; Amirkhiz, B. Shalchi; Winkler, S. L.

2018-07-01

The liquid-solid interaction during brazing at 592 °C to 605 °C and its effects on mechanical properties were investigated in a series of Al-Si/Al-Mn-Cu-Mg brazing sheets with different Mg contents. Depending on the Mg level in core alloy and the brazing temperature, critical changes of local chemistry and microstructure related to the liquid-solid interaction occur, including solid-state diffusion, uniform clad-core interface migration, and grain boundary penetration (GBP). When the Mg in core alloy is below 1 wt pct, the interaction is limited and the formation of a dense precipitation band due to solid-state diffusion of Si from the clad to the core is dominant. As the Mg exceeds 1 wt pct, very extensive interaction occurs resulting in clad-core interface migration and GBP of Si into the core, both involving local melting and re-solidification of the core alloy. Whenever Si from the clad encounters Mg in the core due to the interaction, Mg2Si precipitates are formed leading to significant improvement of strength. However, the interface migration and GBP drastically reduce the ductility, due to the segregation of coarse secondary phase particles along the newly formed grain boundaries.

Graphene-patched CNT/MnO2 nanocomposite papers for the electrode of high-performance flexible asymmetric supercapacitors.

PubMed

Jin, Yu; Chen, Hongyuan; Chen, Minghai; Liu, Ning; Li, Qingwen

2013-04-24

MnO2 has been widely studied as the pseudo-capactive electrode material of high-performance supercapacitors for its large operating voltage, low cost, and environmental friendliness. However, it suffers from low conductivity and being hardly handle as the electrodes of supercapacitors especially with flexibility, which largely limit its electrochemical performance and application. Herein, we report a novel ternary composite paper composed of reduced graphene sheet (GR)-patched carbon nanotube (CNT)/MnO2, which has controllable structures and prominent electrochemical properties for a flexible electrode of the supercapacitor. The composite paper was prepared by electrochemical deposition of MnO2 on a flexible CNT paper and further adsorption of GR on its surface to enhance the surface conductivity of the electrode and prohibit MnO2 nanospheres from detaching with the electrode. The presence of GR was found remarkably effective in enhancing the initial electrochemical capacitance of the composite paper from 280 F/g to 486.6 F/g. Furthermore, it ensures the stability of the capacitance after a long period of charge/discharge cycles. A flexible CNT/polyaniline/CNT/MnO2/GR asymmetric supercapacitor was assembled with this composite paper as an electrode and aqueous electrolyte gel as the separator. Its operating voltage reached 1.6 V, with an energy density at 24.8 Wh/kg. Such a composite structure derived from a multiscale assembly can offer not only a robust scaffold loading MnO2 nanospheres but also a conductive network for efficient ionic and electronic transport; thus, it is potentially promising as a novel electrode architecture for high-performance flexible energy storage devices.

Modeling and FE Simulation of Quenchable High Strength Steels Sheet Metal Hot Forming Process

NASA Astrophysics Data System (ADS)

Liu, Hongsheng; Bao, Jun; Xing, Zhongwen; Zhang, Dejin; Song, Baoyu; Lei, Chengxi

2011-08-01

High strength steel (HSS) sheet metal hot forming process is investigated by means of numerical simulations. With regard to a reliable numerical process design, the knowledge of the thermal and thermo-mechanical properties is essential. In this article, tensile tests are performed to examine the flow stress of the material HSS 22MnB5 at different strains, strain rates, and temperatures. Constitutive model based on phenomenological approach is developed to describe the thermo-mechanical properties of the material 22MnB5 by fitting the experimental data. A 2D coupled thermo-mechanical finite element (FE) model is developed to simulate the HSS sheet metal hot forming process for U-channel part. The ABAQUS/explicit model is used conduct the hot forming stage simulations, and ABAQUS/implicit model is used for accurately predicting the springback which happens at the end of hot forming stage. Material modeling and FE numerical simulations are carried out to investigate the effect of the processing parameters on the hot forming process. The processing parameters have significant influence on the microstructure of U-channel part. The springback after hot forming stage is the main factor impairing the shape precision of hot-formed part. The mechanism of springback is advanced and verified through numerical simulations and tensile loading-unloading tests. Creep strain is found in the tensile loading-unloading test under isothermal condition and has a distinct effect on springback. According to the numerical and experimental results, it can be concluded that springback is mainly caused by different cooling rats and the nonhomogengeous shrink of material during hot forming process, the creep strain is the main factor influencing the amount of the springback.

EPR and optical investigation of Mn2+ doped L-histidine-4-nitrophenolate 4-nitrophenol single crystal

NASA Astrophysics Data System (ADS)

Prabakaran, R.; Subramanian, P.

2018-04-01

Single crystals of L-histidine-4-nitrophenolate 4-nitrophenol[LHFNP] complex doped with Mn2+ were grown by the slow evaporation method at room temperature. The EPR spectrum reveals the entry of one Mn2+ ion in the lattice. The angular variation plot was drawn between the angles and the magnetic field position. The spin Hamiltonian parameters were obtained by EPR-NMR program. The D and E values show the rhombic field around the ion and is an interstitial one. The g value obtained here suggests that the Mn2+ ion experiences a strong field and there is a transfer of electron from the metal ion to the ligand atom. The optical absorption study shows various bands and are assigned to the transition from the ground state 6A1g(S). The Racah and crystal field parameters have also been evaluated and fitted to the experimental values. The Racah parameter shows the covalent bonding between the metal ion to the ligand.

(Sr{sub 1-x}Na{sub x})(Cd{sub 1-x}Mn{sub x}){sub 2}As{sub 2}: A new charge and spin doping decoupled diluted magnetic semiconductors with CaAl{sub 2}Si{sub 2}-type structure

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

Chen, Bijuan; Deng, Zheng; Li, Wenmin

2016-08-28

We report the synthesis and characterization of a new bulk diluted ferromagnetic semiconductor via Na and Mn co-doping in SrCd{sub 2}As{sub 2} with a hexagonal CaAl{sub 2}Si{sub 2}-type structure. Together with carrier doping via (Sr,Na) substitution, spin doping via (Cd,Mn) substitution results in ferromagnetic order with Curie temperature of T{sub C} up to 13 K. Negative magnetoresistance is assigned to weak localization at low temperatures, where the magnetization of samples becomes saturated. The hexagonal structure of (Sr{sub 1−x}Na{sub x})(Cd{sub 1−x}Mn{sub x}){sub 2}As{sub 2} can be acted as a promising candidate for spin manipulations owing to its relatively small coercive field ofmore » less than 24 Oe.« less

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

Li, Yue Ru; Poyraz, Altug S.; Hu, Xiaobing

Birnessite type layered manganese dioxides (δ-MnO 2) have attracted considerable attention in recent years as 2D intercalation cathodes for rechargeable Li +, Na +, and Mg 2+ batteries due to fast ion diffusion through their negatively charged δ-MnO 2 sheets separated by interlayer cations and a stable Mn 3+/4+ redox couple. Here we report the preparation and electrochemistry of zero and divalent copper co-intercalated birnessite type manganese dioxide (Cu 0 0.03Cu 2+ 0.21Na 0.12MnO 2·0.9H 2O). The copper intercalated birnessite materials were fully characterized utilizing powder X-ray diffraction (XRD), inductively coupled plasma optical emission spectroscopy (ICP-OES), transmission electron microscopy (TEM).more » The mixed valent nature of intercalated Cu 0 and Cu 2+ was confirmed by X-ray photoelectron spectroscopy (XPS) and electron energy loss spectroscopy (EELS). Electrochemical evaluation results show that zero valent copper intercalated birnessite exhibits higher discharge capability, improved cyclability, and lower impedance compared to the Cu 2+ only intercalated (Cu 0.26MnO 2·1.0H 2O) and Cu free Na birnessite (Na 0.40MnO 2·1.0H 2O) materials. Remarkably, zero valent copper birnessite shows almost no fade after 10 cycles at 0.1 mV/s. Electrochemical impedance spectroscopy results suggest that charge transfer resistivity of Cu 0 modified samples was much lower than that of Cu 2+ and Cu free birnessite, indicating that the presence of a small amount of Cu 0 improves the conductivity of birnessite and results in better electrochemical cyclability, rate capability, and lower impedance.« less

Reduction Kinetics of Wüstite Scale on Pure Iron and Steel Sheets in Ar and H2 Gas Mixture

NASA Astrophysics Data System (ADS)

Mao, Weichen; Sloof, Willem G.

2017-10-01

A dense and closed Wüstite scale is formed on pure iron and Mn alloyed steel after oxidation in Ar + 33 vol pct CO2 + 17 vol pct CO gas mixture. Reducing the Wüstite scale in Ar + H2 gas mixture forms a dense and uniform iron layer on top of the remaining Wüstite scale, which separates the unreduced scale from the gas mixture. The reduction of Wüstite is controlled by the bulk diffusion of dissolved oxygen in the formed iron layer and follows parabolic growth rate law. The reduction kinetics of Wüstite formed on pure iron and on Mn alloyed steel are the same. The parabolic rate constant of Wüstite reduction obeys an Arrhenius relation with an activation energy of 104 kJ/mol if the formed iron layer is in the ferrite phase. However, at 1223 K (950 °C) the parabolic rate constant of Wüstite reduction drops due to the phase transformation of the iron layer from ferrite to austenite. The effect of oxygen partial pressure on the parabolic rate constant of Wüstite reduction is negligible when reducing in a gas mixture with a dew point below 283 K (10 °C). During oxidation of the Mn alloyed steel, Mn is dissolved in the Wüstite scale. Subsequently, during reduction of the Wüstite layer, Mn diffuses into the unreduced Wüstite. Ultimately, an oxide-free iron layer is obtained at the surface of the Mn alloyed steel, which is beneficial for coating application.

EPR, optical and superposition model study of Mn2+ doped L+ glutamic acid

NASA Astrophysics Data System (ADS)

Kripal, Ram; Singh, Manju

2015-12-01

Electron paramagnetic resonance (EPR) study of Mn2+ doped L+ glutamic acid single crystal is done at room temperature. Four interstitial sites are observed and the spin Hamiltonian parameters are calculated with the help of large number of resonant lines for various angular positions of external magnetic field. The optical absorption study is also done at room temperature. The energy values for different orbital levels are calculated, and observed bands are assigned as transitions from 6A1g(s) ground state to various excited states. With the help of these assigned bands, Racah inter-electronic repulsion parameters B = 869 cm-1, C = 2080 cm-1 and cubic crystal field splitting parameter Dq = 730 cm-1 are calculated. Zero field splitting (ZFS) parameters D and E are calculated by the perturbation formulae and crystal field parameters obtained using superposition model. The calculated values of ZFS parameters are in good agreement with the experimental values obtained by EPR.

A Parallel Biological Optimization Algorithm to Solve the Unbalanced Assignment Problem Based on DNA Molecular Computing

PubMed Central

Wang, Zhaocai; Pu, Jun; Cao, Liling; Tan, Jian

2015-01-01

The unbalanced assignment problem (UAP) is to optimally resolve the problem of assigning n jobs to m individuals (m < n), such that minimum cost or maximum profit obtained. It is a vitally important Non-deterministic Polynomial (NP) complete problem in operation management and applied mathematics, having numerous real life applications. In this paper, we present a new parallel DNA algorithm for solving the unbalanced assignment problem using DNA molecular operations. We reasonably design flexible-length DNA strands representing different jobs and individuals, take appropriate steps, and get the solutions of the UAP in the proper length range and O(mn) time. We extend the application of DNA molecular operations and simultaneity to simplify the complexity of the computation. PMID:26512650

Laser photoelectron spectroscopy of MnH - and FeH - : Electronic structures of the metal hydrides, identification of a low-spin excited state of MnH, and evidence for a low-spin ground state of FeH

NASA Astrophysics Data System (ADS)

Stevens, Amy E.; Feigerle, C. S.; Lineberger, W. C.

1983-05-01

The laser photoelectron spectra of MnH- and MnD-, and FeH- and FeD- are reported. A qualitative description of the electronic structure of the low-spin and high-spin states of the metal hydrides is developed, and used to interpret the spectra. A diagonal transition in the photodetachment to the known high-spin, 7Σ+, ground state of MnH is observed. An intense off-diagonal transition to a state of MnH, at 1725±50 cm-1 excitation energy, is attributed to loss of an antibonding electron from MnH-, to yield a low-spin quintet state of MnH. For FeH- the photodetachment to the ground state is an off-diagonal transition, attributed to loss of the antibonding electron from FeH-, to yield a low-spin quartet ground state of FeH. A diagonal transition results in an FeH state at 1945±55 cm-1; this state of FeH is assigned as the lowest-lying high-spin sextet state of FeH. An additional excited state of MnH and two other excited states of FeH are observed. Excitation energies for all the states are reported; vibrational frequencies and bond lengths for the ions and several states of the neutrals are also determined from the spectra. The electron affinity of MnH is found to be 0.869±0.010 eV; and the electron affinity of FeH is determined to be 0.934±0.011 eV. Spectroscopic constants for the various deuterides are also reported.

Objective, Structured Proforma to Score the Merit of Scientific Presentations.

PubMed

Agarwal, Nayan; Thawani, Rajat; Gupta, Setu; Sharma, Arun; Dhaliwal, Upreet

2015-12-01

Around 100,000 medical conferences are organized all over the world and hence, they form an integral part of a medical professional's life. Oral presentations, especially award sessions, are judged by a panel of faculty judges who score individual presentations on various aspects including content, delivery and submission. Our objective was to compare the scores given by student-judges and faculty-judges for scientific presentations using the standardized score sheet. An objective, structured score-sheet was designed using existing literature. Five presentations, all made using PowerPoint, were judged using the structured score-sheet by seven student-judges and two-faculty judges. The mean score of all the score-sheets (n = 45) was 38.5 + 5.4 (out of a maximum score of 50). There was no statistical difference between mean scores assigned by students or faculty (p = 0.2). Thus, an objective, structured score sheet like ours, when used to judge scientific presentations, gave uniform results even when judges hailed from different levels of the medical hierarchy.

Synthesis of mesoporous Mn/TiO2 nanocomposites and investigating the photocatalytic properties in aqueous systems.

PubMed

Oseghe, Ekemena Oghenovoh; Ndungu, Patrick Gathura; Jonnalagadda, Sreekanth Babu

2015-01-01

Mesoporous 20 wt% Mn/TiO2 nanocomposites were synthesized adopting modified sol-gel method at different pH (pH = 2, 7 and 11) conditions and calcined at 400 °C. Based on the characteristics of the 20 wt% Mn/TiO2 nanocomposites synthesized at pH 11, same procedure was adopted for the synthesis of different wt% Mn/TiO2. The nanocomposite samples and their surface properties were characterized by X-ray powder diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), high resolution transmission electron microscopy (HRTEM), mapping, inductively coupled plasma optical emission spectrometry (ICP-OES), Fourier transform infrared (FTIR), and fluorescence spectrometry. The nanocomposites existed in the anatase phase of TiO2 with no peak assigned to Mn on the diffractogram. The photocatalytic activities of the materials were evaluated by monitoring degradation of a model dye (methylene blue (MB)) in presence of visible light and ozone. The nanocomposite synthesized under neutral condition (pH = 7) exhibited the best photocatalytic activity resulting from its relatively smaller crystal size (5.98 nm) and larger pore volume (0.30 cm(3)/g). One percentage of weight Mn/TiO2 showed 100% decolouration of MB in the presence of O3 after 100 min.

Fast Timing Study of the β- Decay of 63Mn to 63Fe

NASA Astrophysics Data System (ADS)

Olaizola, B.; Fraile, L. M.; Mach, H.; Briz, J. A.; Cal-González, J.; Ghita, D.; Köster, U.; Kurcewicz, W.; Lesher, S. R.; Pauwels, D.; Picado, E.; Poves, A.; Radulov, D.; Simpson, G. S.; Udias, J. M.

The β- decay of 63Mn to 63Fe has been studied in an experiment at ISOLDE, CERN. The previously known 63Fe level scheme has been confirmed and greatly expanded, to a total of 31 levels and 73 γ lines. The energy of the 9/2+ isomer state has been measured for the first time at 475.0 keV, completing the systematics of such states in odd-Fe isotopes below 68Ni. In addition, the lifetimes of the low-lying states have been measured, allowing the tentative assignment of the spin-parity sequence for those levels.

COMMENT: Comment on 'Particle size dependent exchange bias and cluster-glass states in LaMn0.7Fe0.3O3 '

NASA Astrophysics Data System (ADS)

Geshev, J.

2009-02-01

Thakur et al (2008 J. Phys.: Condens. Matter 20 195215) have recently reported magnetization hysteresis loops shifted along the field axis of the cluster-glass compound LaMn0.7Fe0.3O3, attributed there to exchange bias induced at ferromagnetic/spin-glass-like interfaces. The present comment affirms that their results are insufficient for assigning the phenomenon solely to exchange bias since the corresponding field shift, if any, cannot be separated from that of a minor hysteresis loop of a ferromagnet, naturally displaced from the origin.

3D 14N/1H Double Quantum/1H Single Quantum Correlation Solid-State NMR for Probing Parallel and Anti-Parallel Beta-Sheet Arrangement of Oligo-Peptides at Natural Abundance.

PubMed

Hong, You-Lee; Asakura, Tetsuo; Nishiyama, Yusuke

2018-05-08

β-sheet structure of oligo- and poly-peptides can be formed in anti-parallel (AP)- and parallel (P)-structure, which is the important feature to understand the structures. In principle, P- and AP-β-sheet structures can be identified by the presence (AP) and absence (P) of the interstrand 1HNH/1HNH correlations on a diagonal in 2D 1H double quantum (DQ)/1H single quantum (SQ) spectrum due to the different interstrand 1HNH/1HNH distances between these two arrangements. However, the 1HNH/1HNH peaks overlap to the 1HNH3+/1HNH3+ peaks, which always give cross peaks regardless of the β-sheet arrangement. The 1HNH3+/1HNH3+ peaks disturb the observation of the presence/absence of 1HNH/1HNH correlations and the assignment of 1HNH and 1HNH3+ is not always available. Here, 3D 14N/1H DQ/1H SQ correlation solid-state NMR experiments at fast magic angle spinning (70 kHz) are introduced to distinguish AP and P β-sheet structure. The 14N dimension allows the separate observation of 1HNH/1HNH peaks from 1HNH3+/1HNH3+ peaks with clear assignment of 1HNH and 1HNH3+. In addition, the high natural abundance of 1H and 14N enables 3D 14N/1H DQ/1H SQ experiments of oligo-alanines (Ala3-6) in four hours without any isotope labelling. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Optimization of chemical compositions in low-carbon Al-killed enamel steel produced by ultra-fast continuous annealing

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

Dong, Futao, E-mail: dongft@sina.com; Du, Linxiu; Liu, Xianghua

2013-10-15

The influence of Mn,S and B contents on microstructural characteristics, mechanical properties and hydrogen trapping ability of low-carbon Al-killed enamel steel was investigated. The materials were produced and processed in a laboratory and the ultra-fast continuous annealing processing was performed using a continuous annealing simulator. It was found that increasing Mn,S contents in steel can improve its hydrogen trapping ability which is attributed by refined ferrite grains, more dispersed cementite and added MnS inclusions. Nevertheless, it deteriorates mechanical properties of steel sheet. Addition of trace boron results in both good mechanical properties and significantly improved hydrogen trapping ability. The boronmore » combined with nitrogen segregating at grain boundaries, cementite and MnS inclusions, provides higher amount of attractive hydrogen trapping sites and raises the activation energy for hydrogen desorption from them. - Highlights: • We study microstructures and properties in low-carbon Al-killed enamel steel. • Hydrogen diffusion coefficients are measured to reflect fish-scale resistance. • Manganese improves hydrogen trapping ability but decrease deep-drawing ability. • Boron improves both hydrogen trapping ability and deep-drawing ability. • Both excellent mechanical properties and fish-scale resistance can be matched.« less

Electric-field assisted switching of magnetization in perpendicularly magnetized (Ga,Mn)As films at high temperatures

NASA Astrophysics Data System (ADS)

Wang, Hailong; Ma, Jialin; Yu, Xueze; Yu, Zhifeng; Zhao, Jianhua

2017-01-01

The electric-field effects on the magnetism in perpendicularly magnetized (Ga,Mn)As films at high temperatures have been investigated. An electric-field as high as 0.6 V nm-1 is applied by utilizing a solid-state dielectric Al2O3 film as a gate insulator. The coercive field, saturation magnetization and magnetic anisotropy have been clearly changed by the gate electric-field, which are detected via the anomalous Hall effect. In terms of the Curie temperature, a variation of about 3 K is observed as determined by the temperature derivative of the sheet resistance. In addition, electrical switching of the magnetization assisted by a fixed external magnetic field at 120 K is demonstrated, employing the gate-controlled coercive field. The above experimental results have been attributed to the gate voltage modulation of the hole density in (Ga,Mn)As films, since the ferromagnetism in (Ga,Mn)As is carrier-mediated. The limited modulation magnitude of magnetism is found to result from the strong charge screening effect introduced by the high hole concentration up to 1.10  ×  1021 cm-3, while the variation of the hole density is only about 1.16  ×  1020 cm-3.

Preparation and properties of a monomeric high-spin Mn(V)-oxo complex.

PubMed

Taguchi, Taketo; Gupta, Rupal; Lassalle-Kaiser, Benedikt; Boyce, David W; Yachandra, Vittal K; Tolman, William B; Yano, Junko; Hendrich, Michael P; Borovik, A S

2012-02-01

Oxomanganese(V) species have been implicated in a variety of biological and synthetic processes, including their role as a key reactive center within the oxygen-evolving complex in photosynthesis. Nearly all mononuclear Mn(V)-oxo complexes have tetragonal symmetry, producing low-spin species. A new high-spin Mn(V)-oxo complex that was prepared from a well-characterized oxomanganese(III) complex having trigonal symmetry is now reported. Oxidation experiments with [FeCp(2)](+) were monitored with optical and electron paramagnetic resonance (EPR) spectroscopies and support a high-spin oxomanganese(V) complex formulation. The parallel-mode EPR spectrum has a distinctive S = 1 signal at g = 4.01 with a six-line hyperfine pattern having A(z) = 113 MHz. The presence of an oxo ligand was supported by resonance Raman spectroscopy, which revealed O-isotope-sensitive peaks at 737 and 754 cm(-1) assigned as a Fermi doublet centered at 746 cm(-1)(Δ(18)O = 31 cm(-1)). Mn Kβ X-ray emission spectra showed Kβ' and Kβ(1,3) bands at 6475.92 and 6490.50 eV, respectively, which are characteristic of a high-spin Mn(V) center. © 2012 American Chemical Society

College Algebra I.

ERIC Educational Resources Information Center

Benjamin, Carl; And Others

Presented are student performance objectives, a student progress chart, and assignment sheets with objective and diagnostic measures for the stated performance objectives in College Algebra I. Topics covered include: sets; vocabulary; linear equations; inequalities; real numbers; operations; factoring; fractions; formulas; ratio, proportion, and…

High-energy MnO2 nanowire/graphene and graphene asymmetric electrochemical capacitors.

PubMed

Wu, Zhong-Shuai; Ren, Wencai; Wang, Da-Wei; Li, Feng; Liu, Bilu; Cheng, Hui-Ming

2010-10-26

In order to achieve high energy and power densities, we developed a high-voltage asymmetric electrochemical capacitor (EC) based on graphene as negative electrode and a MnO(2) nanowire/graphene composite (MGC) as positive electrode in a neutral aqueous Na(2)SO(4) solution as electrolyte. MGC was prepared by solution-phase assembly of graphene sheets and α-MnO(2) nanowires. Such aqueous electrolyte-based asymmetric ECs can be cycled reversibly in the high-voltage region of 0-2.0 V and exhibit a superior energy density of 30.4 Wh kg(-1), which is much higher than those of symmetric ECs based on graphene//graphene (2.8 Wh kg(-1)) and MGC//MGC (5.2 Wh kg(-1)). Moreover, they present a high power density (5000 W kg(-1) at 7.0 Wh kg(-1)) and acceptable cycling performance of ∼79% retention after 1000 cycles. These findings open up the possibility of graphene-based composites for applications in safe aqueous electrolyte-based high-voltage asymmetric ECs with high energy and power densities.

Orbital Picture of Yu-Shiba-Rusinov Multiplets

NASA Astrophysics Data System (ADS)

Heinrich, Benjamin W.; Ruby, Michael; Franke, Katharina J.; Peng, Yang; von Oppen, Felix

Magnetic impurities on an s-wave superconductor induce Yu-Shiba-Rusinov (YSR) bound states within the excitation gap of the superconductor. Here, we investigate single manganese (Mn) atoms adsorbed on different surface orientations of superconducting lead (Pb) and the nature of their YSR states. Depending on the adsorption site and surface, we detect a distinct number and characteristic patterns of YSR states around the Mn atoms. We show that the YSR states inherit their properties from the Mn d levels, which are split by the surrounding crystal field. The periodicity of the long-range YSR oscillations allows us to identify a dominant coupling of the d states to the outer Fermi sheet of the two-band superconductor Pb. The long-range and directional nature of the states are promising for the design of coupled adatom structures, which could bear topological phases. We acknowledge funding by the Deutsche Forschungsgemeinschaft through Grant No. FR2726/4 and through collaborative research Grants No. Sfb 658, No. CRC 183, and No. SPP 1666, as well as by the European Research Council through Consolidator Grant NanoSpin.

Low-cost flexible supercapacitors with high-energy density based on nanostructured MnO2 and Fe2O3 thin films directly fabricated onto stainless steel.

PubMed

Gund, Girish S; Dubal, Deepak P; Chodankar, Nilesh R; Cho, Jun Y; Gomez-Romero, Pedro; Park, Chan; Lokhande, Chandrakant D

2015-07-24

The facile and economical electrochemical and successive ionic layer adsorption and reaction (SILAR) methods have been employed in order to prepare manganese oxide (MnO2) and iron oxide (Fe2O3) thin films, respectively with the fine optimized nanostructures on highly flexible stainless steel sheet. The symmetric and asymmetric flexible-solid-state supercapacitors (FSS-SCs) of nanostructured (nanosheets for MnO2 and nanoparticles for Fe2O3) electrodes with Na2SO4/Carboxymethyl cellulose (CMC) gel as a separator and electrolyte were assembled. MnO2 as positive and negative electrodes were used to fabricate symmetric SC, while the asymmetric SC was assembled by employing MnO2 as positive and Fe2O3 as negative electrode. Furthermore, the electrochemical features of symmetric and asymmetric SCs are systematically investigated. The results verify that the fabricated symmetric and asymmetric FSS-SCs present excellent reversibility (within the voltage window of 0-1 V and 0-2 V, respectively) and good cycling stability (83 and 91%, respectively for 3000 of CV cycles). Additionally, the asymmetric SC shows maximum specific capacitance of 92 Fg(-1), about 2-fold of higher energy density (41.8 Wh kg(-1)) than symmetric SC and excellent mechanical flexibility. Furthermore, the "real-life" demonstration of fabricated SCs to the panel of SUK confirms that asymmetric SC has 2-fold higher energy density compare to symmetric SC.

Vibrational spectroscopic characterization of the phosphate mineral ludlamite (Fe,Mn,Mg)₃(PO₄)₂⋅4H₂O - a mineral found in lithium bearing pegmatites.

PubMed

Frost, Ray L; Xi, Yunfei; Scholz, Ricardo; Belotti, Fernanda M

2013-02-15

The objective of this work is to analyze ludlamite (Fe,Mn,Mg)(3)(PO(4))(2)⋅4H(2)O from Boa Vista mine, Galiléia, Brazil and to assess the molecular structure of the mineral. The phosphate mineral ludlamite has been characterized by EMP-WDS, Raman and infrared spectroscopic measurements. The mineral is shown to be a ferrous phosphate with some minor substitution of Mg and Mn. Raman bands at 917 and 950 cm(-1) are assigned to the symmetric stretching mode of HOPO(3)(2-) and PO(4)(3-) units. Raman bands at 548, 564, 599 and 634 cm(-1) are assigned to the ν(4)PO(4)(3-) bending modes. Raman bands at 2605, 2730, 2896 and 3190 cm(-1) and infrared bands at 2623, 2838, 3136 and 3185 cm(-1) are attributed to water stretching vibrations. By using a Libowitzky empirical function, hydrogen bond distances are calculated from the OH stretching wavenumbers. Strong hydrogen bonds in the structure of ludlamite are observed as determined by their hydrogen bond distances. The application of infrared and Raman spectroscopy to the study of ludlamite enables the molecular structure of the pegmatite mineral ludlamite to be assessed. Copyright © 2012 Elsevier B.V. All rights reserved.

Metal oxidation states in biological water splitting† †Electronic supplementary information (ESI) available: Additional methodological details and discussion, Tables S1–S10, Fig. S1–S16, spin populations, parameters of optimized structures, experimental details and analysis of 55Mn ENDOR at 2.5 K, analysis of calculated Mn K pre-edge XAS, discussion of reduced S states. See DOI: 10.1039/c4sc03720k Click here for additional data file.

PubMed Central

Krewald, Vera; Retegan, Marius; Cox, Nicholas; Messinger, Johannes; Lubitz, Wolfgang; DeBeer, Serena; Neese, Frank

2015-01-01

A central question in biological water splitting concerns the oxidation states of the manganese ions that comprise the oxygen-evolving complex of photosystem II. Understanding the nature and order of oxidation events that occur during the catalytic cycle of five Si states (i = 0–4) is of fundamental importance both for the natural system and for artificial water oxidation catalysts. Despite the widespread adoption of the so-called “high-valent scheme”—where, for example, the Mn oxidation states in the S2 state are assigned as III, IV, IV, IV—the competing “low-valent scheme” that differs by a total of two metal unpaired electrons (i.e. III, III, III, IV in the S2 state) is favored by several recent studies for the biological catalyst. The question of the correct oxidation state assignment is addressed here by a detailed computational comparison of the two schemes using a common structural platform and theoretical approach. Models based on crystallographic constraints were constructed for all conceivable oxidation state assignments in the four (semi)stable S states of the oxygen evolving complex, sampling various protonation levels and patterns to ensure comprehensive coverage. The models are evaluated with respect to their geometric, energetic, electronic, and spectroscopic properties against available experimental EXAFS, XFEL-XRD, EPR, ENDOR and Mn K pre-edge XANES data. New 2.5 K 55Mn ENDOR data of the S2 state are also reported. Our results conclusively show that the entire S state phenomenology can only be accommodated within the high-valent scheme by adopting a single motif and protonation pattern that progresses smoothly from S0 (III, III, III, IV) to S3 (IV, IV, IV, IV), satisfying all experimental constraints and reproducing all observables. By contrast, it was impossible to construct a consistent cycle based on the low-valent scheme for all S states. Instead, the low-valent models developed here may provide new insight into the over-reduced S states and the states involved in the assembly of the catalytically active water oxidizing cluster. PMID:29308133

Physical properties of antiferromagnetic Mn doped ZnO samples: Role of impurity phase

NASA Astrophysics Data System (ADS)

Neogi, S. K.; Karmakar, R.; Misra, A. K.; Banerjee, A.; Das, D.; Bandyopadhyay, S.

2013-11-01

Structural, morphological, optical, and magnetic properties of nanocrystalline Zn1-xMnxO samples (x=0.01, 0.02, 0.04, 0.06, 0.08 and 0.10) prepared by the sol-gel route are studied by X-ray diffraction (XRD), Scanning electron microscopy (SEM), UV-visible absorption spectroscopy, Superconducting quantum interference device (SQUID) magnetometry and positron annihilation lifetime spectroscopy (PALS). XRD confirms formation of wurzite structure in all the Mn-substituted samples. A systematic increase in lattice constants and decrease in grain size have been observed with increase in manganese doping concentration up to 6 at% in the ZnO structure. An impurity phase (ZnMnO3) has been detected when percentage of Mn concentration is 6 at% or higher. The optical band gap of the Mn-substituted ZnO samples decrease with increase in doping concentration of manganese whereas the width of the localized states increases. The antiferromagnetic exchange interaction is strong in the samples for 2 and 4 at% of Mn doping but it reduces when the doping level increases from 6 at% and further. Positron life time components τ1 and τ2 are found to decrease when concentration of the dopant exceeds 6 at%. The changes in magnetic properties as well as positron annihilation parameters at higher manganese concentration have been assigned as due to the formation of impurity phase. Single phase structure has been observed up to 6 at% of Mn doping. Impurity phase has been developed above 6 at% of Mn doping. Antiferromagnetic and paramagnetic interactions are present in the samples. Defect parameters show sharp fall as Mn concentration above 6 at%. The magnetic and defect properties are modified by the formation of impurity phase.

Crystal engineering in 3D: Converting nanoscale lamellar manganese oxide to cubic spinel while affixed to a carbon architecture

DOE PAGES

Donakowski, Martin D.; Wallace, Jean M.; Sassin, Megan B.; ...

2016-06-17

Here, by applying differential pair distribution function (DPDF) analyses to the energy–storage relevant MnOx/carbon system— but in a 3D architectural rather than powder–composite configuration—we can remove contributions of the carbon nanofoam paper scaffold and quantify the multiphasic oxide speciation as the nanoscale, disordered MnOx grafted to the carbon walls (MnOx@CNF) structurally rearranges in situ from birnessite AMnOx (A = Na +; Li +) to tetragonal Mn 3O 4 to spinel LiMn 2O 4. The first reaction step involves topotactic exchange of interlayer Na + by Li + in solution followed by thermal treatments to crystal engineer the –10–nm–thick 2D layeredmore » oxide throughout the macroscale nanofoam paper into a spinel phase. The oxide remains affixed to the walls of the nanofoam throughout the phase transformations. The DPDF fits are improved by retention of one plane of birnessite–like oxide after conversion to spinel. We support the DPDF–derived assignments by X–ray photoelectron spectroscopy and Raman spectroscopy, the latter of which tracks how crystal engineering the oxide affects the disorder of the carbon substrate. We further benchmark MnOx@CNF with nonaqueous electrochemical measurements versus lithium as the oxide converts from X–ray–amorphous birnessite to interlayer-registered LiMnOx to spinel. The lamellar AMnOx displays pseudocapacitive electrochemical behavior, with a doubling of specific capacitance for the interlayer–registered LiMnOx, while the spinel LiMn 2O 4@CNF displays a faradaic electrochemical response characteristic of Li–ion insertion. Our results highlight the need for holistic understanding when crystal engineering an (atomistic) charge–storing phase within the (architectural) structure of practical electrodes.« less

Superior lithium storage performance using sequentially stacked MnO2/reduced graphene oxide composite electrodes.

PubMed

Kim, Sue Jin; Yun, Young Jun; Kim, Ki Woong; Chae, Changju; Jeong, Sunho; Kang, Yongku; Choi, Si-Young; Lee, Sun Sook; Choi, Sungho

2015-04-24

Hybrid nanostructures based on graphene and metal oxides hold great potential for use in high-performance electrode materials for next-generation lithium-ion batteries. Herein, a new strategy to fabricate sequentially stacked α-MnO2 /reduced graphene oxide composites driven by surface-charge-induced mutual electrostatic interactions is proposed. The resultant composite anode exhibits an excellent reversible charge/discharge capacity as high as 1100 mA h g(-1) without any traceable capacity fading, even after 100 cycles, which leads to a high rate capability electrode performance for lithium ion batteries. Thus, the proposed synthetic procedures guarantee a synergistic effect of multidimensional nanoscale media between one (metal oxide nanowire) and two dimensions (graphene sheet) for superior energy-storage electrodes. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Building America Case Study: Cost Analysis of Roof-Only Air Sealing and Insulation Strategies on 1-1/2 Story Homes in Cold Climates, Minneapolis, MN (Fact Sheet)

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

Not Available

The External Thermal and Moisture Management System (ETMMS), typically seen in deep energy retrofits, is a valuable approach for the roof-only portions of existing homes, particularly the 1 1/2-story home. It is effective in reducing energy loss through the building envelope, improving building durability, reducing ice dams, and providing opportunities to improve occupant comfort and health.

Copper brain protein protection against free radical-induced neuronal death: Survival ratio in SH-SY5Y neuroblastoma cell cultures.

PubMed

Deloncle, Roger; Fauconneau, Bernard; Guillard, Olivier; Delaval, José; Lesage, Gérard; Pineau, Alain

2017-01-01

In Creutzfeldt Jakob, Alzheimer and Parkinson diseases, copper metalloproteins such as prion, amyloid protein precursor and α-synuclein are able to protect against free radicals by reduction from cupric Cu +2 to cupreous Cu + . In these pathologies, a regional copper (Cu) brain decrease correlated with an iron, zinc or manganese (Mn) increase has previously been observed, leading to local neuronal death and abnormal deposition of these metalloproteins in β-sheet structures. In this study we demonstrate the protective effect of Cu metalloproteins against deleterious free-radical effects. With neuroblastoma SH-SY5Y cell cultures, we show that bovine brain prion protein in Cu but not Mn form prevents free radical-induced neuronal death. The survival ratio of SH-SY5Y cells has been measured after UV irradiation (free radical production), when the incubating medium is supplemented with bovine brain homogenate in native, Cu or Mn forms. This ratio, about 28% without any addition or with bovine brain protein added in Mn form, increases by as much as 54.73% with addition to the culture medium of native bovine brain protein and by as much as 95.95% if the addition is carried out in cupric form. This protective effect of brain copper protein against free radical-induced neuronal death has been confirmed with Inductively Coupled Plasma Mass Spectrometry Mn and Cu measurement in bovine brain homogenates: respectively lower than detection limit and 9.01μg/g dry weight for native form; lower than detection limit and 825.85μg/g dry weight for Cu-supplemented form and 1.75 and 68.1μg/g dry weight in Mn-supplemented brain homogenate. Copyright © 2016 Elsevier GmbH. All rights reserved.

Zerovalent Copper Intercalated Birnessite as a Cathode for Lithium Ion Batteries: Extending Cycle Life

DOE PAGES

Li, Yue Ru; Poyraz, Altug S.; Hu, Xiaobing; ...

2017-01-01

Birnessite type layered manganese dioxides (δ-MnO 2) have attracted considerable attention in recent years as 2D intercalation cathodes for rechargeable Li +, Na +, and Mg 2+ batteries due to fast ion diffusion through their negatively charged δ-MnO 2 sheets separated by interlayer cations and a stable Mn 3+/4+ redox couple. Here we report the preparation and electrochemistry of zero and divalent copper co-intercalated birnessite type manganese dioxide (Cu 0 0.03Cu 2+ 0.21Na 0.12MnO 2·0.9H 2O). The copper intercalated birnessite materials were fully characterized utilizing powder X-ray diffraction (XRD), inductively coupled plasma optical emission spectroscopy (ICP-OES), transmission electron microscopy (TEM).more » The mixed valent nature of intercalated Cu 0 and Cu 2+ was confirmed by X-ray photoelectron spectroscopy (XPS) and electron energy loss spectroscopy (EELS). Electrochemical evaluation results show that zero valent copper intercalated birnessite exhibits higher discharge capability, improved cyclability, and lower impedance compared to the Cu 2+ only intercalated (Cu 0.26MnO 2·1.0H 2O) and Cu free Na birnessite (Na 0.40MnO 2·1.0H 2O) materials. Remarkably, zero valent copper birnessite shows almost no fade after 10 cycles at 0.1 mV/s. Electrochemical impedance spectroscopy results suggest that charge transfer resistivity of Cu 0 modified samples was much lower than that of Cu 2+ and Cu free birnessite, indicating that the presence of a small amount of Cu 0 improves the conductivity of birnessite and results in better electrochemical cyclability, rate capability, and lower impedance.« less

Phenomenological analysis of thermal hysteresis in Ni-Mn-Ga Heusler alloys

NASA Astrophysics Data System (ADS)

Zagrebin, M. A.; Sokolovskiy, V. V.; Buchelnikov, V. D.

2018-05-01

The manipulation of thermal hysteresis in Ni-Mn-Ga Heusler alloys with coupled magnetostructural phase transition is studied theoretically using the Landau theory, including magnetic, elastic and crystal lattice modulation order parameters as well as an external magnetic field. It is shown that for the assigned combination of phenomenological parameters, in the phase diagrams, the Austenite-Martensite first-order phase transition has a finite (critical) point in which the thermal hysteresis is disappeared. Moreover, this point depends on the relation between modulation and elastic constants as well as on the magnetic field. Obtained results have been compared with other theoretical end experimental data.

Physicochemical characterization, and relaxometry studies of micro-graphite oxide, graphene nanoplatelets, and nanoribbons.

PubMed

Paratala, Bhavna S; Jacobson, Barry D; Kanakia, Shruti; Francis, Leonard Deepak; Sitharaman, Balaji

2012-01-01

The chemistry of high-performance magnetic resonance imaging contrast agents remains an active area of research. In this work, we demonstrate that the potassium permanganate-based oxidative chemical procedures used to synthesize graphite oxide or graphene nanoparticles leads to the confinement (intercalation) of trace amounts of Mn(2+) ions between the graphene sheets, and that these manganese intercalated graphitic and graphene structures show disparate structural, chemical and magnetic properties, and high relaxivity (up to 2 order) and distinctly different nuclear magnetic resonance dispersion profiles compared to paramagnetic chelate compounds. The results taken together with other published reports on confinement of paramagnetic metal ions within single-walled carbon nanotubes (a rolled up graphene sheet) show that confinement (encapsulation or intercalation) of paramagnetic metal ions within graphene sheets, and not the size, shape or architecture of the graphitic carbon particles is the key determinant for increasing relaxivity, and thus, identifies nano confinement of paramagnetic ions as novel general strategy to develop paramagnetic metal-ion graphitic-carbon complexes as high relaxivity MRI contrast agents.

Physicochemical Characterization, and Relaxometry Studies of Micro-Graphite Oxide, Graphene Nanoplatelets, and Nanoribbons

PubMed Central

Paratala, Bhavna S.; Jacobson, Barry D.; Kanakia, Shruti; Francis, Leonard Deepak; Sitharaman, Balaji

2012-01-01

The chemistry of high-performance magnetic resonance imaging contrast agents remains an active area of research. In this work, we demonstrate that the potassium permanganate-based oxidative chemical procedures used to synthesize graphite oxide or graphene nanoparticles leads to the confinement (intercalation) of trace amounts of Mn2+ ions between the graphene sheets, and that these manganese intercalated graphitic and graphene structures show disparate structural, chemical and magnetic properties, and high relaxivity (up to 2 order) and distinctly different nuclear magnetic resonance dispersion profiles compared to paramagnetic chelate compounds. The results taken together with other published reports on confinement of paramagnetic metal ions within single-walled carbon nanotubes (a rolled up graphene sheet) show that confinement (encapsulation or intercalation) of paramagnetic metal ions within graphene sheets, and not the size, shape or architecture of the graphitic carbon particles is the key determinant for increasing relaxivity, and thus, identifies nano confinement of paramagnetic ions as novel general strategy to develop paramagnetic metal-ion graphitic-carbon complexes as high relaxivity MRI contrast agents. PMID:22685555

Security analysis and enhanced user authentication in proxy mobile IPv6 networks.

PubMed

Kang, Dongwoo; Jung, Jaewook; Lee, Donghoon; Kim, Hyoungshick; Won, Dongho

2017-01-01

The Proxy Mobile IPv6 (PMIPv6) is a network-based mobility management protocol that allows a Mobile Node(MN) connected to the PMIPv6 domain to move from one network to another without changing the assigned IPv6 address. The user authentication procedure in this protocol is not standardized, but many smartcard based authentication schemes have been proposed. Recently, Alizadeh et al. proposed an authentication scheme for the PMIPv6. However, it could allow an attacker to derive an encryption key that must be securely shared between MN and the Mobile Access Gate(MAG). As a result, outsider adversary can derive MN's identity, password and session key. In this paper, we analyze Alizadeh et al.'s scheme regarding security and propose an enhanced authentication scheme that uses a dynamic identity to satisfy anonymity. Furthermore, we use BAN logic to show that our scheme can successfully generate and communicate with the inter-entity session key.

HNP renumbering support in PMIPv6

NASA Astrophysics Data System (ADS)

Yan, Zhiwei; Geng, Guanggang; Lee, Xiaodong

2015-12-01

In the basic PMIPv6 (Proxy Mobile IPv6), the MN (Mobile Node) is assigned with a 64-bit HNP (Home Network Prefix) during the initial attachment for the HoA (Home Address) configuration. During the movements of MN, this prefix is assumed to be unchanged and then the upper layer applications do not have to use the reconfigured HoA and then the handover is transparent at the IP and above layers. However, the current protocol does not specify the related operation to support the MN to timely receive the new HNP and configure the new HoA when its HNP is renumbered. In this paper, this problem is discussed and a possible solution is proposed based on some simple extensions of the basic PMIPv6. Our analysis demonstrates that the proposed scheme can effectively discover the HNP renumbering and keep lower signaling cost, compared with the basic PMIPv6.

Modeling the absorption spectrum of the permanganate ion in vacuum and in aqueous solution

NASA Astrophysics Data System (ADS)

Olsen, Jógvan Magnus Haugaard; Hedegård, Erik Donovan

The absorption spectrum of the MnO$_{4}$$^{-}$ ion has been a test-bed for quantum-chemical methods over the last decades. Its correct description requires highly-correlated multiconfigurational methods, which are incompatible with the inclusion of finite-temperature and solvent effects due to their high computational demands. Therefore, implicit solvent models are usually employed. Here we show that implicit solvent models are not sufficiently accurate to model the solvent shift of MnO$_{4}$$^{-}$, and we analyze the origins of their failure. We obtain the correct solvent shift for MnO$_{4}$$^{-}$ in aqueous solution by employing the polarizable embedding (PE) model combined with a range-separated complete active space short-range density functional theory method (CAS-srDFT). Finite-temperature effects are taken into account by averaging over structures obtained from ab initio molecular dynamics simulations. The explicit treatment of finite-temperature and solvent effects facilitates the interpretation of the bands in the low-energy region of the MnO$_{4}$$^{-}$ absorption spectrum, whose assignment has been elusive.

Microwave. Instructor's Edition. Louisiana Vocational-Technical Education.

ERIC Educational Resources Information Center

Blanton, William

This publication contains related study assignments and job sheets for a course in microwave technology. The course is organized into 12 units covering the following topics: introduction to microwave, microwave systems, microwave oscillators, microwave modulators, microwave transmission lines, transmission lines, detectors and mixers, microwave…

Heusler Alloyed Electrodes Integrated in Magnetic Tunnel-Junctions

NASA Astrophysics Data System (ADS)

Hütten, Andreas; Kämmerer, Sven; Schmalhorst, Jan; Reiss, Günter

As a consequence of the growing theoretically predictions of 100% spin polarized half- and full-Heusler compounds over the past 6 years, Heusler alloys are among the most promising materials class for future magnetoelectronic and spintronic applications. We have integrated Co2MnSi as a representative of the full-Heusler compound family as one magnetic electrode into technological relevant magnetic tunnel junctions. The resulting tunnel magnetoresistance at 20 K was determined to be 95% corresponding to a Co2MnSi spin polarization of 66% in combination with an AlOx barrier thickness of 1.8 nm. For magnetic tunnel junctions prepared with an initially larger Al layer prior to oxidation the tunnel magnetoresistance at 20 K increases to about 108% associated with a Co2MnSi spin polarization of 72% clearly proving that Co2MnSi is already superior to 3d-based magnetic elements or their alloys. The corresponding room temperature values of the tunnel magnetoresistance are 33% and 41%, respectively. Structural and magnetic properties of the Co2MnSi AlOx - barrier interface have been studied with X-ray diffraction, electron and X-ray absorption spectroscopy and X-ray magnetic circular dichroism and it is shown that the ferromagnetic order of Mn and Co spins at this interface is only induced in optimally annealed Co2MnSi layer. The underlying atomic ordering mechanism responsible for achieving about its theoretical magnetic moment could be assigned to the elimination of Co-Si antisite defects whereas the reduction of Co-Mn antisite defects results in large tunnel magnetoresistance. The presence of a step like tunnel barrier which is already created during plasma oxidation while preparing the AlOx tunnel barrier has been identified as the current limitation to achieve larger tunnel magnetoresistance and hence larger spin polarization and is a direct consequence of the oxygen affinity of the Co2MnSi - Heusler elements Mn and Si.

A systematic probe in the properties of spray coated mixed spinel films of cobalt and manganese

NASA Astrophysics Data System (ADS)

Grace Victoria, S.; Moses Ezhil Raj, A.

2018-01-01

The multiple oxidation states of manganese and cobalt in cobalt manganese oxides play a crucial role in shaping up the vivid properties thus evoking curiosity among researchers. In the present work, mixed spinel films of CoMn(CoMn)2O4 were coated on glass substrates by the spray pyrolysis technique with different precursor concentrations of the acetate salts of the metals in ethyl alcohol. XRD investigations revealed an intermediate tetragonal spinel structure between cubic MnCo2O4 and tetragonal Mn3O4 (JCPDS 18-0410) with predominant orientation along (311) plane. The tetragonal distortion from cubic symmetry may be due to high Mn2+ ion content at octahedral sites. Raman spectroscopy highlighted two typical emission peaks characteristic of the deposited mixed spinel oxides. Functional groups were assigned with the aid of FTIR spectral analysis to the observed absorption bands. The binding energies of the photo-electron peaks observed for the transition metal ions and the oxygenated ions were recorded by XPS. The results indicated that the divalent and trivalent ions of cobalt co-existed with the divalent manganese ions. AFM images revealed vertically aligned columnar grains. The electrical measurements indicated conduction mechanism through jumps of polarons. Optical absorption revealed wide band gap energy of 3.76 eV.

Characterizing multiple metal ion binding sites within a ribozyme by cadmium-induced EPR silencing

PubMed Central

Kisseleva, Natalia; Kraut, Stefanie; Jäschke, Andres; Schiemann, Olav

2007-01-01

In ribozyme catalysis, metal ions are generally known to make structural and∕or mechanistic contributions. The catalytic activity of a previously described Diels-Alderase ribozyme was found to depend on the concentration of divalent metal ions, and crystallographic data revealed multiple binding sites. Here, we elucidate the interactions of this ribozyme with divalent metal ions in solution using electron paramagnetic resonance (EPR) spectroscopy. Manganese ion titrations revealed five high-affinity Mn2+ binding sites with an upper Kd of 0.6±0.2 μM. In order to characterize each binding site individually, EPR-silent Cd2+ ions were used to saturate the other binding sites. This cadmium-induced EPR silencing showed that the Mn2+ binding sites possess different affinities. In addition, these binding sites could be assigned to three different types, including innersphere, outersphere, and a Mn2+ dimer. Based on simulations, the Mn2+-Mn2+ distance within the dimer was found to be ∼6 Å, which is in good agreement with crystallographic data. The EPR-spectroscopic characterization reveals no structural changes upon addition of a Diels-Alder product, supporting the concept of a preorganized catalytic pocket in the Diels-Alder ribozyme and the structural role of these ions. PMID:19404418

Bio-sheet graft therapy for artificial gastric ulcer after endoscopic submucosal dissection: an animal feasibility study.

PubMed

Kwon, Chang-Il; Kim, Gwangil; Ko, Kwang Hyun; Jung, Yunho; Chung, Il-Kwun; Jeong, Seok; Lee, Don Haeng; Hong, Sung Pyo; Hahm, Ki Baik

2015-04-01

Various bio-sheet grafts have been attempted either to accelerate healing of artificial ulcers or to prevent adverse events after endoscopic submucosal dissection (ESD), but neither prospective nor mechanistic studies were available. To evaluate the substantial effect of a bio-sheet graft on artificial ulcer healing and its feasibility as an endoscopic treatment modality. Preclinical, in vivo animal experiment and proof-of-concept study. Animal laboratory. Three mini-pigs, Sus scrofa, mean age 14 months. Multiple ulcers sized 2.5 cm in diameter were generated by ESD in 3 mini-pigs and were assigned randomly into the following 3 groups; control group, bio-sheet group, or combination (bio-sheet plus drug) group. Bio-sheet grafts or bio-sheet plus drug combinations were applied on the artificial ulcers immediately after the ESD. Feasibility and efficacy of endoscopic bio-sheet graft therapy for the management of artificial ulcers and the evaluation of healing conditions based on histology changes in the remaining gastric bed tissues harvested from the stomachs. Thirty-three ESD specimens were obtained. On an image analysis of the ratio of healed area in the remaining gastric bed tissue compared with the matched dissected gastric mucosa, the control group showed the most significant improvement in healing activity among the 3 groups (P < .05), whereas the severity of inflammation in the remaining ulcer tissue was significantly attenuated in bio-sheet and combination groups (P < .05). Animal model. Although the bio-sheet grafts provided physical protection from gastric acid attack as reflected in the attenuated inflammation on the ulcer beds, unexpected delayed ulcer healing was noted in the bio-sheet graft group because of its physical hindrance of the healing process. Copyright © 2015 American Society for Gastrointestinal Endoscopy. Published by Elsevier Inc. All rights reserved.

Corrosion Embrittlement of Duralumin II Accelerated Corrosion Tests and the Behavior of High-Strength Aluminum Alloys of Different Compositions

NASA Technical Reports Server (NTRS)

Rawdon, Henry S

1928-01-01

The permanence, with respect to corrosion, of light aluminum alloy sheets of the duralumin type, that is, heat-treatable alloys containing Cu, Mg, Mn, and Si is discussed. Alloys of this type are subject to surface corrosion and corrosion of the interior by intercrystalline paths. Results are given of accelerated corrosion tests, tensile tests, the effect on corrosion of various alloying elements and heat treatments, electrical resistance measurements, and X-ray examinations.

Antimicrobial Properties of 2D MnO2 and MoS2 Nanomaterials Vertically Aligned on Graphene Materials and Ti3C2 MXene.

PubMed

Alimohammadi, Farbod; Sharifian Gh, Mohammad; Attanayake, Nuwan H; Thenuwara, Akila C; Gogotsi, Yury; Anasori, Babak; Strongin, Daniel R

2018-06-07

Two-dimensional (2D) nanomaterials have attracted considerable attention in biomedical and environmental applications due to their antimicrobial activity. In the interest of investigating the primary antimicrobial mode-of-action of 2D nanomaterials, we studied the antimicrobial properties of MnO 2 and MoS 2 , toward Gram-positive and Gram-negative bacteria. Bacillus subtilis and Escherichia coli bacteria were treated individually with 100 μg/mL of randomly oriented and vertically aligned nanomaterials for ∼3 h in the dark. The vertically aligned 2D MnO 2 and MoS 2 were grown on 2D sheets of graphene oxide, reduced graphene oxide, and Ti 3 C 2 MXene. Measurements to determine the viability of bacteria in the presence of the 2D nanomaterials performed by using two complementary techniques, flow cytometry, and fluorescence imaging showed that, while MnO 2 and MoS 2 nanosheets show different antibacterial activities, in both cases, Gram-positive bacteria show a higher loss in membrane integrity. Scanning electron microscopy images suggest that the 2D nanomaterials, which have a detrimental effect on bacteria viability, compromise the cell wall, leading to significant morphological changes. We propose that the peptidoglycan mesh (PM) in the bacterial wall is likely the primary target of the 2D nanomaterials. Vertically aligned 2D MnO 2 nanosheets showed the highest antimicrobial activity, suggesting that the edges of the nanosheets were likely compromising the cell walls upon contact.

Low-cost flexible supercapacitors with high-energy density based on nanostructured MnO2 and Fe2O3 thin films directly fabricated onto stainless steel

PubMed Central

Gund, Girish S.; Dubal, Deepak P.; Chodankar, Nilesh R.; Cho, Jun Y.; Gomez-Romero, Pedro; Park, Chan; Lokhande, Chandrakant D.

2015-01-01

The facile and economical electrochemical and successive ionic layer adsorption and reaction (SILAR) methods have been employed in order to prepare manganese oxide (MnO2) and iron oxide (Fe2O3) thin films, respectively with the fine optimized nanostructures on highly flexible stainless steel sheet. The symmetric and asymmetric flexible-solid-state supercapacitors (FSS-SCs) of nanostructured (nanosheets for MnO2 and nanoparticles for Fe2O3) electrodes with Na2SO4/Carboxymethyl cellulose (CMC) gel as a separator and electrolyte were assembled. MnO2 as positive and negative electrodes were used to fabricate symmetric SC, while the asymmetric SC was assembled by employing MnO2 as positive and Fe2O3 as negative electrode. Furthermore, the electrochemical features of symmetric and asymmetric SCs are systematically investigated. The results verify that the fabricated symmetric and asymmetric FSS-SCs present excellent reversibility (within the voltage window of 0–1 V and 0–2 V, respectively) and good cycling stability (83 and 91%, respectively for 3000 of CV cycles). Additionally, the asymmetric SC shows maximum specific capacitance of 92 Fg−1, about 2-fold of higher energy density (41.8 Wh kg−1) than symmetric SC and excellent mechanical flexibility. Furthermore, the “real-life” demonstration of fabricated SCs to the panel of SUK confirms that asymmetric SC has 2-fold higher energy density compare to symmetric SC. PMID:26208144

Low-cost flexible supercapacitors with high-energy density based on nanostructured MnO2 and Fe2O3 thin films directly fabricated onto stainless steel

NASA Astrophysics Data System (ADS)

Gund, Girish S.; Dubal, Deepak P.; Chodankar, Nilesh R.; Cho, Jun Y.; Gomez-Romero, Pedro; Park, Chan; Lokhande, Chandrakant D.

2015-07-01

The facile and economical electrochemical and successive ionic layer adsorption and reaction (SILAR) methods have been employed in order to prepare manganese oxide (MnO2) and iron oxide (Fe2O3) thin films, respectively with the fine optimized nanostructures on highly flexible stainless steel sheet. The symmetric and asymmetric flexible-solid-state supercapacitors (FSS-SCs) of nanostructured (nanosheets for MnO2 and nanoparticles for Fe2O3) electrodes with Na2SO4/Carboxymethyl cellulose (CMC) gel as a separator and electrolyte were assembled. MnO2 as positive and negative electrodes were used to fabricate symmetric SC, while the asymmetric SC was assembled by employing MnO2 as positive and Fe2O3 as negative electrode. Furthermore, the electrochemical features of symmetric and asymmetric SCs are systematically investigated. The results verify that the fabricated symmetric and asymmetric FSS-SCs present excellent reversibility (within the voltage window of 0-1 V and 0-2 V, respectively) and good cycling stability (83 and 91%, respectively for 3000 of CV cycles). Additionally, the asymmetric SC shows maximum specific capacitance of 92 Fg-1, about 2-fold of higher energy density (41.8 Wh kg-1) than symmetric SC and excellent mechanical flexibility. Furthermore, the “real-life” demonstration of fabricated SCs to the panel of SUK confirms that asymmetric SC has 2-fold higher energy density compare to symmetric SC.

Recovery from welding-fume-exposure-induced MRI T1 signal intensities after cessation of welding-fume exposure in brains of cynomolgus monkeys.

PubMed

Han, Jeong Hee; Chung, Yong Hyun; Park, Jung Duck; Kim, Choong Yong; Yang, Seoung Oh; Khang, Hyun Soo; Cheong, Hae Kwan; Lee, Jong Seong; Ha, Chang Soo; Song, Chang-Woo; Kwon, Il Hoon; Sung, Jae Hyuck; Heo, Jeong Doo; Kim, Na-Young; Huang, Mingai; Cho, Myung Haing; Yu, Il Je

2008-09-01

The shortening of the MRI T1 relaxation time, indicative of a high signal intensity in a T1-weighted MRI, is known as a useful biomarker for Mn exposure after short-term welding-fume exposure. A previous monkey experimental study found that the T1 relaxation times decreased time-dependently after exposure, and a visually detectable high signal intensity appeared after 150 days of exposure. The nadir for the shortening of the T1 relaxation time was also previously found to correspond well with the blood Mn concentration in welders, suggesting a correlation between a prolonged high blood Mn concentration and shortened T1 relaxation time. Accordingly, to clarify the clearance of the brain Mn concentration after the cessation of welding-fume exposure, cynomolgus monkeys were assigned to 3 groups-unexposed, low dose (31 mg/m(3) total suspended particulate (TSP), 0.9 mg Mn/m(3)), and high dose (62 mg/m(3) TSP, 1.95 mg Mn/m(3))-and exposed to manual metal-arc stainless steel (MMA-SS) welding fumes for 2 h per day for 8 mo in an inhalation chamber system equipped with an automatic fume generator. After reaching the peak MRI T1 signal intensity (shortest T1 relaxation time), the monkeys were allowed to recover by ceasing the welding-fume exposure. Within 2 mo, the MRI T1 signal intensities for the exposed monkeys returned to nearly the same level as those for the unexposed monkeys, indicating the potential for recovery from a high MRI T1 signal intensity induced by welding-fume exposure, even after prolonged exposure. Clearance of the Mn tissue concentration was also demonstrated in the globus pallidus, plus other tissues from the brain, liver, spleen, and blood. In contrast, there was no clearance of the lung concentrations of Mn, indicating that a soluble form of Mn was transported to the blood and brain. Therefore, the solubility of Mn in welding fumes would appear to be an important determinant as regards the retention of blood Mn levels and brain tissue Mn concentrations in welders.

Native structure of photosystem II at 1.95 Å resolution viewed by femtosecond X-ray pulses.

PubMed

Suga, Michihiro; Akita, Fusamichi; Hirata, Kunio; Ueno, Go; Murakami, Hironori; Nakajima, Yoshiki; Shimizu, Tetsuya; Yamashita, Keitaro; Yamamoto, Masaki; Ago, Hideo; Shen, Jian-Ren

2015-01-01

Photosynthesis converts light energy into biologically useful chemical energy vital to life on Earth. The initial reaction of photosynthesis takes place in photosystem II (PSII), a 700-kilodalton homodimeric membrane protein complex that catalyses photo-oxidation of water into dioxygen through an S-state cycle of the oxygen evolving complex (OEC). The structure of PSII has been solved by X-ray diffraction (XRD) at 1.9 ångström resolution, which revealed that the OEC is a Mn4CaO5-cluster coordinated by a well defined protein environment. However, extended X-ray absorption fine structure (EXAFS) studies showed that the manganese cations in the OEC are easily reduced by X-ray irradiation, and slight differences were found in the Mn-Mn distances determined by XRD, EXAFS and theoretical studies. Here we report a 'radiation-damage-free' structure of PSII from Thermosynechococcus vulcanus in the S1 state at a resolution of 1.95 ångströms using femtosecond X-ray pulses of the SPring-8 ångström compact free-electron laser (SACLA) and hundreds of large, highly isomorphous PSII crystals. Compared with the structure from XRD, the OEC in the X-ray free electron laser structure has Mn-Mn distances that are shorter by 0.1-0.2 ångströms. The valences of each manganese atom were tentatively assigned as Mn1D(III), Mn2C(IV), Mn3B(IV) and Mn4A(III), based on the average Mn-ligand distances and analysis of the Jahn-Teller axis on Mn(III). One of the oxo-bridged oxygens, O5, has significantly longer distances to Mn than do the other oxo-oxygen atoms, suggesting that O5 is a hydroxide ion instead of a normal oxygen dianion and therefore may serve as one of the substrate oxygen atoms. These findings provide a structural basis for the mechanism of oxygen evolution, and we expect that this structure will provide a blueprint for the design of artificial catalysts for water oxidation.

Chemical fluxes and origin of a manganese carbonate-oxide-silicate deposit in bedded chert

USGS Publications Warehouse

Huebner, J.S.; Flohr, M.J.K.; Grossman, J.N.

1992-01-01

Lens-like rhodochrosite-rich bodies within interbedded chert and shale are associated with basalt and/or graywacke in ophiolitic and orogenic zones. The Buckeye manganese mine in the Franciscan Complex of the California Coast Ranges is associated with metagraywacke. Despite blueschist-facies metamorphism, this deposit preserves the compositions and some textural features of its sedimentary protoliths. For this reason, it is a suitable deposit with which to compare more intensely altered deposits, or deposits originating in different paleoenvironments. Six Mn-rich and three Mn-poor minerals form monomineralic layers and mixtures: rhodochrosite, gageite, Mn-oxides (hausmannite, braunite), divalent Mn-silicates (caryopilite, taneyamalite), chlorite, quartz (metachert) and aegirine-augite. The Mn-rich protoliths have high Mn/Fe combined with relatively low concentrations of Ca, Al, Ti, Co, Ni, Cu, Th and REE. REE patterns of various protoliths are distinct. Rhodochrosite and gageite layers are depleted (seawater ?? 5 ?? 104) and flat, whereas patterns of metachert and the Mn-silicate-rich layers mimic the patterns of metashale and metagraywacke (seawater ?? 106). Hausmannite layers have flat patterns (seawater ?? 7 ?? 104) whereas braunite-rich layers are more enriched (seawater ?? 2 ?? 105) and show a distinct positive Ce anomaly. Factor analysis reveals components and fluxes attributed to sub-seafloor fluids (Ni, As, Zn, Sb, W, Mn), seawater (Mg, Au, V, Mo), detritus and veins (Ca, Ba, Sr). Silica is negatively correlated with the sub-seafloor factor. The observed variances indicate that water from the sediment column mixed with seawater, that deposition occurred near the sediment-seawater interface before mixtures of subsurface fluid and seawater homogenized, and that the system was not entirely closed during metamorphism. The variations in REE enrichment can be related to kinetics of deposition: rhodochrosite and gageite were precipitated most rapidly, and therefore were the protoliths that most effectively diluted the REE-rich background resulting from fine clastic material (derived from distal turbidites). The variation of the Ce anomaly and U/Th among diverse lithologies and the differences in Mn oxidation states are consistent with progressive dilution of reduced subsurface fluids with oxidized seawater. By this scheme, rhodochrosite, gageite and hausmannite were deposited from the most reduced fluids, braunite from intermediate mixtures, and Mn-silicates from the sub-seafloor fluids most diluted with fresh seawater. Comparison of the Buckeye with other lens-like and sheet-like deposits having high Mn/Fe and containing Mn3+ and/or Mn2+ suggests that each had three essential fluxes: a sub-seafloor source of Mn, a local source of very soluble silica and a source of relatively fresh, oxygenated water. Additional fluxes, such as clastics, appear to be more characteristic of the paleoenvironment than the three essential fluxes. ?? 1992.

Improvement of system capacitance via weavable superelastic biscrolled yarn supercapacitors

NASA Astrophysics Data System (ADS)

Choi, Changsoon; Kim, Kang Min; Kim, Keon Jung; Lepró, Xavier; Spinks, Geoffrey M.; Baughman, Ray H.; Kim, Seon Jeong

2016-12-01

Yarn-based supercapacitors having improved performance are needed for existing and emerging wearable applications. Here, we report weavable carbon nanotube yarn supercapacitors having high performance because of high loadings of rapidly accessible charge storage particles (above 90 wt% MnO2). The yarn electrodes are made by a biscrolling process that traps host MnO2 nanoparticles within the galleries of helically scrolled carbon nanotube sheets, which provide strength and electrical conductivity. Despite the high loading of brittle metal oxide particles, the biscrolled solid-state yarn supercapacitors are flexible and can be made elastically stretchable (up to 30% strain) by over-twisting to produce yarn coiling. The maximum areal capacitance of the yarn electrodes were up to 100 times higher than for previously reported fibres or yarn supercapacitors. Similarly, the energy density of complete, solid-state supercapacitors made from biscrolled yarn electrodes with gel electrolyte coating were significantly higher than for previously reported fibre or yarn supercapacitors.

Magnetoresistance enhancement in specular, bottom-pinned, Mn83Ir17 spin valves with nano-oxide layers

NASA Astrophysics Data System (ADS)

Veloso, A.; Freitas, P. P.; Wei, P.; Barradas, N. P.; Soares, J. C.; Almeida, B.; Sousa, J. B.

2000-08-01

Bottom-pinned Mn83Ir17 spin valves with enhanced specular scattering were fabricated, showing magnetoresistance (MR) values up to 13.6%, lower sheet resistance R□ and higher ΔR□. Two nano-oxide layers (NOL) are grown on both sides of the CoFe/Cu/CoFe spin valve structure by natural oxidation or remote plasma oxidation of the starting CoFe layer. Maximum MR enhancement is obtained after just 1 min plasma oxidation. Rutherford backscattering analysis shows that a 15±2 Å oxide layer grows at the expense of the initial (prior to oxidation) CoFe layer, with ˜12% reduction of the initial 40 Å CoFe thickness. X-ray reflectometry indicates that Kiessig fringes become better defined after NOL growth, indicating smoother inner interfaces, in agreement with the observed decrease of the spin valve ferromagnetic Néel coupling.

Effects of annealing conditions on microstructure and mechanical properties of low carbon, manganese transformation-induced plasticity steel

NASA Astrophysics Data System (ADS)

Jang, Jae-Myeong; Kim, Sung-Joon; Kang, Nam Hyun; Cho, Kyung-Mox; Suh, Dong-Woo

2009-12-01

The effects of annealing conditions on microstructural evolution and mechanical properties have been investigated in low carbon, manganese TRIP (Mn TRIP) steel based on a 0.12C-6Mn-0.5Si-3Al alloy system. The microstructure of cold-rolled sheet subjected to annealing at 760 °C to 800 °C for 30 s to 1800 s consists of a recrystallized ferrite matrix and fine-grained austenite with a phase fraction of 25 % to 35 %. Variation of the annealing conditions remarkably influenced the characteristics of constituent phases and thus affected the tensile strength and elongation. Optimization of microstructural parameters such as grain size and fraction of constituent phases, which control the yield strength, overall work hardening, and the kinetics of strain-induced martensite formation, is thus critical for obtaining an exceptional mechanical balance of the alloy.

Pseudosymmetric fac-di-aqua-trichlorido[(di-methyl-phosphor-yl)methanaminium-κO]manganese(II).

PubMed

Reiss, Guido J

2013-05-01

In the title compound, [Mn(C3H11NOP)Cl3(H2O)2], the Mn(II) metal center has a distorted o-cta-hedral geometry, coordinated by the three chloride ligands showing a facial arrangement. Two water mol-ecules and the O-coordinated dpmaH cation [dpmaH = (di-methyl-phosphor-yl)methanaminium] complete the coordination sphere. Each complex mol-ecule is connected to its neighbours by O-H⋯Cl and N-H⋯Cl hydrogen bonds. Two of the chloride ligands and the two water ligands form a hydrogen-bonded polymeric sheet in the ab plane. Furthermore, these planes are connected to adjacent planes by hydrogen bonds from the aminium function of cationic dpmaH ligand. A pseudo-mirror plane perpendicular to the b axis in the chiral space group P21 is observed together with inversion twinning [ratio = 0.864 (5):0.136 (5)].

Graphene supported heterogeneous catalysts for Li-O2 batteries

NASA Astrophysics Data System (ADS)

Alaf, M.; Tocoglu, U.; Kartal, M.; Akbulut, H.

2016-09-01

In this study production and characterization of free-standing and flexible (i) graphene, (ii) α-MnO2/graphene, (iii) Pt/graphene (iv) α-MnO2/Pt/graphene composite cathodes for Li-air batteries were reported. Graphene supported heterogeneous catalysts were produced by a facile method. In order to prevent aggregation of graphene sheets and increase not only interlayer distance but also surface area, a trace amount multi-wall carbon nano tube (MWCNT) was introduced to the composite structure. The obtained composite catalysts were characterized by SEM, X-ray diffraction, N2 adsorption-desorption analyze and Raman spectroscopy. The electrochemical characterization tests including galvanostatic charge/discharge and electrochemical impedance spectroscopy (EIS) measurement of catalyst were carried out by using an ECC-Air test cell. These highly active graphene supported heterogeneous composite catalysts provide competitive properties relative to other catalyst materials for Li-air batteries.

Self-assembled decanuclear Na(I)2Mn(II)4Mn(III)4 complexes: from discrete clusters to 1-D and 2-D structures, with the Mn(II)4Mn(III)4 unit displaying a large spin ground state and probable SMM behaviour.

PubMed

Langley, Stuart K; Chilton, Nicholas F; Moubaraki, Boujemaa; Murray, Keith S

2011-12-07

The synthesis, magnetic characterization and X-ray crystal structures are reported for five new manganese compounds, [Mn(III)(teaH(2))(sal)]·(1/2)H(2)O (1), [Na(I)(2)Mn(II)(4)Mn(III)(4)(teaH)(6)(sal)(4)(N(3))(2)(MeOH)(4)]·6MeOH (2), [Na(I)(2)Mn(II)(4)Mn(III)(4)(teaH)(6)(sal)(4)(N(3))(2)(MeOH)(2)](n)·7MeOH (3), [Na(I)(2)Mn(II)(4)Mn(III)(4)(teaH)(6)(sal)(4)(N(3))(2)(MeOH)(2)](n)·2MeOH·Et(2)O (4) and [K(I)(2)Mn(II)(4)Mn(III)(4)(teaH)(6)(sal)(4)(N(3))(2)(H(2)O)(2)](n)·5MeOH (5). Complex 1 is a mononuclear compound, formed via the reaction of Mn(NO(3))(2)·4H(2)O, triethanolamine (teaH(3)) and salicylic acid (salH(2)) in a basic methanolic solution. Compound 2 is a mixed-valent hetero-metallic cluster made up of a Mn(8)Na(2) decanuclear core and is formed via the reaction of sodium azide (NaN(3)) with 1. Compounds 3-5 are isolated as 1- or 2-D coordination polymers, each containing the decanuclear Mn(8)M(2) (M = Na(+) or K(+)) core building block as the repeating unit. Compound 3 is isolated when 1 is reacted with NaN(3) over a very short reaction time and forms a 1-D coordination polymer. Each unit displays inter-cluster bridges via the O-atoms of teaH(2-) ligands bonding to the sodium ions of an adjacent cluster. Increasing the reaction time appears to drive the formation of 4 which forms 2-D polymeric sheets and is a packing polymorph of 3. The addition of KMnO(4) and NaN(3) to 1 resulted in compound 5, which also forms a 1-D coordination polymer of the decanuclear core unit. The 1-D chains are now linked via inter-cluster potassium and salicylate bridges. Solid state DC susceptibility measurements were performed on compounds 1-5. The data for 1 are as expected for an S = 2 Mn(III) ion, with the isothermal M vs. H data being fitted by matrix diagonalization methods to give values of g and the axial (D) and rhombic (E) zero field splitting parameters of 2.02, -2.70 cm(-1) and 0.36 cm(-1) respectively. The data for 2-5, each with an identical Mn(II)(4)Mn(III)(4) metallic core, indicates large spin ground states, with likely values of S = 16 (±1) for each. Solid state AC susceptibility measurements confirm the large spin ground state values and is also suggestive of SMM behaviour for 2-5 as observed via the onset of frequency dependent out-of-phase peaks.

Reactivity and O2 Formation by Mn(IV)- and Mn(V)-Hydroxo Species Stabilized within a Polyfluoroxometalate Framework.

PubMed

Schreiber, Roy E; Cohen, Hagai; Leitus, Gregory; Wolf, Sharon G; Zhou, Ang; Que, Lawrence; Neumann, Ronny

2015-07-15

Manganese(IV,V)-hydroxo and oxo complexes are often implicated in both catalytic oxygenation and water oxidation reactions. Much of the research in this area is designed to structurally and/or functionally mimic enzymes. On the other hand, the tendency of such mimics to decompose under strong oxidizing conditions makes the use of molecular inorganic oxide clusters an enticing alternative for practical applications. In this context it is important to understand the reactivity of conceivable reactive intermediates in such an oxide-based chemical environment. Herein, a polyfluoroxometalate (PFOM) monosubstituted with manganese, [NaH2(Mn-L)W17F6O55](q-), has allowed the isolation of a series of compounds, Mn(II, III, IV and V), within the PFOM framework. Magnetic susceptibility measurements show that all the compounds are high spin. XPS and XANES measurements confirmed the assigned oxidation states. EXAFS measurements indicate that Mn(II)PFOM and Mn(III)PFOM have terminal aqua ligands and Mn(V)PFOM has a terminal hydroxo ligand. The data are more ambiguous for Mn(IV)PFOM where both terminal aqua and hydroxo ligands can be rationalized, but the reactivity observed more likely supports a formulation of Mn(IV)PFOM as having a terminal hydroxo ligand. Reactivity studies in water showed unexpectedly that both Mn(IV)-OH-PFOM and Mn(V)-OH-PFOM are very poor oxygen-atom donors; however, both are highly reactive in electron transfer oxidations such as the oxidation of 3-mercaptopropionic acid to the corresponding disulfide. The Mn(IV)-OH-PFOM compound reacted in water to form O2, while Mn(V)-OH-PFOM was surprisingly indefinitely stable. It was observed that addition of alkali cations (K(+), Rb(+), and Cs(+)) led to the aggregation of Mn(IV)-OH-PFOM as analyzed by electron microscopy and DOSY NMR, while addition of Li(+) and Na(+) did not lead to aggregates. Aggregation leads to a lowering of the entropic barrier of the reaction without changing the free energy barrier. The observation that O2 formation is fastest in the presence of Cs(+) and ∼fourth order in Mn(IV)-OH-PFOM supports a notion of a tetramolecular Mn(IV)-hydroxo intermediate that is viable for O2 formation in an oxide-based chemical environment. A bimolecular reaction mechanism involving a Mn(IV)-hydroxo based intermediate appears to be slower for O2 formation.

The structure of a one-electron oxidized Mn(iii)-bis(phenolate)dipyrrin radical complex and oxidation catalysis control via ligand-centered redox activity.

PubMed

Lecarme, Laureline; Chiang, Linus; Moutet, Jules; Leconte, Nicolas; Philouze, Christian; Jarjayes, Olivier; Storr, Tim; Thomas, Fabrice

2016-10-18

The tetradentate ligand dppH3, which features a half-porphyrin and two electron-rich phenol moieties, was prepared and chelated to manganese. The mononuclear Mn(iii)-dipyrrophenolate complex 1 was structurally characterized. The metal ion lies in a square pyramidal environment, the apical position being occupied by a methanol molecule. Complex 1 displays two reversible oxidation waves at 0.00 V and 0.47 V vs. Fc + /Fc, which are assigned to ligand-centered processes. The one-electron oxidized species 1+ SbF6- was crystallized, showing an octahedral Mn(iii) center with two water molecules coordinated at both apical positions. The bond distance analysis and DFT calculations disclose that the radical is delocalized over the whole aromatic framework. Complex 1+ SbF6- exhibits an S tot = 3/2 spin state due to the antiferromagnetic coupling between Mn(iii) and the ligand radical. The zero field splitting parameters are D = 1.6 cm -1 , E/D = 0.18(1), g ⊥ = 1.99 and g ∥ = 1.98. The dication 12+ is an integer spin system, which is assigned to a doubly oxidized ligand coordinated to a Mn(iii) metal center. Both 1 and 1+ SbF6- catalyze styrene oxidation in the presence of PhIO, but the nature of the main reaction product is different. Styrene oxide is the main reaction product when using 1, but phenylacetaldehyde is formed predominantly when using 1+ SbF6-. We examined the ability of complex 1+ SbF6- to catalyze the isomerization of styrene oxide and found that it is an efficient catalyst for the anti-Markovnikov opening of styrene oxide. The formation of phenylacetaldehyde from styrene therefore proceeds in a tandem E-I (epoxidation-isomerization) mechanism in the case of 1+ SbF6-. This is the first evidence of control of the reactivity for styrene oxidation by changing the oxidation state of a catalyst based on a redox-active ligand.

Validation of Welding Curriculum Manual.

ERIC Educational Resources Information Center

Stone, Sheila D.

A study was conducted to validate the welding curriculum materials developed and published by the Oklahoma State Department of Vocational and Technical Education. Twelve instructors collected achievement data (unit tests, assignment sheets, and evaluation forms) concerning the performance of 280 students on a total of 46 instructional units. Item…

Monoclonal Antibodies to the V2 Domain of MN-rgp120: Fine Mapping of Epitopes and Inhibition of α4β7 Binding

PubMed Central

Nakamura, Gerald R.; Fonseca, Dora P. A. J.; O'Rourke, Sara M.; Vollrath, Aaron L.; Berman, Phillip W.

2012-01-01

Background Recombinant gp120 (MN-rgp120) was a major component of the AIDSVAX B/E vaccine used in the RV144 trial. This was the first clinical trial to show that vaccination could prevent HIV infection in humans. A recent RV144 correlates of protection study found that protection correlated with the presence of antibodies to the V2 domain. It has been proposed that antibodies to the α4β7 binding site in the V2 domain might prevent HIV-1 infection by blocking the ability of virions to recognize α4β7 on activated T-cells. In this study we investigated the specificity of monoclonal antibodies (MAbs) to the V2 domain of MN-rgp120 and examined the possibility that these antibodies could inhibit the binding of MN-rgp120 to the α4β7 integrin. Methodology/Principal Findings Nine MAbs to the V2 domain were isolated from mice immunized with recombinant envelope proteins. The ability of these MAbs to inhibit HIV infection, block the binding of gp120 to CD4, and block the binding of MN-rgp120 to the α4β7 integrin was measured. Mutational analysis showed that eight of the MAbs recognized two immunodominant clusters of amino acids (166–168 and 178–183) located at either end of the C strand within the four-strand anti-parallel sheet structure comprising the V1/V2 domain. Conclusions/Significance These studies showed that the antigenic structure of the V2 domain is exceedingly complex and that MAbs isolated from mice immunized with MN-rgp120 exhibited a high level of strain specificity compared to MAbs to the V2 domain isolated from HIV-infected humans. We found that immunization with MN-rgp120 readily elicits antibodies to the V2 domain and some of these were able to block the binding of MN-rgp120 to the α4β7 integrin. PMID:22720026

Intrinsic quantum spin Hall and anomalous Hall effects in h-Sb/Bi epitaxial growth on a ferromagnetic MnO2 thin film.

PubMed

Zhou, Jian; Sun, Qiang; Wang, Qian; Kawazoe, Yoshiyuki; Jena, Puru

2016-06-07

Exploring a two-dimensional intrinsic quantum spin Hall state with a large band gap as well as an anomalous Hall state in realizable materials is one of the most fundamental and important goals for future applications in spintronics, valleytronics, and quantum computing. Here, by combining first-principles calculations with a tight-binding model, we predict that Sb or Bi can epitaxially grow on a stable and ferromagnetic MnO2 thin film substrate, forming a flat honeycomb sheet. The flatness of Sb or Bi provides an opportunity for the existence of Dirac points in the Brillouin zone, with its position effectively tuned by surface hydrogenation. The Dirac points in spin up and spin down channels split due to the proximity effects induced by MnO2. In the presence of both intrinsic and Rashba spin-orbit coupling, we find two band gaps exhibiting a large band gap quantum spin Hall state and a nearly quantized anomalous Hall state which can be tuned by adjusting the Fermi level. Our findings provide an efficient way to realize both quantized intrinsic spin Hall conductivity and anomalous Hall conductivity in a single material.

A four-component Fock-space coupled cluster investigation of the HM(CO)5, (M = Mn, Re) photoelectron spectra

NASA Astrophysics Data System (ADS)

Nikoobakht, Behnam; Siebert, Max; Pernpointner, Markus

2015-11-01

In this work, we readdress the photoelectron spectra of the HM(CO)5, (M=Mn, Re) carbonyl complexes by applying four-component Fock-space coupled cluster (FSCC) methods for their calculation in order to extend earlier studies based on less demanding approaches. The final-state characterisation was based on group theoretical considerations of the contributing orbitals and allowed for an unambiguous assignment. Energy level diagrams show the effect of spin-orbit (SO) coupling starting from scalar relativistic results and for the heavy representative HRe(CO)5 nonadditivity effects of SO and electron correlation can be observed requiring a consistent treatment of both contributions.

Influence of temperature and friction on the 22MnB5 formability under hot stamping conditions

NASA Astrophysics Data System (ADS)

Venturato, G.; Ghiotti, A.; Bruschi, S.

2018-05-01

The need to increase the safety and decrease the weight of the car body-in-white has determined the success of the direct hot stamping process as a primary technology for the automotive sector. Thanks to this process, parts with high strength-to-weight ratio can be obtained along with high stiffness and increase of the crashworthiness properties. Moreover, the thinner metal sheets used to manufacture the pieces lead to a decrease of the total weight of the car body-in-white, with a consequent reduction of the CO2 emissions. The direct hot stamping process is becoming the key to obtain pieces with high mechanical properties, thanks to the quenching stage that allows the manufacture of complex shapes characterized by a fully martensitic structure, thanks to the forming stage at elevated temperature and subsequent hardening inside the cooled dies. The aim of this paper is the investigation of the influence that the forming temperature may have on the formability of 22MnB5 steel sheets, commonly used in the hot stamping process of automotive components. Nakajima tests were carried out at different temperatures and the Forming Limit Diagrams (FLDs) at rupture were obtained and analysed. The temperature influenced both the major and the minor strain at which the sheet failed, indicating that not only the formability increased at increasing temperature, but there was also a modification of the strain path, which means a modification of the strain states through which the part passes during the deformation process. Moreover, the influence of friction is studied using a model developed in the LS-Dyna FEM environment. The obtained data are of great importance for an accurate calibration of Finite Element (FE) models of the hot stamping of real components in order to get optimal process parameters to obtain defects-free pieces.

76 FR 75902 - Notice of Inventory Completion: Minnesota Indian Affairs Council, Bemidji, MN

Federal Register 2010, 2011, 2012, 2013, 2014

2011-12-05

.... Bleichner donated the remains to the Carver County Historical Society. The remains were then transferred to... and Louis Powell of the Science Museum of Minnesota. In 1994 and 2010, the human remains were transferred from the Science Museum of Minnesota to the MIAC and assigned case number H259. No known...

Visualization of Motor Axon Navigation and Quantification of Axon Arborization In Mouse Embryos Using Light Sheet Fluorescence Microscopy.

PubMed

Liau, Ee Shan; Yen, Ya-Ping; Chen, Jun-An

2018-05-11

Spinal motor neurons (MNs) extend their axons to communicate with their innervating targets, thereby controlling movement and complex tasks in vertebrates. Thus, it is critical to uncover the molecular mechanisms of how motor axons navigate to, arborize, and innervate their peripheral muscle targets during development and degeneration. Although transgenic Hb9::GFP mouse lines have long served to visualize motor axon trajectories during embryonic development, detailed descriptions of the full spectrum of axon terminal arborization remain incomplete due to the pattern complexity and limitations of current optical microscopy. Here, we describe an improved protocol that combines light sheet fluorescence microscopy (LSFM) and robust image analysis to qualitatively and quantitatively visualize developing motor axons. This system can be easily adopted to cross genetic mutants or MN disease models with Hb9::GFP lines, revealing novel molecular mechanisms that lead to defects in motor axon navigation and arborization.

Redox Conditions in Selected Principal Aquifers of the United States

USGS Publications Warehouse

McMahon, P.B.; Cowdery, T.K.; Chapelle, F.H.; Jurgens, B.C.

2009-01-01

Reduction/oxidation (redox) processes affect the quality of groundwater in all aquifer systems. Redox processes can alternately mobilize or immobilize potentially toxic metals associated with naturally occurring aquifer materials, contribute to the degradation or preservation of anthropogenic contami-nants, and generate undesirable byproducts, such as dissolved manganese (Mn2+), ferrous iron (Fe2+), hydrogen sulfide (H2S), and methane (CH4). Determining the kinds of redox processes that occur in an aquifer system, documenting their spatial distribution, and understanding how they affect concentrations of natural or anthropogenic contaminants are central to assessing and predicting the chemical quality of groundwater. This Fact Sheet extends the analysis of U.S. Geological Survey authors to additional principal aquifer systems by applying a framework developed by the USGS to a larger set of water-quality data from the USGS national water databases. For a detailed explanation, see the 'Introduction' in the Fact Sheet.

Comparison of high MRI T1 signals with manganese concentration in brains of cynomolgus monkeys after 8 months of stainless steel welding-fume exposure.

PubMed

Park, Jung Duck; Chung, Yong Hyun; Kim, Choong Yong; Ha, Chang Soo; Yang, Seoung Oh; Khang, Hyun Soo; Yu, In Kyu; Cheong, Hae Kwan; Lee, Jong Seong; Song, Chang-Woo; Kwon, Il Hoon; Han, Jeong Hee; Sung, Jae Hyuck; Heo, Jeong Doo; Choi, Byung Sun; Im, Ruth; Jeong, Jayoung; Yu, Il Je

2007-09-01

Several pharmacokinetic studies on inhalation exposure to manganese (Mn) have already demonstrated that Mn readily accumulates in the olfactory and brain regions. However, a shortening of the magnetic resonance imaging (MRI) T1 relaxation time or high T1 signal intensity in specific sites of the brain, including the globus pallidus and subcortical frontal white matter, as indicative of tissue manganese accumulation has not yet been clearly established for certain durations of known doses of welding-fume exposure in experimental animals. Accordingly, to investigate the movement of manganese after welding-fume exposure, six cynomolgus monkeys were acclimated and assigned to three dose groups: unexposed, low dose (31 mg/m(3) total suspended particulate [TSP], 0.9 mg/m(3) of Mn), and high dose (62 mg/m(3) TSP, 1.95 mg/m(3) of Mn) of total suspended particulate. The primates were exposed to manual metal arc stainless steel (MMA-SS) welding fumes for 2 h per day in an inhalation chamber system equipped with an automatic fume generator. Magnetic resonance imaging (MRI) studies were conducted before the initiation of exposure and thereafter every month. The tissue Mn concentrations were then measured after a plateau was reached regarding the shortening of the MRI T1 relaxation time. A dose-dependent increase in the Mn concentration was found in the lungs, while noticeable increases in the Mn concentrations were found in certain tissues, such as the liver, kidneys, and testes. Slight increases in the Mn concentrations were found in the caudate, putamen, frontal lobe, and substantia nigra, while a dose-dependent noticeable increase was only found in the globus pallidus. Therefore, the present results indicated that a shortening of the MRI T1 relaxation time corresponded well with the Mn concentration in the globus pallidus after prolonged welding-fume exposure.

Chemical composition of individual aerosol particles in workplace air during production of manganese alloys.

PubMed

Gunst, S; Weinbruch, S; Wentzel, M; Ortner, H M; Skogstad, A; Hetland, S; Thomassen, Y

2000-02-01

Aerosol particle samples were collected at ELKEM ASA ferromanganese (FeMn) and silicomanganese (SiMn) smelters at Porsgrunn, Norway, during different production steps: raw material mixing, welding of protective steel casings, tapping of FeMn and slag, crane operation moving the ladles with molten metal, operation of the Metal Oxygen Refinement (MOR) reactor and casting of SiMn. Aerosol fractions were assessed for the analysis of the bulk elemental composition as well as for individual particle analysis. The bulk elemental composition was determined by inductively coupled plasma atomic emission spectrometry. For individual particle analysis, an electron microprobe was used in combination with wavelength-dispersive techniques. Most particles show a complex composition and cannot be attributed to a single phase. Therefore, the particles were divided into six groups according to their chemical composition: Group I, particles containing mainly metallic Fe and/or Mn; Group II, slag particles containing mainly Fe and/or Mn oxides; Group III, slag particles consisting predominantly of oxidized flux components such as Si, Al, Mg, Ca, Na and K; Group IV, particles consisting mainly of carbon; Group V, mixtures of particles from Groups II, III and IV; Group VI, mixtures of particles from Groups II and III. In raw material mixing, particles originating from the Mn ores were mostly found. In the welding of steel casings, most particles were assigned to Group II, Mn and Fe oxides. During the tapping of slag and metal, mostly slag particles from Group III were found (oxides of the flux components). During movement of the ladles, most particles came from Group II. At the MOR reactor, most of the particles belonged to the slag phase consisting of the flux components (Group III). The particles collected during the casting of SiMn were mainly attributed to the slag phase (Groups III and V). Due to the compositional complexity of the particles, toxicological investigations on the kinetics of pure compounds may not be easily associated with the results of this study.

Solar Energy Applications for Agriculture. A Curriculum Guide.

ERIC Educational Resources Information Center

Nebraska Univ., Lincoln. Dept. of Agricultural Education.

This curriculum guide contains five units for a course in solar energy applications for vocational agriculture. Each unit is organized in a format containing some or all of the following materials: unit objective, specific objectives, suggested instructor and student activities, list of instructional materials, assignment sheets, answers to…

Introduction to Natural Resources: Advanced Applications.

ERIC Educational Resources Information Center

Crummett, Dan

This guide, which is designed for use with student and teacher guides to a 10-unit secondary-level course in natural resources, contains a series of student supplements and advanced assignment and job sheets that provide students with additional opportunities to explore the following areas of natural resources and conservation education: outdoor…

Computer-Assisted Law Instruction: Clinical Education's Bionic Sibling

ERIC Educational Resources Information Center

Henn, Harry G.; Platt, Robert C.

1977-01-01

Computer-assisted instruction (CAI), like clinical education, has considerable potential for legal training. As an initial Cornell Law School experiment, a lesson in applying different corporate statutory dividend formulations, with a cross-section of balance sheets and other financial data, was used to supplement regular class assignments.…

Small Business Course for Older Americans. Student Handbook.

ERIC Educational Resources Information Center

American Association of Community and Junior Colleges, Washington, DC.

This student handbook was designed for a course which offers people aged 55 and older guidance in starting and operating a small business. Following introductory remarks concerning small businesses, information and assignment sheets related to each of the course's basic units are presented. Course units include the following: (1) Small Business…

Surgical Techniques. Second Edition. Teacher Edition.

ERIC Educational Resources Information Center

Bushey, Vicki; And Others

This instructor's manual contains 18 units of instruction for a course on surgical technology designed to include the entry-level competencies students need as a surgical technologist. Each unit includes some or all of the following basic components of a unit of instruction: objective sheet, suggested activities for the teacher, assignment sheets…

Development of powder metallurgy 2XXX series Al alloy plate and sheet materials for high temperature aircraft structural applications, FY 1983/1984

NASA Technical Reports Server (NTRS)

Chellman, D. J.

1985-01-01

The objective of this investigation is to fabricate and evaluate PM 2124 Al alloy plate and sheet materials according to NASA program goals for damage tolerance and fatigue resistance. Previous research has indicated the outstanding strength-toughness relationship available with PM 2124 Al-Zr modified alloy compositions in extruded product forms. The range of processing conditions was explored in the fabrication of plate and sheet gage materials, as well as the resultant mechanical and metallurgical properties. The PM composition based on Al-3.70 Cu-1.85 Mg-0.20 Mn with 0.60 wt. pct. Zr was selected. Flat rolled material consisting of 0.250 in. thick plate was fabricated using selected thermal mechanical treatments (TMT). The schedule of TMT operations was designed to yield the extreme conditions of grain structure normally encountered in the fabrication of flat rolled products, specifically recrystallized and unrecrystallized. The PM Al alloy plate and sheet materials exhibited improved strength properties at thin gages compared to IM Al alloys, as a consequence of their enhanced ability to inhibit recrystallization and grain growth. In addition, the PM 2124 Al alloys offer much better combinations of strength and toughnessover equivalent IM Al. The alloy microstructures were examined by optical metallographic texture techniques in order to establish the metallurgical basis for these significant property improvements.

Intraoperative use of a reflective blanket (Sirius rescue sheet) for temperature management in dogs less than 10 kg.

PubMed

Tünsmeyer, J; Bojarski, I; Nolte, I; Kramer, S

2009-07-01

To compare the effects of the Sirius rescue sheet with gel pads versus gel pads alone on intraoperative body temperature in dogs less than 10 kg. Forty small breed dogs undergoing elective surgical procedures were randomly assigned to two groups. One group was intraoperatively laid on warmed gel pads, and the other group was additionally wrapped in a Sirius rescue sheet. Oesophageal body temperature was determined every 10 minutes and compared between groups. Temperature of gel pads was measured preoperatively and postoperatively to compare heat loss of the gel pads between groups. The body temperature of dogs wrapped with the Sirius rescue sheet increased intraoperatively. In dogs just lying on warmed gel pads, a decrease in mean body temperature was revealed and mean body temperatures differed between groups after 40 minutes. Extent of heat loss from the gel pads did not differ between the groups. The Sirius rescue sheet, used in addition to warmed gel pads, led to higher intraoperative body temperatures in small breed dogs undergoing surgical procedures to the extremities and the head. The cost-effectiveness and ease of handling make this a useful addition to clinical practice.

The pH-dependent Structures of the Manganese Binding Sites in Oxalate Decarboxylase as Revealed by High-Field Electron Paramagnetic Resonance

PubMed Central

Tabares, Leandro C.; Gätjens, Jessica; Hureau, Christelle; Burrell, Matthew R.; Bowater, Laura; Pecoraro, Vincent L.; Bornemann, Stephen; Un, Sun

2009-01-01

A high-field electron paramagnetic resonance (HFEPR) study of oxalate decarboxylase (OxdC) is reported. OxdC breaks down oxalate to carbon dioxide and formate and possesses two distinct manganese(II) binding sites, referred to as site-1 and -2. The Mn(II) zero-field interaction was used to probe the electronic state of the metal ion and to examine chemical/mechanistic roles of each of the Mn(II) centers. High magnetic-fields were exploited not only to resolve the two sites, but also to measure accurately the Mn(II) zero-field parameters of each of the sites. The spectra exhibited surprisingly complex behavior as a function of pH. Six different species were identified based on their zero-field interactions, two corresponding to site-1 and four states to site-2. The assignments were verified using a mutant that only affected site-1. The speciation data determined from the HFEPR spectra for site -2 was consistent with a simple triprotic equilibrium model, while the pH dependence of site-1 could be described by a single pKa. This pH dependence was independent of the presence of the His-tag and of whether the preparations contained 1.2 or 1.6 Mn per subunit. Possible structures of the six species are proposed based on spectroscopic data from model complexes and existing protein crystallographic structures obtained at pH 8 are discussed. Although site-1 has been identified as the active site and no role has been assigned to site-2, the pronounced changes in the electronic structure of the latter and its pH behavior, which also matches the pH-dependent activity of this enzyme, suggests that even if the conversion of oxalate to formate is carried out at site-1, site-2 likely plays a catalytically relevant role. PMID:19505123

Oxoiron(IV) complexes as synthons for the assembly of heterobimetallic centers such as the Fe/Mn active site of Class Ic ribonucleotide reductases.

PubMed

Zhou, Ang; Crossland, Patrick M; Draksharapu, Apparao; Jasniewski, Andrew J; Kleespies, Scott T; Que, Lawrence

2018-01-01

Nonheme oxoiron(IV) complexes can serve as synthons for generating heterobimetallic oxo-bridged dimetal complexes by reaction with divalent metal complexes. The formation of Fe III -O-Cr III and Fe III -O-Mn III complexes is described herein. The latter complexes may serve as models for the Fe III -X-Mn III active sites of an emerging class of Fe/Mn enzymes represented by the Class 1c ribonucleotide reductase from Chlamydia trachomatis and the R2-like ligand-binding oxidase (R2lox) found in Mycobacterium tuberculosis. These synthetic complexes have been characterized by UV-Vis, resonance Raman, and X-ray absorption spectroscopy, as well as electrospray mass spectrometry. The Fe III -O-Cr III complexes exhibit a three-band UV-Vis pattern that differs from the simpler features associated with Fe III -O-Fe III complexes. The positions of these features are modulated by the nature of the supporting polydentate ligand on the iron center, and their bands intensify dramatically in two examples upon the binding of an axial cyanate or thiocyanate ligand trans to the oxo bridge. In contrast, the Fe III -O-Mn III complexes resemble Fe III -O-Fe III complexes more closely. Resonance Raman characterization of the Fe III -O-M III complexes reveals an 18 O-sensitive vibration in the range of 760-890 cm -1 . This feature has been assigned to the asymmetric Fe III -O-M III stretching mode and correlates reasonably with the Fe-O bond distance determined by EXAFS analysis. The likely binding of an acetate as a bridging ligand to the Fe III -O-Mn III complex 12 lays the foundation for further efforts to model the heterobimetallic active sites of Fe/Mn enzymes.

Quantum mechanics/molecular mechanics simulation of the ligand vibrations of the water-oxidizing Mn4CaO5 cluster in photosystem II.

PubMed

Nakamura, Shin; Noguchi, Takumi

2016-10-11

During photosynthesis, the light-driven oxidation of water performed by photosystem II (PSII) provides electrons necessary to fix CO 2 , in turn supporting life on Earth by liberating molecular oxygen. Recent high-resolution X-ray images of PSII show that the water-oxidizing center (WOC) is composed of an Mn 4 CaO 5 cluster with six carboxylate, one imidazole, and four water ligands. FTIR difference spectroscopy has shown significant structural changes of the WOC during the S-state cycle of water oxidation, especially within carboxylate groups. However, the roles that these carboxylate groups play in water oxidation as well as how they should be properly assigned in spectra are unresolved. In this study, we performed a normal mode analysis of the WOC using the quantum mechanics/molecular mechanics (QM/MM) method to simulate FTIR difference spectra on the S 1 to S 2 transition in the carboxylate stretching region. By evaluating WOC models with different oxidation and protonation states, we determined that models of high-oxidation states, Mn(III) 2 Mn(IV) 2 , satisfactorily reproduced experimental spectra from intact and Ca-depleted PSII compared with low-oxidation models. It is further suggested that the carboxylate groups bridging Ca and Mn ions within this center tune the reactivity of water ligands bound to Ca by shifting charge via their π conjugation.

Structural and spectroscopic properties of the polar antiferromagnet N i2MnTe O6

NASA Astrophysics Data System (ADS)

Retuerto, Maria; Skiadopoulou, Stella; Borodavka, Fedir; Kadlec, Christelle; Kadlec, Filip; Prokleška, Jan; Deng, Zheng; Alonso, Jose A.; Fernandez-Diaz, Maria T.; Saouma, Felix O.; Jang, Joon I.; Legut, Dominik; Kamba, Stanislav; Greenblatt, Martha

2018-04-01

We present a structural and spectroscopic study of the compound N i2MnTe O6 , closely related to the polar antiferromagnet N i3Te O6 known to show a colossal magnetoelectric effect and pronounced elementary magnetoelectric excitations. We prepared single crystals and polycrystalline samples of N i2MnTe O6 showing the same polar structure as N i3Te O6 from room temperature down to 4 K with the R 3 space-group symmetry. Magnetic and dielectric measurements have indicated an antiferromagnetic phase transition at TN≈70 K , almost 20 K higher than that of N i3Te O6 . Extensive infrared, Raman, and terahertz spectroscopy experiments were employed for investigating lattice and spin excitations, revealing all phonons predicted by the factor group analysis. Terahertz spectra below TN reveal one new excitation, which is strongly influenced by external magnetic field, thus assigned to a magnon.

Optical and magneto-optical studies of martensitic transformation in Ni-Mn-Ga magnetic shape memory alloys

NASA Astrophysics Data System (ADS)

Beran, L.; Cejpek, P.; Kulda, M.; Antos, R.; Holy, V.; Veis, M.; Straka, L.; Heczko, O.

2015-05-01

Optical and magneto-optical properties of single crystal of Ni50.1Mn28.4Ga21.5 magnetic shape memory alloy during its transformation from martensite to austenite phase were systematically studied. Crystal orientation was approximately along {100} planes of parent cubic austenite. X-ray reciprocal mapping confirmed modulated 10 M martensite phase. Temperature depended measurements of saturation magnetization revealed the martensitic transformation at 335 K during heating. Magneto-optical spectroscopy and spectroscopic ellipsometry were measured in the sample temperature range from 297 to 373 K and photon energy range from 1.2 to 6.5 eV. Magneto-optical spectra of polar Kerr rotation as well as the spectra of ellipsometric parameter Ψ exhibited significant changes when crossing the transformation temperature. These changes were assigned to different optical properties of Ni-Mn-Ga in martensite and austenite phases due to modification of electronic structure near the Fermi energy during martensitic transformation.

Infrared and Raman spectroscopic characterization of the silicate mineral olmiite CaMn2+[SiO3(OH)](OH) - implications for the molecular structure

NASA Astrophysics Data System (ADS)

Frost, Ray L.; Scholz, Ricardo; López, Andrés; Xi, Yunfei; Granja, Amanda; Žigovečki Gobac, Željka; Lima, Rosa Malena Fernandes

2013-12-01

We have studied the mineral olmiite CaMn[SiO3(OH)](OH) which forms a series with its calcium analogue poldervaartite CaCa[SiO3(OH)](OH) using a range of techniques including scanning electron microscopy, thermogravimetric analysis, Raman and infrared spectroscopy. Chemical analysis shows the mineral is pure and contains only calcium and manganese in the formula. Thermogravimetric analysis proves the mineral decomposes at 502 °C with a mass loss of 8.8% compared with the theoretical mass loss of 8.737%. A strong Raman band at 853 cm-1 is assigned to the SiO stretching vibration of the SiO3(OH) units. Two Raman bands at 914 and 953 cm-1 are attributed to the antisymmetric vibrations. Two intense Raman bands observed at 3511 and 3550 cm-1 are assigned to the OH stretching vibration of the SiO3(OH) units. The observation of multiple OH bands supports the concept of the non-equivalence of the OH units. Vibrational spectroscopy enables a detailed assessment of the molecular structure of olmiite.

A Hard X-ray Study of a Manganese-Terpyridine Dimer Catalyst in a Chromium-based Metal Organic Framework - Oral Presentation

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

Ramsey, Alexandra

2015-08-25

Cleaner forms of energy are needed, and H 2 produced from water spliFng is a possible source. However, a robust catalyst is necessary to carry out the water oxidaKon reacKon. Plants uKlize Photosystem II to catalyze water oxidaKon as a part of photosynthesis, and many syntheKc water oxidaKon catalysts use Photosystem II as a model. In this study, the catalyst of interest was [(terpy)Mn(μ-O)2Mn(terpy)]3+ (MnTD), which was synthesized in a chromium-based Metal Organic Framework (MOF) to avoid degradaKon of MnTD molecules. Hard X-ray powder diffracKon was the primary method of analysis. The diffracKon data was used to detect the presencemore » of MOF in samples at different catalyKc stages, and laFce parameters were assigned to the samples containing MOF. Fourier maps were constructed to determine the contents of the MOF as preliminary studies suggested that MnTD may not be present. Results showed that MOF is present before catalysis occurs, but disappears in the iniKal stages of catalysis. Changes in the MOF’s laFce parameters suggest aWracKve interacKons between the MOF and catalyst; these interacKons may lead to the observed MOF degradaKon. Fourier maps also reveal limited, if any, amounts of MnTD in the system. Molecular manganese oxide may be the source of the high rate of water oxidaKon catalysis in the studied system.« less

Semi- and thiosemicarbazide Mn(II) complexes: Characterization, DFT and biological studies

NASA Astrophysics Data System (ADS)

Yousef, T. A.; Alduaij, O. K.; Ahmed, Sara F.; Abu El-Reash, G. M.; El-Gammal, O. A.

2016-09-01

One NO and two NOS donor ligands have been prepared by addition ethanolic suspension of 2-hydrazino-2-oxo-N-phenyl-acetamide to phenyl isocyanate (H2PAPS), phenyl isothiocyanate (H2PAPT) and benzoyl isothiocyanate (H2PABT). The Mn (II) complexes were prepared from the chloride salt and characterized by conventional techniques. The isolated complexes were assigned the formulaes, [Mn(HPAPS)2], [Mn(HPAPT)Cl] and [Mn(HPABT)Cl(H2O)2], respectively. The IR study of ligands and their complexes shows that H2PAPS behaves as a mononegative tridentate via both CO of hydrazide moiety in keto and deprotonated enol form and CN (azomethine) due to enolization of CO cyanate moiety without deprotonation. H2PAPT behaves as mononegative tridentate via CO of hydrazide moiety, deprotonated thiol CS and NH group. Finally H2PABT behaves as mononegative tridentate via deprotonated enolized CO of hydrazide moiety, CO of benzoyl moiety and NH group. The IR spectra of ligands from DFT calculations are compared with those obtained experimentally. Also, HOMO, LUMO, the bond lengths, bond angles, and dipole moments have been calculated. The calculated HOMO-LUMO energy gap reveals that charge transfer occurs within the molecule. The binding energy values display the high stability of complexes. The kinetic and thermodynamic parameters were determined by Coats-Redfern and Horowitz-Metzger methods. The antibacterial activities were also tested against Bacillus subtilis and Escherichia coli bacteria. Finally, the antitumor activities of the Ligands and their Mn(II) complexes have been evaluated against liver (HePG2) and breast (MCF-7) cancer cells.

Measuring Discrimination in Education. NBER Working Paper No. 15057

ERIC Educational Resources Information Center

Hanna, Rema; Linden. Leigh

2009-01-01

In this paper, we illustrate a methodology to measure discrimination in educational contexts. In India, we ran an exam competition through which children compete for a large financial prize. We recruited teachers to grade the exams. We then randomly assigned child "characteristics" (age, gender, and caste) to the cover sheets of the…

The Effects of a Computerized Study Program on the Acquisition of Science Vocabulary

ERIC Educational Resources Information Center

Rollins, Karen F.

2012-01-01

The following study examined the difference in science vocabulary acquisition comparing computer-assisted learning and a traditional study review sheet. Fourth and fifth grade students from a suburban school in central Texas were randomly selected and randomly assigned to either experimental group or control group. Both groups were given a…

40 CFR 370.42 - What is Tier II inventory information?

Code of Federal Regulations, 2013 CFR

2013-07-01

... common name of the chemical as provided on the Material Safety Data Sheet and its Chemical Abstract....64(a). (2) Indicate whether the chemical is: pure or mixture; solid, liquid, or gas; and whether the... Inventory (TRI) and Risk Management Program. If your facility has not been assigned an identification number...

Exploring Norms and Moral Authority through Content Analysis of Classic Texts.

ERIC Educational Resources Information Center

Wallace, Richard Cheever

1993-01-01

Describes a class assignment for a college-level sociology course in which students read from religious texts to identify norms and sanctions. Reports that students expressed positive comments about the activity. Includes suggestions for preparing materials, instructions for implementing the activity, and a coding sheet to be used by students.…

Thermal analysis and vibrational spectroscopic characterization of the boro silicate mineral datolite - CaBSiO4(OH)

NASA Astrophysics Data System (ADS)

Frost, Ray L.; Xi, Yunfei; Scholz, Ricardo; Lima, Rosa Malena Fernandes; Horta, Laura Frota Campos; Lopez, Andres

2013-11-01

The objective of this work is to determine the thermal stability and vibrational spectra of datolite CaBSiO4(OH) and relate these properties to the structure of the mineral. The thermal analysis of datolite shows a mass loss of 5.83% over a 700-775 °C temperature range. This mass loss corresponds to 1 water (H2O) molecules pfu. A quantitative chemical analysis using electron probe was undertaken. The Raman spectrum of datolite is characterized by bands at 917 and 1077 cm-1 assigned to the symmetric stretching modes of BO and SiO tetrahedra. A very intense Raman band is observed at 3498 cm-1 assigned to the stretching vibration of the OH units in the structure of datolite. BOH out-of-plane vibrations are characterized by the infrared band at 782 cm-1. The vibrational spectra are based upon the structure of datolite based on sheets of four- and eight-membered rings of alternating SiO4 and BO3(OH) tetrahedra with the sheets bonded together by calcium atoms.

Incorporation of ice sheet models into an Earth system model: Focus on methodology of coupling

NASA Astrophysics Data System (ADS)

Rybak, Oleg; Volodin, Evgeny; Morozova, Polina; Nevecherja, Artiom

2018-03-01

Elaboration of a modern Earth system model (ESM) requires incorporation of ice sheet dynamics. Coupling of an ice sheet model (ICM) to an AOGCM is complicated by essential differences in spatial and temporal scales of cryospheric, atmospheric and oceanic components. To overcome this difficulty, we apply two different approaches for the incorporation of ice sheets into an ESM. Coupling of the Antarctic ice sheet model (AISM) to the AOGCM is accomplished via using procedures of resampling, interpolation and assigning to the AISM grid points annually averaged meanings of air surface temperature and precipitation fields generated by the AOGCM. Surface melting, which takes place mainly on the margins of the Antarctic peninsula and on ice shelves fringing the continent, is currently ignored. AISM returns anomalies of surface topography back to the AOGCM. To couple the Greenland ice sheet model (GrISM) to the AOGCM, we use a simple buffer energy- and water-balance model (EWBM-G) to account for orographically-driven precipitation and other sub-grid AOGCM-generated quantities. The output of the EWBM-G consists of surface mass balance and air surface temperature to force the GrISM, and freshwater run-off to force thermohaline circulation in the oceanic block of the AOGCM. Because of a rather complex coupling procedure of GrIS compared to AIS, the paper mostly focuses on Greenland.

A New Secondary Structure Assignment Algorithm Using Cα Backbone Fragments

PubMed Central

Cao, Chen; Wang, Guishen; Liu, An; Xu, Shutan; Wang, Lincong; Zou, Shuxue

2016-01-01

The assignment of secondary structure elements in proteins is a key step in the analysis of their structures and functions. We have developed an algorithm, SACF (secondary structure assignment based on Cα fragments), for secondary structure element (SSE) assignment based on the alignment of Cα backbone fragments with central poses derived by clustering known SSE fragments. The assignment algorithm consists of three steps: First, the outlier fragments on known SSEs are detected. Next, the remaining fragments are clustered to obtain the central fragments for each cluster. Finally, the central fragments are used as a template to make assignments. Following a large-scale comparison of 11 secondary structure assignment methods, SACF, KAKSI and PROSS are found to have similar agreement with DSSP, while PCASSO agrees with DSSP best. SACF and PCASSO show preference to reducing residues in N and C cap regions, whereas KAKSI, P-SEA and SEGNO tend to add residues to the terminals when DSSP assignment is taken as standard. Moreover, our algorithm is able to assign subtle helices (310-helix, π-helix and left-handed helix) and make uniform assignments, as well as to detect rare SSEs in β-sheets or long helices as outlier fragments from other programs. The structural uniformity should be useful for protein structure classification and prediction, while outlier fragments underlie the structure–function relationship. PMID:26978354

First-principles calculations of the electronic, vibrational, and elastic properties of the magnetic laminate Mn₂GaC

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

Thore, A., E-mail: andth@ifm.liu.se; Dahlqvist, M., E-mail: madah@ifm.liu.se, E-mail: bjoal@ifm.liu.se, E-mail: johro@ifm.liu.se; Alling, B., E-mail: madah@ifm.liu.se, E-mail: bjoal@ifm.liu.se, E-mail: johro@ifm.liu.se

2014-09-14

In this paper, we report the by first-principles predicted properties of the recently discovered magnetic MAX phase Mn₂GaC. The electronic band structure and vibrational dispersion relation, as well as the electronic and vibrational density of states, have been calculated. The band structure close to the Fermi level indicates anisotropy with respect to electrical conductivity, while the distribution of the electronic and vibrational states for both Mn and Ga depend on the chosen relative orientation of the Mn spins across the Ga sheets in the Mn–Ga–Mn trilayers. In addition, the elastic properties have been calculated, and from the five elastic constants,more » the Voigt bulk modulus is determined to be 157 GPa, the Voigt shear modulus 93 GPa, and the Young's modulus 233 GPa. Furthermore, Mn₂GaC is found relatively elastically isotropic, with a compression anisotropy factor of 0.97, and shear anisotropy factors of 0.9 and 1, respectively. The Poisson's ratio is 0.25. Evaluated elastic properties are compared to theoretical and experimental results for M₂AC phases where M = Ti, V, Cr, Zr, Nb, Ta, and A = Al, S, Ge, In, Sn.« less

Welded-Ag-nanowires/FTO conducting film with high transmittance and its application in transparent supercapacitors

NASA Astrophysics Data System (ADS)

Qiao, Zhensong; Yang, Xiaopeng; Liu, Feng; Duan, Guangbin; Cao, Bingqiang

2017-03-01

Silver nanowires (AgNW) with a small diameter were synthesized by a facile and novel polyol reduction method. Ag nanowires ink was then spun on the surface of F-doped SnO2 (FTO) to form the AgNW/FTO conducting film. Welding treatment of the AgNW/FTO conducting film not only increased the optical transmittance from 71.9 % to 79.3 % at 550 nm and decreased the sheet resistance from 11.4 ohm sq-1 to 9.8 ohm sq-1, but also improved the adhesivity of AgNW network on FTO substrate. Furthermore, MnO2 nanosheets were directly deposited on welded-AgNW/FTO (wAF) substrate to prepare a transparent MnO2/weled-AgNW/FTO (MwAF) composite electrode. The MwAF electrode displayed excellent electrochemical performance, including high specific capacitance (375 F g-1 at 5 mV s-1) and superior cycle stability (173.3 % of the initial capacitance after 20000 GCD cycles).

Effect of Cooling Rate on the Microstructure and Mechanical Properties of C-Mn-Al-Si-Nb Hot-Rolled TRIP Steels

NASA Astrophysics Data System (ADS)

Fu, B.; Y Lu, M.; Y Yang, W.; Li, L. F.; Y Zhao, Z.

2017-12-01

A novel thermomechanical process to manufacture hot-rolled TRIP steels has been proposed based on dynamic transformation of undercooled austenite (DTUA). The cooling rate between DTUA and isothermal bainitic treatment in the novel process is important. In the present study, effect of this cooling rate on the final microstructures and mechanical properties of a C-Mn-Al-Si-Nb TRIP steel was investigated. The results showed that the volume fractions of acicular ferrite and retained austenite were increased with the increment of cooling rate. As a consequence, higher yield strength and larger total elongation were obtained for the investigated steel with higher cooling rate. In addition, a value of 30.24 GPa% for the product of tensile strength and total elongation was acquired when the cooling rate was 25 K/s. This value has met the standard of the “Third Generation” of advanced high strength sheet steels.

Pseudosymmetric fac-di­aqua­trichlorido[(di­methyl­phosphor­yl)methanaminium-κO]manganese(II)

PubMed Central

Reiss, Guido J.

2013-01-01

In the title compound, [Mn(C3H11NOP)Cl3(H2O)2], the MnII metal center has a distorted o­cta­hedral geometry, coordinated by the three chloride ligands showing a facial arrangement. Two water mol­ecules and the O-coordinated dpmaH cation [dpmaH = (di­methyl­phosphor­yl)methanaminium] complete the coordination sphere. Each complex mol­ecule is connected to its neighbours by O—H⋯Cl and N—H⋯Cl hydrogen bonds. Two of the chloride ligands and the two water ligands form a hydrogen-bonded polymeric sheet in the ab plane. Furthermore, these planes are connected to adjacent planes by hydrogen bonds from the aminium function of cationic dpmaH ligand. A pseudo-mirror plane perpendicular to the b axis in the chiral space group P21 is observed together with inversion twinning [ratio = 0.864 (5):0.136 (5)]. PMID:23723764

Characterization of M-type barium hexagonal ferrite-based wide band microwave absorber

NASA Astrophysics Data System (ADS)

Meshram, M. R.; Agrawal, Nawal K.; Sinha, Bharoti; Misra, P. S.

2004-05-01

This paper present the design, development and characterization of the hexagonal ferrite powder [BaCo 0.5δTi 0.5δMn 0.1Fe (11.87-δ)O 19] and [Ba(MnTi) δFe (12-2δ)O 19] at δ=1.6 as a microwave absorber. The hexagonal ferrite powder has been developed by dry attrition and sintering procedure. The developed ferrite powder 60% by weight has been mixed in epoxy resin to form a microwave-absorbing paint. This paint was coated on a conducting aluminum sheet to study the absorption characteristics of a linearly polarized TE wave at X band. The results for single- and two-layer microwave absorbers for different coating thicknesses have been reported. It has been found that it shows the broadband characteristics with minimum absorption of 8 dB from 8 to 12 GHz for a coating thickness of 2 mm.These paints are very useful in military applications such as RCS reduction, camouflaging of the target and prevention of EMI, etc.

Improvement of system capacitance via weavable superelastic biscrolled yarn supercapacitors

PubMed Central

Choi, Changsoon; Kim, Kang Min; Kim, Keon Jung; Lepró, Xavier; Spinks, Geoffrey M.; Baughman, Ray H.; Kim, Seon Jeong

2016-01-01

Yarn-based supercapacitors having improved performance are needed for existing and emerging wearable applications. Here, we report weavable carbon nanotube yarn supercapacitors having high performance because of high loadings of rapidly accessible charge storage particles (above 90 wt% MnO2). The yarn electrodes are made by a biscrolling process that traps host MnO2 nanoparticles within the galleries of helically scrolled carbon nanotube sheets, which provide strength and electrical conductivity. Despite the high loading of brittle metal oxide particles, the biscrolled solid-state yarn supercapacitors are flexible and can be made elastically stretchable (up to 30% strain) by over-twisting to produce yarn coiling. The maximum areal capacitance of the yarn electrodes were up to 100 times higher than for previously reported fibres or yarn supercapacitors. Similarly, the energy density of complete, solid-state supercapacitors made from biscrolled yarn electrodes with gel electrolyte coating were significantly higher than for previously reported fibre or yarn supercapacitors. PMID:27976668

Improvement of system capacitance via weavable superelastic biscrolled yarn supercapacitors.

PubMed

Choi, Changsoon; Kim, Kang Min; Kim, Keon Jung; Lepró, Xavier; Spinks, Geoffrey M; Baughman, Ray H; Kim, Seon Jeong

2016-12-15

Yarn-based supercapacitors having improved performance are needed for existing and emerging wearable applications. Here, we report weavable carbon nanotube yarn supercapacitors having high performance because of high loadings of rapidly accessible charge storage particles (above 90 wt% MnO 2 ). The yarn electrodes are made by a biscrolling process that traps host MnO 2 nanoparticles within the galleries of helically scrolled carbon nanotube sheets, which provide strength and electrical conductivity. Despite the high loading of brittle metal oxide particles, the biscrolled solid-state yarn supercapacitors are flexible and can be made elastically stretchable (up to 30% strain) by over-twisting to produce yarn coiling. The maximum areal capacitance of the yarn electrodes were up to 100 times higher than for previously reported fibres or yarn supercapacitors. Similarly, the energy density of complete, solid-state supercapacitors made from biscrolled yarn electrodes with gel electrolyte coating were significantly higher than for previously reported fibre or yarn supercapacitors.

Transition-metal dispersion on carbon-doped boron nitride nanostructures: Applications for high-capacity hydrogen storage

NASA Astrophysics Data System (ADS)

Chen, Ming; Zhao, Yu-Jun; Liao, Ji-Hai; Yang, Xiao-Bao

2012-07-01

Using density-functional theory calculations, we investigated the adsorption of transition-metal (TM) atoms (TM = Sc, Ti, V, Cr, Mn, Fe, Co, and Ni) on carbon doped hexagonal boron nitride (BN) sheet and the corresponding cage (B12N12). With carbon substitution of nitrogen, Sc, V, Cr, and Mn atoms were energetically favorable to be dispersed on the BN nanostructures without clustering or the formation of TM dimers, due to the strong binding between TM atoms and substrate, which contains the half-filled levels above the valence bands maximum. The carbon doped BN nanostructures with dispersed Sc could store up to five and six H2, respectively, with the average binding energy of 0.3 ˜ 0.4 eV, indicating the possibility of fabricating hydrogen storage media with high capacity. We also demonstrated that the geometrical effect is important for the hydrogen storage, leading to a modulation of the charge distributions of d levels, which dominates the binding between H2 and TM atoms.

Metal oxidation states in biological water splitting.

PubMed

Krewald, Vera; Retegan, Marius; Cox, Nicholas; Messinger, Johannes; Lubitz, Wolfgang; DeBeer, Serena; Neese, Frank; Pantazis, Dimitrios A

2015-03-01

A central question in biological water splitting concerns the oxidation states of the manganese ions that comprise the oxygen-evolving complex of photosystem II. Understanding the nature and order of oxidation events that occur during the catalytic cycle of five S i states ( i = 0-4) is of fundamental importance both for the natural system and for artificial water oxidation catalysts. Despite the widespread adoption of the so-called "high-valent scheme"-where, for example, the Mn oxidation states in the S 2 state are assigned as III, IV, IV, IV-the competing "low-valent scheme" that differs by a total of two metal unpaired electrons ( i.e. III, III, III, IV in the S 2 state) is favored by several recent studies for the biological catalyst. The question of the correct oxidation state assignment is addressed here by a detailed computational comparison of the two schemes using a common structural platform and theoretical approach. Models based on crystallographic constraints were constructed for all conceivable oxidation state assignments in the four (semi)stable S states of the oxygen evolving complex, sampling various protonation levels and patterns to ensure comprehensive coverage. The models are evaluated with respect to their geometric, energetic, electronic, and spectroscopic properties against available experimental EXAFS, XFEL-XRD, EPR, ENDOR and Mn K pre-edge XANES data. New 2.5 K 55 Mn ENDOR data of the S 2 state are also reported. Our results conclusively show that the entire S state phenomenology can only be accommodated within the high-valent scheme by adopting a single motif and protonation pattern that progresses smoothly from S 0 (III, III, III, IV) to S 3 (IV, IV, IV, IV), satisfying all experimental constraints and reproducing all observables. By contrast, it was impossible to construct a consistent cycle based on the low-valent scheme for all S states. Instead, the low-valent models developed here may provide new insight into the over-reduced S states and the states involved in the assembly of the catalytically active water oxidizing cluster.

CuO, MnO2 and Fe2O3 doped biomass ash as silica source for glass production in Thailand

NASA Astrophysics Data System (ADS)

Srisittipokakun, N.; Ruangtaweep, Y.; Rachniyom, W.; Boonin, K.; Kaewkhao, J.

In this research, glass productions from rice husk ash (RHA) and the effect of BaO, CuO, MnO2 and Fe2O3 on physical and optical properties were investigated. All properties were compared with glass made from SiO2 using same preparations. The results show that a higher density and refractive index of BaO, CuO, MnO2 and Fe2O3 doped in RHA glasses were obtained, compared with SiO2 glasses. The optical spectra show no significant difference between both glasses. The color of CuO glasses show blue from the absorption band near 800 nm (2B1g → 2B2g) due to Cu2+ ion in octahedral coordination with a strong tetragonal distortion. The color of MnO2 glasses shows brown from broad band absorption at around 500 nm. This absorption band is assigned to a single allowed 5Eg → 5T2g transition which arises from the Mn3+ ions (3d4 configuration) in octahedral symmetry. The yellow color derives from F2O3 glass due to the homogeneous distribution of Fe3+ (460 nm) and Fe2+ (1050 nm) ions in the glass matrices. Glass production from RHA is possible and is a new option for recycling waste from biomass power plant systems and air pollution reduction.

Valuing Exercises for the Middle School. Resource Monograph No. 11.

ERIC Educational Resources Information Center

Casteel, J. Doyle; And Others

One of the major goals of the middle school is to help students gain and refine skills in the area of values clarification. One way of securing such value clarification is to plan and assign value sheets--carefully planned and written activities designed to elicit value clarification patterns of language usage from students. Six different formats…

Military Curriculum Materials for Vocational and Technical Education. Fundamentals of Electricity, 3-7.

ERIC Educational Resources Information Center

Ohio State Univ., Columbus. National Center for Research in Vocational Education.

This self-paced correspondence course for independent study in electricity was adapted from military curriculum materials for use in vocational education. This basic course is designed to provide the student with some fundamentals of electricity--not with specific job skills. The seven lessons of the course each have a lesson assignment sheet with…

On the problem of resonance assignments in solid state NMR of uniformly 15N, 13C-labeled proteins

NASA Astrophysics Data System (ADS)

Tycko, Robert

2015-04-01

Determination of accurate resonance assignments from multidimensional chemical shift correlation spectra is one of the major problems in biomolecular solid state NMR, particularly for relative large proteins with less-than-ideal NMR linewidths. This article investigates the difficulty of resonance assignment, using a computational Monte Carlo/simulated annealing (MCSA) algorithm to search for assignments from artificial three-dimensional spectra that are constructed from the reported isotropic 15N and 13C chemical shifts of two proteins whose structures have been determined by solution NMR methods. The results demonstrate how assignment simulations can provide new insights into factors that affect the assignment process, which can then help guide the design of experimental strategies. Specifically, simulations are performed for the catalytic domain of SrtC (147 residues, primarily β-sheet secondary structure) and the N-terminal domain of MLKL (166 residues, primarily α-helical secondary structure). Assuming unambiguous residue-type assignments and four ideal three-dimensional data sets (NCACX, NCOCX, CONCA, and CANCA), uncertainties in chemical shifts must be less than 0.4 ppm for assignments for SrtC to be unique, and less than 0.2 ppm for MLKL. Eliminating CANCA data has no significant effect, but additionally eliminating CONCA data leads to more stringent requirements for chemical shift precision. Introducing moderate ambiguities in residue-type assignments does not have a significant effect.

Deglacial temperature history of West Antarctica

NASA Astrophysics Data System (ADS)

Cuffey, Kurt M.; Clow, Gary D.; Steig, Eric J.; Buizert, Christo; Fudge, T. J.; Koutnik, Michelle; Waddington, Edwin D.; Alley, Richard B.; Severinghaus, Jeffrey P.

2016-12-01

The most recent glacial to interglacial transition constitutes a remarkable natural experiment for learning how Earth’s climate responds to various forcings, including a rise in atmospheric CO2. This transition has left a direct thermal remnant in the polar ice sheets, where the exceptional purity and continual accumulation of ice permit analyses not possible in other settings. For Antarctica, the deglacial warming has previously been constrained only by the water isotopic composition in ice cores, without an absolute thermometric assessment of the isotopes’ sensitivity to temperature. To overcome this limitation, we measured temperatures in a deep borehole and analyzed them together with ice-core data to reconstruct the surface temperature history of West Antarctica. The deglacial warming was 11.3±1.8∘11.3±1.8∘C, approximately two to three times the global average, in agreement with theoretical expectations for Antarctic amplification of planetary temperature changes. Consistent with evidence from glacier retreat in Southern Hemisphere mountain ranges, the Antarctic warming was mostly completed by 15 kyBP, several millennia earlier than in the Northern Hemisphere. These results constrain the role of variable oceanic heat transport between hemispheres during deglaciation and quantitatively bound the direct influence of global climate forcings on Antarctic temperature. Although climate models perform well on average in this context, some recent syntheses of deglacial climate history have underestimated Antarctic warming and the models with lowest sensitivity can be discounted.

Ion Mobility Measurements of Multianionic Metalloporphyrin Dimers: Structural Changes Induced by Countercation Exchange

NASA Astrophysics Data System (ADS)

Schneider, Erik; Brendle, Katrina; Jäger, Patrick; Weis, Patrick; Kappes, Manfred M.

2018-04-01

We present gas-phase structures of dimers of MnIII and FeIII meso-tetra(4-sulfonatophenyl)porphyrin multianions with various amounts of sodium and hydrogen counterions. The structural assignments are achieved by combining mass spectrometry, ion mobility measurements, quantum chemical calculations, and trajectory method collision cross section calculations. For a common charge state, we observe significant topological variations in the dimer structures of [(MTPPS)2+nX](6-n)- (M=MnIII, FeIII; X=H, Na; n = 1-3) induced by replacing hydrogen counterions by sodium. For sodium, the dimer structures are much more compact, a finding that can be rationalized by the stronger interactions of the sodium cations with the anionic sulfonic acid groups of the porphyrins as compared to hydrogen. [Figure not available: see fulltext.

Interaction of ammonium with birnessite: Evidence of a chemical and structural transformation in alkaline aqueous medium

NASA Astrophysics Data System (ADS)

Boumaiza, Hella; Coustel, Romain; Despas, Christelle; Ruby, Christian; Bergaoui, Latifa

2018-02-01

The ammonium cation interaction with Na-birnessite in aqueous alkaline medium was studied. Solution and solid analysis give evidence that birnessite is not only acting as a cationic exchanger toward NH4+. The surface analysis performed by XPS showed that N1s spectra are characterized by the existence of two different environments: one assignable to an interlayer NH4+ and the second to a chemisorbed N-species. Structural and chemical transformations were observed on birnessite with nitrogen mass balance deficit. The monitoring of NH4+, Na+, Mn2+, NO3- and NO2- and solid changes (average oxidation state of Mn, cation exchange capacity, solid nitrogen content and symmetry evolution identified by XRD and FTIR) indicate unambiguously that NH4+ reacts chemically with the birnessite.

Modeling the global emission, transport and deposition of trace elements associated with mineral dust

DOE PAGES

Zhang, Y.; Mahowald, N.; Scanza, R. A.; ...

2015-10-12

Trace element deposition from desert dust has important impacts on ocean primary productivity, the quantification of which could be useful in determining the magnitude and sign of the biogeochemical feedback on radiative forcing. However, the impact of elemental deposition to remote ocean regions is not well understood and is not currently included in global climate models. In this study, emission inventories for eight elements primarily of soil origin, Mg, P, Ca, Mn, Fe, K, Al, and Si are determined based on a global mineral data set and a soil data set. The resulting elemental fractions are used to drive themore » desert dust model in the Community Earth System Model (CESM) in order to simulate the elemental concentrations of atmospheric dust. Spatial variability of mineral dust elemental fractions is evident on a global scale, particularly for Ca. Simulations of global variations in the Ca / Al ratio, which typically range from around 0.1 to 5.0 in soils, are consistent with observations, suggesting that this ratio is a good signature for dust source regions. The simulated variable fractions of chemical elements are sufficiently different; estimates of deposition should include elemental variations, especially for Ca, Al and Fe. The model results have been evaluated with observations of elemental aerosol concentrations from desert regions and dust events in non-dust regions, providing insights into uncertainties in the modeling approach. The ratios between modeled and observed elemental fractions range from 0.7 to 1.6, except for Mg and Mn (3.4 and 3.5, respectively). Using the soil database improves the correspondence of the spatial heterogeneity in the modeling of several elements (Ca, Al and Fe) compared to observations. Total and soluble dust element fluxes to different ocean basins and ice sheet regions have been estimated, based on the model results. The annual inputs of soluble Mg, P, Ca, Mn, Fe and K associated with dust using the mineral data set are 0.30 Tg, 16.89 Gg, 1.32 Tg, 22.84 Gg, 0.068 Tg, and 0.15 Tg to global oceans and ice sheets.« less

Amine-controlled assembly of metal-sulfite architecture from 1D chains to 3D framework.

PubMed

Austria, Cristina; Zhang, Jian; Valle, Henry; Zhang, Qichun; Chew, Emily; Nguyen, Dan-Tam; Gu, J Y; Feng, Pingyun; Bu, Xianhui

2007-08-06

Whereas open-framework materials have been made in a variety of chemical compositions, few are known in which 3-connected SO3(2)- anions serve as basic building units. Here, we report four new metal-sulfite polymeric structures, (ZnSO3)Py (1, py = pyridine), (ZnSO3)2(2,2'-bipy)H2O (2, 2,2'-bipy = 2,2'-bipyridine), (ZnSO3)2(TMDPy) (3, TMDPy = 4,4'-trimethylenedipyridine), and (MnSO3)2en (4, en = ethylenediamine) that have been synthesized hydrothermally and structurally characterized. In these compounds, low-dimensional 1D and 2D inorganic subunits are assembled into higher 2D or 3D covalent frameworks by organic ligands. In addition to the structure-directing effect of organic ligands, the flexible coordination chemistry of Zn2+ and SO3(2)- also contributes to the observed structural diversity. In compounds 1-3, Zn2+ sites alternate with trigonal pyramidal SO3(2)- anions to form three types of [ZnSO3]n chains, whereas in compound 4, a 2D-corrugated [MnSO3]n layer is present. Compound 1 features a rail-like chain with pendant pyridine rings. The pi-pi interaction between 2,2'-bipy ligands is found between adjacent chains in compound 2, resulting in 2D sheets that are further stacked through interlayer hydrogen bonds. Compound 3 exhibits a very interesting inorganic [(ZnSO3)2]n chain constructed from two chairlike subunits, and such chains are bridged by TMDPy ligands into a 2D sheet. In compound 4, side-by-side helical chains permeate through 2D-corrugated [MnSO3]n layers, which are pillared by neutral ethylenediamine molecules into a 3D framework that can be topologically represented as a (3,6)-connected net. The results presented here illustrate the rich structural chemistry of metal-sulfites and the potential of sulfite anions as a unique structural building block for the construction of novel open-framework materials, in particular, those containing polymeric inorganic subunits that may have interesting physical properties such as low-dimensional magnetism or electronic properties.

EnviroAtlas - Minneapolis/St. Paul, MN - Ecosystem Services by Block Group

EPA Pesticide Factsheets

This EnviroAtlas dataset presents environmental benefits of the urban forest in 1,772 block groups in Minneapolis/St. Paul, Minnesota. Carbon attributes, temperature reduction, pollution removal and value, and runoff effects are calculated for each block group using i-Tree models (www.itreetools.org), local weather data, pollution data, EPA provided city boundary and land cover data, and U.S. Census derived block group boundary data. This dataset was produced by the US Forest Service to support research and online mapping activities related to EnviroAtlas. EnviroAtlas (https://www.epa.gov/enviroatlas) allows the user to interact with a web-based, easy-to-use, mapping application to view and analyze multiple ecosystem services for the contiguous United States. The dataset is available as downloadable data (https://edg.epa.gov/data/Public/ORD/EnviroAtlas) or as an EnviroAtlas map service. Additional descriptive information about each attribute in this dataset can be found in its associated EnviroAtlas Fact Sheet (https://www.epa.gov/enviroatlas/enviroatlas-fact-sheets).

EnviroAtlas - Minneapolis/St. Paul, MN - Estimated Intersection Density of Walkable Roads

EPA Pesticide Factsheets

This EnviroAtlas dataset estimates the intersection density of walkable roads within a 750 meter radius of any given 10 meter pixel in the community. Intersections are defined as any point where 3 or more roads meet and density is calculated using kernel density, where closer intersections are weighted higher than further intersections. Intersection density is highly correlated with walking for transportation. This dataset was produced by the US EPA to support research and online mapping activities related to EnviroAtlas. EnviroAtlas (https://www.epa.gov/enviroatlas) allows the user to interact with a web-based, easy-to-use, mapping application to view and analyze multiple ecosystem services for the contiguous United States. The dataset is available as downloadable data (https://edg.epa.gov/data/Public/ORD/EnviroAtlas) or as an EnviroAtlas map service. Additional descriptive information about each attribute in this dataset can be found in its associated EnviroAtlas Fact Sheet (https://www.epa.gov/enviroatlas/enviroatlas-fact-sheets).

Effect of Strengthening Mechanism on Strain-Rate Related Tensile Properties of Low-Carbon Sheet Steels for Automotive Application

NASA Astrophysics Data System (ADS)

Das, Anindya; Biswas, Pinaki; Tarafder, S.; Chakrabarti, D.; Sivaprasad, S.

2018-05-01

In order to ensure crash resistance of the steels used in automotive components, the ensile deformation behavior needs to be studied and predicted not only under quasi-static condition, but also under dynamic loading rates. In the present study, tensile tests have been performed on four different automobile grade sheet steels, namely interstitial free steel, dual-phase 600 and 800, and a carbon manganese steel over the strain rate regime of 0.001-800/s. Apart from the variation in strength (which always increased with strain rate), the effect of strengthening mechanism on strain rate sensitivity and strain hardening behavior has been evaluated. Strain rate sensitivity was found to increase at high-strain rate regime for all the steels. Contribution of solid solution hardening on strain rate sensitivity at lower plastic strains was found to be higher compared to dislocation strengthening and second-phase hardening. However, precipitation hardening coupled with solid solution hardening produced the highest strain rate sensitivity, in C-Mn-440 steel at high strain rates. Different strain-rate-sensitive models which take into account the change in yield stress and strain hardening behavior with strain rate for ductile materials were used to predict the flow behavior of these sheet steels at strain rates up to 800/s.

Learning in depth with the bespoke rubric-supported online poster presentation

NASA Astrophysics Data System (ADS)

Lajevardipour, Alireza; Wood, Andrew

2017-08-01

In our course of Biomedical Imaging, we introduced a research project as an assignment that included an online poster presentation. To assess the assignment, an adjusted criteria sheet was created, where it facilitated providing students with an effective feedback linked to particular criteria. Students are expected to produce a scientific poster to present the result of their investigation and upload it to an online discussion board. In addition, they are required to read their colleagues' works and provide peer-feedback by asking quality questions about principles and results, also on-line. Subtle distribution of marks in the rubric balances focus between preparing poster and providing peer-feedbacks.

Production and Isomeric Distribution of Xanthylium Cation Pigments and Their Precursors in Wine-like Conditions: Impact of Cu(II), Fe(II), Fe(III), Mn(II), Zn(II), and Al(III).

PubMed

Guo, Anque; Kontoudakis, Nikolaos; Scollary, Geoffrey R; Clark, Andrew C

2017-03-22

This study establishes the influence of Cu(II), Fe(II), Fe(III), Zn(II), Al(III), and Mn(II) on the oxidative production of xanthylium cations from (+)-catechin and either tartaric acid or glyoxylic acid in model wine systems. The reaction was studied at 25 °C using UHPLC and LC-HRMS for the analysis of phenolic products and their isomeric distribution. In addition to the expected products, a colorless product, tentatively assigned as a lactone, was detected for the first time. The results show the importance of Fe ions and a synergistic influence of Mn(II) in degrading tartaric acid to glyoxylic acid, whereas the other metal ions had minimal activity in this mechanistic step. Fe(II) and Fe(III) were shown to mediate the (+)-catechin-glyoxylic acid addition reaction, a role previously attributed to only Cu(II). Importantly, the study demonstrates that C-8 addition products of (+)-catechin are promoted by Cu(II), whereas C-6 addition products are promoted by Fe ions.

Mir-17-3p Controls Spinal Neural Progenitor Patterning by Regulating Olig2/Irx3 Cross-repressive Loop

PubMed Central

Chen, Jun-An; Huang, Yuan-Ping; Mazzoni, Esteban O.; Tan, G. Christopher; Zavadil, Jiri; Wichterle, Hynek

2011-01-01

SUMMARY Neural patterning relies on transcriptional cross-repressive interactions that ensure unequivocal assignment of neural progenitor identity to proliferating cells. Progenitors of spinal motor neurons (pMN) and V2 interneurons (p2) are specified by a pair of cross-repressive transcription factors Olig2 and Irx3. Lineage tracing revealed that many p2 progenitors transiently express the pMN marker Olig2 during spinal cord development. Here we demonstrate that the repression of Olig2 in p2 domain is controlled by mir-17-3p microRNA-mediated silencing of Olig2 mRNA. Mice lacking all microRNAs or just the mir-17~92 cluster manifest a dorsal shift in pMN/p2 boundary and impairment in the production of V2 interneurons. Our findings suggest that microRNA-mediated repression of Olig2 mRNA plays a critical role during the patterning of ventral spinal progenitor domains by shifting the balance of cross-repressive interactions between Olig2 and Irx3 transcription factors. PMID:21338882

Synthesis, characterization and molecular modeling of some transition metal complexes of Schiff base derived from 5-aminouracil and 2-benzoyl pyridine

NASA Astrophysics Data System (ADS)

Abdel-Monem, Yasser K.; Abouel-Enein, Saeyda A.; El-Seady, Safa M.

2018-01-01

Multidentate Schiff base (H2L) ligand results from condensation of 5-aminouracil and 2-benzoyl pyridine and its metal chloride (Mn(II), Co(II), Ni(II), Cu(II), Zn(II), Pd(II), Fe(III), Cr(III), Ru(III), Zr(IV) and Hf(IV)) complexes were prepared. The structural features of the ligand and its metal complexes were confirmed by elemental analyses, spectroscopic methods (IR, UV-Vis, 1H NMR, mass), magnetic moment measurements and thermal studies. The data refer to the ligand coordinates with metal ions in a neutral form and shows different modes of chelation toward the metal atom. All complexes have octahedral skeleton structure, tetrahedrally Mn(II), Ni(II), trigonalbipyramidal Co(II) and square planner Pd(II). Thermal decomposition of complexes as well as the interaction of different types of solvent of crystallization are assigned by thermogravimetric analysis. Molecular modeling of prepared complexes were investigated to study the expected anticancer activities of the prepared complexes. All metal complexes have no interaction except the complexes of Pd(II), Fe(III) and Mn(II).

Neonatal C57BL/6J and parkin mice respond differently following developmental manganese exposure: Result of a high dose pilot study.

PubMed

Foster, Melanie L; Bartnikas, Thomas B; Maresca-Fichter, Hailey C; Mercadante, Courtney; Dash, Miriam; Miller, Chelsea; Dorman, David C

2018-01-01

It has been suggested that childhood exposure to neurotoxicants may increase the risk of Parkinson's disease (PD) or other neurodegenerative disease in adults. Some recessive forms of PD have been linked to loss-of-function mutations in the Park2 gene that encodes for parkin. The purpose of this pilot study was to evaluate whether responses to neonatal manganese (Mn) exposure differ in mice with a Park2 gene defect (parkin mice) when compared with a wildtype strain (C57BL/6J). Neonatal parkin and C57BL/6J littermates were randomly assigned to 0, 11, or 25mg Mn/kg-day dose groups with oral exposures occurring from postnatal day (PND) 1 through PND 28. Motor activity was measured on PND 19-22 and 29-32. Tissue Mn concentrations were measured in liver, femur, olfactory bulb, frontal cortex, and striatum on PND 29. Hepatic and frontal cortex gene expression of Slc11a2, Slc40a1, Slc30a10, Hamp (liver only), and Park2 were also measured on PND 29. Some strain differences were seen. As expected, decreased hepatic and frontal cortex Park2 expression was seen in the parkin mice when compared with C57BL/6J mice. Untreated parkin mice also had higher liver and femur Mn concentrations when compared with the C57BL/6J mice. Exposure to≥11mg Mn/kg-day was associated with increased brain Mn concentrations in all mice, no strain difference was observed. Manganese exposure in C57Bl6, but not parkin mice, was associated with a negative correlation between striatal Mn concentration and motor activity. Manganese exposure was not associated with changes in frontal cortex gene expression. Decreased hepatic Slc30a10, Slc40a1, and Hamp expression were seen in PND 29 C57BL/6J mice given 25mg Mn/kg-day. In contrast, Mn exposure was only associated with decreased Hamp expression in the parkin mice. Our results suggest that the Parkin gene defect did not increase the susceptibility of neonatal mice to adverse health effects associated with high-dose Mn exposure. Copyright © 2017 Elsevier B.V. All rights reserved.

An improved diffusion welding technique for TD-NiCr

NASA Technical Reports Server (NTRS)

Holko, K. H.

1973-01-01

An improved diffusion welding technique has been developed for TD-NiCr sheet. In the most preferred form, the improved technique consists of diffusion welding 320-grit sanded plus chemically polished surfaces of unrecrystallized TD-NiCr at 760 C under 140 MN/m2 pressure for 1hr followed by postheating at 1180 C for 2hr. Compared to previous work, this improved technique has the advantages of shorter welding time, lower welding temperature, lower welding pressure, and a simpler and more reproducible surface preparation procedure. Weldments were made that had parent-metal creep-rupture shear strength at 1100 C.

Large areal mass, flexible and free-standing reduced graphene oxide/manganese dioxide paper for asymmetric supercapacitor device.

PubMed

Sumboja, Afriyanti; Foo, Ce Yao; Wang, Xu; Lee, Pooi See

2013-05-28

Well-separated RGO sheets decorated with MnO2 nanoparticles facilitate easy access of the electrolyte ions to the high surface area of the paper electrode, enabling the fabrication of a thicker electrode with heavier areal mass and higher areal capacitance (up to 897 mF cm(-2) ). The electrochemical performance of the bent asymmetric device with a total active mass of 15 mg remains similar to the one in the flat configuration, demonstrating good mechanical robustness of the device. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Sequence-specific sup 1 H NMR resonance assignments of Bacillus subtilis HPr: Use of spectra obtained from mutants to resolve spectral overlap

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

Wittekind, M.; Klevit, R.E.; Reizer, J.

1990-08-07

On the basis of an analysis of two-dimensional {sup 1}H NMR spectra, the complete sequence-specific {sup 1}H NMR assignments are presented for the phosphocarrier protein HPr from the Gram-positive bacterium Bacillus subtilis. During the assignment procedure, extensive use was made of spectra obtained from point mutants of HPr in order to resolve spectral overlap and to provide verification of assignments. Regions of regular secondary structure were identified by characteristic patterns of sequential backbone proton NOEs and slowly exchanging amide protons. B subtilis HPr contains four {beta}-strands that form a single antiparallel {beta}-sheet and two well-defined {alpha}-helices. There are two stretchesmore » of extended backbone structure, one of which contains the active site His{sub 15}. The overall fold of the protein is very similar to that of Escherichia coli HPr determined by NMR studies.« less

A vibrational spectroscopic study of the anhydrous phosphate mineral sidorenkite Na3Mn(PO4)(CO3)

NASA Astrophysics Data System (ADS)

Frost, Ray L.; López, Andrés; Scholz, Ricardo; Belotti, Fernanda Maria; Xi, Yunfei

2015-02-01

Sidorenkite is a very rare low-temperature hydrothermal mineral, formed very late in the crystallization of hyperagpaitic pegmatites in a differentiated alkalic massif (Mt. Alluaiv, Kola Peninsula, Russia). Sidorenkite Na3Mn(PO4)(CO3) is a phosphate-carbonate of sodium and manganese. Such a formula with two oxyanions lends itself to vibrational spectroscopy. The sharp Raman band at 959 cm-1 and 1012 cm-1 are assigned to the PO43- stretching modes, whilst the Raman bands at 1044 cm-1 and 1074 cm-1 are attributed to the CO32- stretching modes. It is noted that no Raman bands at around 800 cm-1 for sidorenkite were observed. The infrared spectrum of sidorenkite shows a quite intense band at 868 cm-1 with other resolved component bands at 850 and 862 cm-1. These bands are ascribed to the CO32- out-of-plane bend (ν2) bending mode. The series of Raman bands at 622, 635, 645 and 704 cm-1 are assigned to the ν4 phosphate bending modes. The observation of multiple bands supports the concept of a reduction in symmetry of the carbonate anion from D3h or even C2v.

Prevention of postsurgical scars: comparsion of efficacy and convenience between silicone gel sheet and topical silicone gel.

PubMed

Kim, Sue-Min; Choi, Jung-Sik; Lee, Jung-Ho; Kim, Young-Jin; Jun, Young-Joon

2014-11-01

To date, few studies have compared the effectiveness of topical silicone gels versus that of silicone gel sheets in preventing scars. In this prospective study, we compared the efficacy and the convenience of use of the 2 products. We enrolled 30 patients who had undergone a surgical procedure 2 weeks to 3 months before joining the study. These participants were randomly assigned to 2 treatment arms: one for treatment with a silicone gel sheet, and the other for treatment with a topical silicone gel. Vancouver Scar Scale (VSS) scores were obtained for all patients; in addition, participants completed scoring patient questionnaires 1 and 3 months after treatment onset. Our results reveal not only that no significant difference in efficacy exists between the 2 products but also that topical silicone gels are more convenient to use. While previous studies have advocated for silicone gel sheets as first-line therapies in postoperative scar management, we maintain that similar effects can be expected with topical silicone gel. The authors recommend that, when clinicians have a choice of silicone-based products for scar prevention, they should focus on each patient's scar location, lifestyle, and willingness to undergo scar prevention treatment.

Ultrathin two-dimensional MnO2/graphene hybrid nanostructures for high-performance, flexible planar supercapacitors.

PubMed

Peng, Lele; Peng, Xu; Liu, Borui; Wu, Changzheng; Xie, Yi; Yu, Guihua

2013-05-08

Planar supercapacitors have recently attracted much attention owing to their unique and advantageous design for 2D nanomaterials based energy storage devices. However, improving the electrochemical performance of planar supercapacitors still remains a great challenge. Here we report for the first time a novel, high-performance in-plane supercapacitor based on hybrid nanostructures of quasi-2D ultrathin MnO2/graphene nanosheets. Specifically, the planar structures based on the δ-MnO2 nanosheets integrated on graphene sheets not only introduce more electrochemically active surfaces for absorption/desorption of electrolyte ions, but also bring additional interfaces at the hybridized interlayer areas to facilitate charge transport during charging/discharging processes. The unique structural design for planar supercapacitors enables great performance enhancements compared to graphene-only devices, exhibiting high specific capacitances of 267 F/g at current density of 0.2 A/g and 208 F/g at 10 A/g and excellent rate capability and cycling stability with capacitance retention of 92% after 7000 charge/discharge cycles. Moreover, the high planar malleability of planar supercapacitors makes possible superior flexibility and robust cyclability, yielding capacitance retention over 90% after 1000 times of folding/unfolding. Ultrathin 2D nanomaterials represent a promising material platform to realize highly flexible planar energy storage devices as the power back-ups for stretchable/flexible electronic devices.

Double channel emission from a redox active single component quantum dot complex.

PubMed

Bhandari, Satyapriya; Roy, Shilaj; Pramanik, Sabyasachi; Chattopadhyay, Arun

2015-01-13

Herein we report the generation and control of double channel emission from a single component system following a facile complexation reaction between a Mn(2+) doped ZnS colloidal quantum dot (Qdot) and an organic ligand (8-hydroxy quinoline; HQ). The double channel emission of the complexed quantum dot-called the quantum dot complex (QDC)-originates from two independent pathways: one from the complex (ZnQ2) formed on the surface of the Qdot and the other from the dopant Mn(2+) ions of the Qdot. Importantly, reaction of ZnQ2·2H2O with the Qdot resulted in the same QDC formation. The emission at 500 nm with an excitation maximum at 364 nm is assigned to the surface complex involving ZnQ2 and a dangling sulfide bond. On the other hand, the emission at 588 nm-with an excitation maximum at 330 nm-which is redox tunable, is ascribed to Mn(2+) dopant. The ZnQ2 complex while present in QDC has superior thermal stability in comparison to the bare complex. Interestingly, while the emission of Mn(2+) was quenched by an electron quencher (benzoquinone), that due to the surface complex remained unaffected. Further, excitation wavelength dependent tunability in chromaticity color coordinates makes the QDC a potential candidate for fabricating a light emitting device of desired color output.

Further exploration of the conformational space of α-synuclein fibrils: solid-state NMR assignment of a high-pH polymorph.

PubMed

Verasdonck, Joeri; Bousset, Luc; Gath, Julia; Melki, Ronald; Böckmann, Anja; Meier, Beat H

2016-04-01

Polymorphism is a common and important phenomenon for protein fibrils which has been linked to the appearance of strains in prion and other neurodegenerative diseases. Parkinson disease is a frequently occurring neurodegenerative pathology, tightly associated with the formation of Lewy bodies. These deposits mainly consist of α-synuclein in fibrillar, β-sheet-rich form. α-synuclein is known to form numerous different polymorphs, which show distinct structural features. Here, we describe the chemical shift assignments, and derive the secondary structure, of a polymorph that was fibrillized at higher-than-physiological pH conditions. The fibrillar core contains residues 40-95, with both the C- and N-terminus not showing any ordered, rigid parts. The chemical shifts are similar to those recorded previously for an assigned polymorph that was fibrillized at neutral pH.

Ax(H3O)2-xMn5(HPO3)6 (A = Li, Na, K and NH4): open-framework manganese(ii) phosphites templated by mixed cationic species.

PubMed

Orive, Joseba; Fernández de Luis, Roberto; Fernández, Jesús Rodríguez; Lezama, Luis; Arriortua, María I

2016-07-26

Ax(H3O)2-xMn5(HPO3)6 (A = Li, x = 0.55 (1-Li); A = Na, x = 0.72 (2-Na); A = K, x = 0.30 (3-K); A = NH4, x = 0.59 (4-NH4)) phases were synthesized by employing mild hydrothermal conditions. 1-Li was studied by single crystal X-ray diffraction, while sodium, potassium and ammonium containing analogues were obtained as polycrystalline samples and characterized by powder X-ray diffraction. The four compounds were characterized by ICP-Q-MS, thermal analysis and XPS, IR, UV/Vis and EPR spectroscopy. Single crystal data indicate that 1-Li crystallizes in the P3[combining macron]c1 space group with lattice parameters a = 10.3764(1) Å and c = 9.4017(1) Å with Z = 2. The crystal structure of these phases is constituted by a three-dimensional [Mn(ii)5(HPO3)6](2-) anionic skeleton templated by alkali metal and ammonium cations together with protonated water molecules. Such an inorganic framework is formed by layers of edge-sharing MnO6 octahedra placed in the ab plane and joined along the c direction through phosphite pseudotetrahedra. The sheets display 12-membered ring channels parallel to the c-axis, ca. 5 Å in diameter, where the extraframework species display a strong disorder. EPR measurements point to the existence of short range ferromagnetic interactions around 12 K. Magnetic susceptibility and heat capacity measurements show that all the compounds exhibit long range antiferromagnetic order below circa 4 K, with a significant magnetocaloric effect around the Neel temperature.

Investigation of structural and luminescent properties of Ce{sup 3+}/Mn{sup 2+} ions-doped Ca{sub 5}(PO{sub 4}){sub 3}F

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

Zhang, Lei; Fu, Zuoling, E-mail: zlfu@jlu.edu.cn; Wu, Zhijian

Graphical abstract: The structural and luminescent properties FAP: Ce{sup 3+} and FAP: Ce{sup 3+}, Mn{sup 2+} were investigated in detail by the spectral measurement and theoretical calculation. The emission of Ce{sup 3+} is fitted by two Gaussian functions dashed lines in wavenumber to further confirm the Ce{sup 3+} ion simultaneously occupy the 4f and 6h sites Ca{sub 5}(PO{sub 4})F host. - Highlights: • A simple hydrothermal method has been used to prepare Ca{sub 5}(PO{sub 4}){sub 3}F: Ce{sup 3+}, Mn{sup 2+} powders with structural and luminescent analysis. • The emission of Ce{sup 3+} is fitted by two Gaussian functions to confirmmore » the Ce{sup 3+} ion simultaneously to occupy the 4f and 6h sites in Ca{sub 5}(PO{sub 4}){sub 3}F host. • Due to an efficient energy transfer, the existence of Ce{sup 3+} (sensitizer) can dramatically enhance the green emission of Mn{sup 2+} (activator) in co-doped samples. - Abstract: Ce{sup 3+}/Mn{sup 2+} ions-doped oxyapatite calcium fluorapatite [Ca{sub 5}(PO{sub 4}){sub 3}F, FAP] has been successfully synthesized by a facile one-step hydrothermal method. The luminescent properties of Ce{sup 3+}- and Ce{sup 3+}/Mn{sup 2+}- activated FAP phosphors were investigated using the photoluminescence (PL) and photoluminescence excitation (PLE) spectra. The emission of Ce{sup 3+} was fitted by two Gaussian functions with dashed lines in wavenumber to confirm the Ce{sup 3+} ion simultaneously to occupy the 4f and 6h sites in Ca{sub 5}(PO{sub 4}){sub 3}F host, which was consistent with the calculated results of crystal field based on chemical bond theory. In addition, the existence of Ce{sup 3+} (sensitizer) can dramatically enhance the green emission of Mn{sup 2+} (activator) in Ce{sup 3+}/Mn{sup 2+} ions co-doped samples due to an efficient energy transfer from Ce{sup 3+} to Mn{sup 2+}. All of these results could help us understand the site assignments and optical properties of the rare earth ions doped in hexagonal Ca{sub 5}(PO{sub 4}){sub 3}F.« less

The Stress Corrosion Resistance and the Cryogenic Temperature Mechanical Behavior of 18-3 Mn (Nitronic 33) Stainless Steel Parent and Welded Material

NASA Technical Reports Server (NTRS)

Montano, J. W.

1976-01-01

The ambient and cryogenic temperature mechanical properties and the ambient temperature stress corrosion results of 18-3 Mn (Nitronic 33)stainless steel, longitudinal and transverse, as received and as welded (TIG) material specimens manufactured from 0.063 inch thick sheet material, were described. The tensile test results indicate an increase in ultimate tensile and yield strengths with decreasing temperature. The elongation remained fairly constant to -200 F, but below that temperature the elongation decreased to less than 6.0% at liquid hydrogen temperature. The notched tensile strength (NTS) for the parent metal increased with decreasing temperature to liquid nitrogen temperature. Below -320 F the NTS decreased rapidly. The notched/unnotched (N/U) tensile ratio of the parent material specimens remained above 0.9 from ambient to -200 F, and decreased to approximately 0.65 and 0.62, respectively, for the longitudinal and transverse directions at liquid hydrogen temperature. After 180 days of testing, only those specimens exposed to the salt spray indicated pitting and some degradation of mechanical properties.

Evaluation of Weldability for MAG and LASER with Galvannealed Steel.

PubMed

Kim, Jong-Hee; Bang, Han-Sur; Bang, Hee-Seon

2018-03-01

Lower-arm, one of the components in automotive suspension module, has been fabricated by MAG welding in general which is lap jointed with 2 mm thick galvannealed steel sheet (SGAPH440). This welding process produces some problems such as significantly much spatters and weld defects of porosity in welded joint, which degrades productivity and weldability. Therefore, in order to solve these problems, this study has been tried to apply two types of solid wires with different chemical composition rate of Si and Mn, in MAG welding process. Moreover, the laser welding process has been adopted to fabricate the low-arm and compared with those of MAG welding, in terms of mechanical and metallurgical characteristics. It was observed that in MAG welded joints, much more spatters were occurred in using solid wire with higher Si and Mn contains. The maximum tensile-shear strength in laser welded joints was approximately 16.7 kN, which was almost equal to that of in MAG welded joints. The microstructure showed ferrite and martensite in weld metal in MAG and laser welded joints indicating no significantly grain size change.

Raman spectroscopy of the mineral rhodonite.

PubMed

Mills, Stuart J; Frost, Ray L; Kloprogge, J Theo; Weier, Matt L

2005-11-01

The mineral rhodonite an orthosilicate has been characterised by Raman spectroscopy. The Raman spectra of three rhodonites from Broken Hill, Pachapaqui and Franklin were compared and found to be similar. The spectra are characterised by an intense band at around 1000 cm(-1) assigned to the nu(1) symmetric stretching mode and three bands at 989, 974 and 936 cm(-1) assigned to the nu(3) antisymmetric stretching modes of the SiO(4) units. An intense band at around 667 cm(-1) was assigned to the nu(4) bending mode and showed additional bands exhibiting loss of degeneracy of the SiO(4) units. The low wave number region of rhodonite is complex. A strong band at 421.9 cm(-1) is attributed to the nu(2) bending mode. The spectra of the three rhodonite mineral samples are similar but subtle differences are observed. It is proposed that these differences depend upon the cationic substitution of Mn by Ca and/or Fe(2+) and Mg.

Surfactant-treated graphene covered polyaniline nanowires for supercapacitor electrode

NASA Astrophysics Data System (ADS)

Rajagopalan, Balasubramaniyan; Hur, Seung Hyun; Chung, Jin Suk

2015-04-01

Surfactant-treated graphene/polyaniline (G/PANI) nanocomposites were prepared by the MnO2 template-aided oxidative polymerization of aniline (ANI) on the surfactant-treated graphene sheets. The electrochemical performances of the G/PANI nanocomposites in a three-electrode system using an aqueous sulfuric acid as an electrolyte exhibited a specific capacitance of 436 F g-1 at 1 A g-1, which is much higher than the specific capacitance of pure PANI (367 F g-1). Such a higher specific capacitance of the G/PANI nanocomposite inferred an excellent synergistic effect of respective pseudocapacitance and electrical double-layer capacitance of PANI and graphene.

Matrix Infrared Spectra of Manganese and Iron Isocyanide Complexes.

PubMed

Chen, Xiuting; Li, Qingnuan; Andrews, Lester; Gong, Yu

2017-11-22

Mono and diisocyanide complexes of manganese and iron were prepared via the reactions of laser-ablated manganese and iron atoms with (CN) 2 in an argon matrix. Product identifications were performed based on the characteristic infrared absorptions from isotopically labeled (CN) 2 experiments as compared with computed values for both cyanides and isocyanides. Manganese atoms reacted with (CN) 2 to produce Mn(NC) 2 upon λ > 220 nm irradiation, during which MnNC was formed mainly as a result of the photoinduced decomposition of Mn(NC) 2 . Similar reaction products FeNC and Fe(NC) 2 were formed during the reactions of Fe and (CN) 2 . All the product molecules together with the unobserved cyanide isomers were predicted to have linear geometries at the B3LYP level of theory. The cyanide complexes of manganese and iron were computed to be more stable than the isocyanide isomers with energy differences between 0.4 and 4 kcal/mol at the CCSD(T) level. Although manganese and iron cyanide molecules are slightly more stable according to the theory, no absorption can be assigned to these isomers in the region above the isocyanides possibly due to their low infrared intensities.

HIGH-RESOLUTION FOURIER-TRANSFORM MICROWAVE SPECTROSCOPY OF METHYL- AND DIMETHYLNAPTHALENES

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

Schnitzler, Elijah G.; Zenchyzen, Brandi L. M.; Jäger, Wolfgang, E-mail: wolfgang.jaeger@ualberta.ca

High-resolution pure rotational spectra of four alkylnaphthalenes were measured in the range of 6–15 GHz using a molecular-beam Fourier-transform microwave spectrometer. Both a- and b-type transitions were observed for 1-methylnaphthalene (1-MN), 1,2-dimethylnaphthalene (1,2-DMN), and 1,3-dimethylnaphthalene (1,3-DMN); only a-type transitions were observed for 2-methylnaphthalene (2-MN). Geometry optimization and vibrational analysis calculations at the B3LYP/6-311++G(d,p) level of theory aided in the assignments of the spectra and the characterization of the structures. Differences between the experimental and predicted rotational constants are small, and they can be attributed in part to low-lying out-of-plane vibrations, which distort the alkylnaphthalenes out of their equilibrium geometries. Splittingsmore » of rotational lines due to methyl internal rotation were observed in the spectra of 2-MN, 1,2-DMN, and 1,3-DMN, and allowed for the determination of the barriers to methyl internal rotation, which are compared to values from density functional theory calculations. All four species are moderately polar, so they are candidate species for detection by radio astronomy, by targeting the transition frequencies reported here.« less

An efficient randomized algorithm for contact-based NMR backbone resonance assignment.

PubMed

Kamisetty, Hetunandan; Bailey-Kellogg, Chris; Pandurangan, Gopal

2006-01-15

Backbone resonance assignment is a critical bottleneck in studies of protein structure, dynamics and interactions by nuclear magnetic resonance (NMR) spectroscopy. A minimalist approach to assignment, which we call 'contact-based', seeks to dramatically reduce experimental time and expense by replacing the standard suite of through-bond experiments with the through-space (nuclear Overhauser enhancement spectroscopy, NOESY) experiment. In the contact-based approach, spectral data are represented in a graph with vertices for putative residues (of unknown relation to the primary sequence) and edges for hypothesized NOESY interactions, such that observed spectral peaks could be explained if the residues were 'close enough'. Due to experimental ambiguity, several incorrect edges can be hypothesized for each spectral peak. An assignment is derived by identifying consistent patterns of edges (e.g. for alpha-helices and beta-sheets) within a graph and by mapping the vertices to the primary sequence. The key algorithmic challenge is to be able to uncover these patterns even when they are obscured by significant noise. This paper develops, analyzes and applies a novel algorithm for the identification of polytopes representing consistent patterns of edges in a corrupted NOESY graph. Our randomized algorithm aggregates simplices into polytopes and fixes inconsistencies with simple local modifications, called rotations, that maintain most of the structure already uncovered. In characterizing the effects of experimental noise, we employ an NMR-specific random graph model in proving that our algorithm gives optimal performance in expected polynomial time, even when the input graph is significantly corrupted. We confirm this analysis in simulation studies with graphs corrupted by up to 500% noise. Finally, we demonstrate the practical application of the algorithm on several experimental beta-sheet datasets. Our approach is able to eliminate a large majority of noise edges and to uncover large consistent sets of interactions. Our algorithm has been implemented in the platform-independent Python code. The software can be freely obtained for academic use by request from the authors.

NMR analysis of cross strand aromatic interactions in an 8 residue hairpin and a 14 residue three stranded β-sheet peptide.

PubMed

Sonti, Rajesh; Rai, Rajkishor; Ragothama, Srinivasarao; Balaram, Padmanabhan

2012-12-13

Cross strand aromatic interactions between a facing pair of phenylalanine residues in antiparallel β-sheet structures have been probed using two structurally defined model peptides. The octapeptide Boc-LFV(D)P(L)PLFV-OMe (peptide 1) favors the β-hairpin conformation nucleated by the type II' β-turn formed by the (D)Pro-(L)Pro segment, placing Phe2 and Phe7 side chains in proximity. Two centrally positioned (D)Pro-(L)Pro segments facilitate the three stranded β-sheet formation in the 14 residue peptide Boc-LFV(D)P(L)PLFVA(D)P(L)PLFV-OMe (peptide 2) in which the Phe2/Phe7 orientations are similar to that in the octapeptide. The anticipated folded conformations of peptides 1 and 2 are established by the delineation of intramolecularly hydrogen bonded NH groups and by the observation of specific cross strand NOEs. The observation of ring current shifted aromatic protons is a diagnostic of close approach of the Phe2 and Phe7 side chains. Specific assignment of aromatic proton resonances using HSQC and HSQC-TOCSY methods allow an analysis of interproton NOEs between the spatially proximate aromatic rings. This approach facilitates specific assignments in systems containing multiple aromatic rings in spectra at natural abundance. Evidence is presented for a dynamic process which invokes a correlated conformational change about the C(α)-C(β)(χ(1)) bond for the pair of interacting Phe residues. NMR results suggest that aromatic ring orientations observed in crystals are maintained in solution. Anomalous temperature dependence of ring current induced proton chemical shifts suggests that solvophobic effects may facilitate aromatic ring clustering in apolar solvents.

Enhanced osseointegration of titanium implants in a rat model of osteoporosis using multilayer bone mesenchymal stem cell sheets

PubMed Central

Duan, Yan; Ma, Wei; Li, Dehua; Wang, Tongfei; Liu, Baolin

2017-01-01

The present study aimed to investigate whether bone marrow-derived mesenchymal stem cell (BMSC) sheets combined with titanium implants enhanced implant osseointegration in an ovariectomized (OVX) rat model of osteoporosis. Sprague-Dawley rats were randomly assigned into a test group and control group. Allogenic BMSCs were collected from the rats, cultured and stored via cryopreservation. At 6 months post-ovariectomy, establishment of the OVX model was confirmed by micro-computed tomography (CT) measurements. BMSC sheets were subsequently layered and wrapped over titanium implants for implantation. Unmodified implants served as the control. At 8 weeks post-implantation, samples were observed by micro-CT reconstruction and histomorphometric evaluation. Micro-CT reconstruction identified a marked improvement in the surrounding bone volume following treatment, with data analyses indicating a significant increase in bone volume in the BMSC-implant group compared with the control implant group (P<0.05). In addition, histological staining identified new bone formation and an increased rate of bone-implant contact surrounding the BMSC-implant constructs. These results indicate that the use of BMSC sheets as a novel tissue engineering approach improves the osseointegration of titanium implants in an osteoporosis model. This method may expand the operative indications in patients with osteoporosis and improve the success rate of clinical dental implant treatments. PMID:29250137

The cosmic web and the orientation of angular momenta

NASA Astrophysics Data System (ADS)

Libeskind, Noam I.; Hoffman, Yehuda; Knebe, Alexander; Steinmetz, Matthias; Gottlöber, Stefan; Metuki, Ofer; Yepes, Gustavo

2012-03-01

We use a 64 h-1 Mpc dark-matter-only cosmological simulation to examine the large-scale orientation of haloes and substructures with respect to the cosmic web. A web classification scheme based on the velocity shear tensor is used to assign to each halo in the simulation a web type: knot, filament, sheet or void. Using ˜106 haloes that span ˜3 orders of magnitude in mass, the orientation of the halo's spin and the orbital angular momentum of subhaloes with respect to the eigenvectors of the shear tensor is examined. We find that the orbital angular momentum of subhaloes tends to align with the intermediate eigenvector of the velocity shear tensor for all haloes in knots, filaments and sheets. This result indicates that the kinematics of substructures located deep within the virialized regions of a halo is determined by its infall which in turn is determined by the large-scale velocity shear, a surprising result given the virialized nature of haloes. The non-random nature of subhalo accretion is thus imprinted on the angular momentum measured at z= 0. We also find that the haloes' spin axis is aligned with the third eigenvector of the velocity shear tensor in filaments and sheets: the halo spin axis points along filaments and lies in the plane of cosmic sheets.

Raman spectroscopic study of the mineral qingheiite Na2(Mn2+,Mg,Fe2+)2(Al,Fe3+)(PO4)3, a pegmatite phosphate mineral from Santa Ana pegmatite, Argentina.

PubMed

Frost, Ray L; Xi, Yunfei; Scholz, Ricardo; López, Andrés; Moreira, Caio; de Lena, Jorge Carvalho

2013-10-01

The pegmatite mineral qingheiite Na2(Mn(2+),Mg,Fe(2+))2(Al,Fe(3+))(PO4)3 has been studied by a combination of SEM and EMP, Raman and infrared spectroscopy. The studied sample was collected from the Santa Ana pegmatite, Argentina. The mineral occurs as a primary mineral in lithium bearing pegmatite, in association with beausite and lithiophilite. The Raman spectrum is characterized by a very sharp intense Raman band at 980 cm(-1) assigned to the PO4(3-) symmetric stretching mode. Multiple Raman bands are observed in the PO4(3-) antisymmetric stretching region, providing evidence for the existence of more than one phosphate unit in the structure of qingheiite and evidence for the reduction in symmetry of the phosphate units. This concept is affirmed by the number of bands in the ν4 and ν2 bending regions. No intensity was observed in the OH stretching region in the Raman spectrum but significant intensity is found in the infrared spectrum. Infrared bands are observed at 2917, 3195, 3414 and 3498 cm(-1) are assigned to water stretching vibrations. It is suggested that some water is coordinating the metal cations in the structure of qingheiite. Copyright © 2013 Elsevier B.V. All rights reserved.

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

Fogh, R.H.; Mabbutt, B.C.; Kem, W.R.

Sequence-specific assignments are reported for the 500-MHz H nuclear magnetic resonance (NMR) spectrum of the 48-residue polypeptide neurotoxin I from the sea anemone Stichodactyla helianthus (Sh I). Spin systems were first identified by using two-dimensional relayed or multiple quantum filtered correlation spectroscopy, double quantum spectroscopy, and spin lock experiments. Specific resonance assignments were then obtained from nuclear Overhauser enhancement (NOE) connectivities between protons from residues adjacent in the amino acid sequence. Of a total of 265 potentially observable resonances, 248 (i.e., 94%) were assigned, arising from 39 completely and 9 partially assigned amino acid spin systems. The secondary structure ofmore » Sh I was defined on the basis of the pattern of sequential NOE connectivities. NOEs between protons on separate strands of the polypeptide backbone, and backbone amide exchange rates. Sh I contains a four-stranded antiparallel {beta}-sheet encompassing residues 1-5, 16-24, 30-33, and 40-46, with a {beta}-bulge at residues 17 and 18 and a reverse turn, probably a type II {beta}-turn, involving residues 27-30. No evidence of {alpha}-helical structure was found.« less

Improving the knowledge of labour and delivery nurses in India: a randomized controlled trial of mentoring and case sheets in primary care centres.

PubMed

Bradley, Janet; Jayanna, Krishnamurthy; Shaw, Souradet; Cunningham, Troy; Fischer, Elizabeth; Mony, Prem; Ramesh, B M; Moses, Stephen; Avery, Lisa; Crockett, Maryanne; Blanchard, James F

2017-01-07

Birthing in health facilities in India has increased over the last few years, yet maternal and neonatal mortality rates remain high. Clinical mentoring with case sheets or checklists for nurses is viewed as essential for on-going knowledge transfer, particularly where basic training is inadequate. This paper summarizes a study of the effect of such a programme on staff knowledge and skills in a randomized trial of 295 nurses working in 108 Primary Health Centres (PHCs) in Karnataka, India. Stratifying by district, half of the PHCs were randomly assigned to be intervention sites and provided with regular mentoring visits where case sheet/checklists were a central job and teaching aid, and half to be control sites, where no support was provided except provision of case sheets. Nurses' knowledge and skills around normal labour, labour complications and neonate issues were tested before the intervention began and again one year later. Univariate and multivariate analyses were conducted to examine the effect of mentoring and case sheets. Overall, on none of the 3 measures, did case sheet use without mentoring add anything to the basic nursing training when controlling for other factors. Only individuals who used both case-sheets and received mentoring scored significantly higher on the normal labour and neonate indices, scoring almost twice as high as those who only used case-sheets. This group was also associated with significantly higher scores on the complications of labour index, with their scores 2.3 times higher on average than the case sheet only control group. Individuals from facilities with 21 or more deliveries in a month tended to fare worse on all 3 indices. There were no differences in outcomes according to district or years of experience. This study demonstrates that provision of case sheets or checklists alone is insufficient to improve knowledge and practices. However, on-site mentoring in combination with case sheets can have a demonstrable effect on improving nurse knowledge and skills around essential obstetric and neonatal care in remote rural areas of India. We recommend scaling up of this mentoring model in order to improve staff knowledge and skills and reduce maternal and neonatal mortality in India. This study is registered at clinicaltrials.gov, Identifier No. NCT02004912 , November 27, 2013.

Correlation of EMR and optical spectroscopy data for Cr3+ and Mn2+ ions doped into yttrium aluminum borate YAl3(BO3)4 crystal - Extracting low symmetry aspects

NASA Astrophysics Data System (ADS)

Rudowicz, Czesław; Gnutek, Paweł; Açıkgöz, Muhammed

2015-08-01

In this study, the crystal field analysis for Cr3+ and Mn2+ ions doped into yttrium aluminum borate YAl3(BO3)4, for short YAB, crystal has been carried out to complement earlier study of the zero-field splitting (ZFS) parameters (ZFSPs). This analysis utilizes data on the distortion models obtained from analysis of the ZFSPs obtained experimentally by EMR for Cr3+ and Mn2+ ions at the Y3+ and Al3+ sites in YAB. This approach enables to verify and enhance reliability of the ZFSP modeling based on superposition model (SPM) analysis and the distortion models predicted previously. Subsequently, modeling of the crystal field parameters (CFPs) based on SPM analysis is carried out for Cr3+ and Mn2+ ions located at possible cation sites in YAB. The SPM predicted CFP values serve as input for the Crystal Field Analysis (CFA) package to calculate the CF energy levels. The predicted physical ZFS of the ground spin state, i.e. the 4A2 state for Cr3+ ion and the 6S state Mn2+ ions, enable calculation of the theoretical ZFSP values, D and D & (a-F), respectively, using the microscopic spin Hamiltonian (MSH) module in the CFA package. In this way, data on the distortions around the Cr3+ centers in YAB (and to a certain extent also for Mn2+ centers) obtained using the ZFSP data from EMR measurements may be correlated with data on the CF energy levels measured by optical spectroscopy. This modeling approach uncovers certain incompatibilities in the existing data for Cr3+:YAB, which call for reanalysis of the previous assignments of the energy levels observed in optical spectra and more accurate experimental data.

Spin-exciton interaction and related micro-photoluminescence spectra of ZnSe:Mn DMS nanoribbon

NASA Astrophysics Data System (ADS)

Hou, Lipeng; Zhou, Weichang; Zou, Bingsuo; Zhang, Yu; Han, Junbo; Yang, Xinxin; Gong, Zhihong; Li, Jingbo; Xie, Sishen; Shi, Li-Jie

2017-03-01

For their spintronic applications the magnetic and optical properties of diluted magnetic semiconductors (DMS) have been studied widely. However, the exact relationships between the magnetic interactions and optical emission behaviors in DMS are not well understood yet due to their complicated microstructural and compositional characters from different growth and preparation techniques. Manganese (Mn) doped ZnSe nanoribbons with high quality were obtained by using the chemical vapor deposition (CVD) method. Successful Mn ion doping in a single ZnSe nanoribbon was identified by elemental energy-dispersive x-ray spectroscopy mapping and micro-photoluminescence (PL) mapping of intrinsic d-d optical transition at 580 nm, i.e. the transition of 4 T 1(4 G) → 6 A 1(6 s),. Besides the d-d transition PL peak at 580 nm, two other PL peaks related to Mn ion aggregates in the ZnSe lattice were detected at 664 nm and 530 nm, which were assigned to the d-d transitions from the Mn2+-Mn2+ pairs with ferromagnetic (FM) coupling and antiferromagnetic (AFM) coupling, respectively. Moreover, AFM pair formation goes along with strong coupling with acoustic phonon or structural defects. These arguments were supported by temperature-dependent PL spectra, power-dependent PL lifetimes, and first-principle calculations. Due to the ferromagnetic pair existence, an exciton magnetic polaron (EMP) is formed and emits at 460 nm. Defect existence favors the AFM pair, which also can account for its giant enhancement of spin-orbital coupling and the spin Hall effect observed in PRL 97, 126603(2006) and PRL 96, 196404(2006). These emission results of DMS reflect their relation to local sp-d hybridization, spin-spin magnetic coupling, exciton-spin or phonon interactions covering structural relaxations. This kind of material can be used to study the exciton-spin interaction and may find applications in spin-related photonic devices besides spintronics.

Reanalysis and extension of the MnH A7Π- X7Σ + (0, 0) band: Fine structure and hyperfine-induced rotational branches

NASA Astrophysics Data System (ADS)

Varberg, Thomas D.; Gray, Jeffrey A.; Field, Robert W.; Merer, Anthony J.

1992-12-01

The A7Π- X7Σ + (0, 0) band of MnH at 568 nm has been recorded by laser fluorescence excitation spectroscopy. The original rotational analysis of Nevin [ Proc. R. Irish Acad.48A, 1-45 (1942); 50A, 123-137 (1945)] has been extended with some corrections at low J. Systematic internal hyperfine perturbations in the X7Σ + state, caused by the Δ N = 0, Δ J = ±1 matrix elements of the 55Mn hyperfine term in the Hamiltonian, have been observed in all seven electron spin components over the entire range of N″ studied. These perturbations destroy the "goodness" of J″ as a quantum number, giving rise to hyperfine-induced Δ J = ±2 rotational branches and to observable energy shifts of the most severely affected levels. The A7Π state, with A = 40.5 cm -1 and B = 6.35 cm -1, evolves rapidly from Hund's case ( a) to case ( b) coupling, which produces anomalous branch patterns at low J. A total of 156 rotational branches have been identified and fitted by least squares to an effective Hamiltonian, providing precise values for the rotational and fine structure constants. Values of the principal constants determined in the fit are (1σ errors in units of the last digit are listed in parentheses): The fine structures of the A7Π and X7Σ + states confirm the assignment of the A ← X transition as Mn 4 pπ ← 4 sσ in the presence of a spectator, nonbonding Mn 3 d5 ( 6S) open core.

WETAIR: A computer code for calculating thermodynamic and transport properties of air-water mixtures

NASA Technical Reports Server (NTRS)

Fessler, T. E.

1979-01-01

A computer program subroutine, WETAIR, was developed to calculate the thermodynamic and transport properties of air water mixtures. It determines the thermodynamic state from assigned values of temperature and density, pressure and density, temperature and pressure, pressure and entropy, or pressure and enthalpy. The WETAIR calculates the properties of dry air and water (steam) by interpolating to obtain values from property tables. Then it uses simple mixing laws to calculate the properties of air water mixtures. Properties of mixtures with water contents below 40 percent (by mass) can be calculated at temperatures from 273.2 to 1497 K and pressures to 450 MN/sq m. Dry air properties can be calculated at temperatures as low as 150 K. Water properties can be calculated at temperatures to 1747 K and pressures to 100 MN/sq m. The WETAIR is available in both SFTRAN and FORTRAN.

The spectroscopy of MnH

NASA Astrophysics Data System (ADS)

Langhoff, Stephen R.; Bauschlicher, Charles W.; Rendell, Alistair P.

1989-11-01

The low-lying quintet and septet states of MnH have been studied using the state-averaged {CASSCF}/{MRCI} method. Our study focuses on the A7Π- X7Σ +, c5Σ +- a5Σ +, and b5Π- a5Σ + band systems, which almost certainly correspond to the 566-, 847-, and 939-nm band systems observed in emission. The radiative lifetimes for the v' = 0 level of the A7Π, b5Π, and c5Σ + states are 96.6 ns and 3.2 and 0.39 μs, respectively. Although the CASSCF calculations are not inconsistent with the assignment of the 480-nm band system to a 5Π- a5Σ + transition, they indicate the existence of a stronger 5Σ +- a5Σ + transition in the same energy region. The calculations also show that the quintet spectrum above 20 000 cm -1 is very complicated.

Statistics of equivalent width data and new oscillator strengths for Si II, Fe II, and Mn II. [in interstellar medium

NASA Technical Reports Server (NTRS)

Van Buren, Dave

1986-01-01

Equivalent width data from Copernicus and IUE appear to have an exponential, rather than a Gaussian distribution of errors. This is probably because there is one dominant source of error: the assignment of the background continuum shape. The maximum likelihood method of parameter estimation is presented for the case of exponential statistics, in enough generality for application to many problems. The method is applied to global fitting of Si II, Fe II, and Mn II oscillator strengths and interstellar gas parameters along many lines of sight. The new values agree in general with previous determinations but are usually much more tightly constrained. Finally, it is shown that care must be taken in deriving acceptable regions of parameter space because the probability contours are not generally ellipses whose axes are parallel to the coordinate axes.

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

Beran, L.; Cejpek, P.; Kulda, M.

Optical and magneto-optical properties of single crystal of Ni{sub 50.1}Mn{sub 28.4}Ga{sub 21.5} magnetic shape memory alloy during its transformation from martensite to austenite phase were systematically studied. Crystal orientation was approximately along (100) planes of parent cubic austenite. X-ray reciprocal mapping confirmed modulated 10 M martensite phase. Temperature depended measurements of saturation magnetization revealed the martensitic transformation at 335 K during heating. Magneto-optical spectroscopy and spectroscopic ellipsometry were measured in the sample temperature range from 297 to 373 K and photon energy range from 1.2 to 6.5 eV. Magneto-optical spectra of polar Kerr rotation as well as the spectra of ellipsometric parameter Ψ exhibitedmore » significant changes when crossing the transformation temperature. These changes were assigned to different optical properties of Ni-Mn-Ga in martensite and austenite phases due to modification of electronic structure near the Fermi energy during martensitic transformation.« less

EnviroAtlas - Minneapolis/St. Paul, MN - Estimated Percent Tree Cover Along Walkable Roads

EPA Pesticide Factsheets

This EnviroAtlas dataset estimates tree cover along walkable roads. The road width is estimated for each road and percent tree cover is calculated in a 8.5 meter strip beginning at the estimated road edge. Percent tree cover is calculated for each block between road intersections. In this community, tree cover is defined as Trees and Forest and Woody Wetlands. Tree cover provides valuable benefits to neighborhood residents and walkers by providing shade, improved aesthetics, and outdoor gathering spaces. This dataset was produced by the US EPA to support research and online mapping activities related to EnviroAtlas. EnviroAtlas (https://www.epa.gov/enviroatlas/EnviroAtlas) allows the user to interact with a web-based, easy-to-use, mapping application to view and analyze multiple ecosystem services for the contiguous United States. The dataset is available as downloadable data (https://edg.epa.gov/data/Public/ORD/EnviroAtlas) or as an EnviroAtlas map service. Additional descriptive information about each attribute in this dataset can be found in its associated EnviroAtlas Fact Sheet (https://www.epa.gov/enviroatlas/enviroatlas-fact-sheets)

EnviroAtlas - Minneapolis/St. Paul, MN - Near Road Tree Buffer

EPA Pesticide Factsheets

This EnviroAtlas dataset addresses the tree buffer along heavily traveled roads. The roads are interstates, arterials, and collectors within the EnviroAtlas community boundary. In this community, forest is defined as Trees and Forest and Woody Wetlands. Sufficient tree bufferage is defined as 25% coverage within the circular moving window with a radius of 14.5m at any given point along the roadway. There are potential negative health effects for those living in a location without a sufficient tree buffer. This dataset was produced by the US EPA to support research and online mapping activities related to EnviroAtlas. EnviroAtlas (https://www.epa.gov/enviroatlas) allows the user to interact with a web-based, easy-to-use, mapping application to view and analyze multiple ecosystem services for the contiguous United States. The dataset is available as downloadable data (https://edg.epa.gov/data/Public/ORD/EnviroAtlas) or as an EnviroAtlas map service. Additional descriptive information about each attribute in this dataset can be found in its associated EnviroAtlas Fact Sheet (https://www.epa.gov/enviroatlas/enviroatlas-fact-sheets).

Research on Forming Mechanisms and Controlling Measurements for Surface Light Spot Defects of Galvanizing Steel Coils for Automobile Use

NASA Astrophysics Data System (ADS)

Guangmin, Wei; Haiyan, Sun; Jianqiang, Shi; Lianxuan, Wang; Haihong, Wu

When producing high surface quality galvanizing steel coils for automobile use, there are always many light spots on the surface since Hansteel CGL No.1 has been put into operation. The defect samples were analyzed by SEM and EDS. The result shows that cause for light spot is not only one. There are more Mn and P in high strength auto sheet, which can result in difficulty to be cleaned off the oxide on the hot rolled coils, so the defects coming. This is why the defects come with high strength auto sheet. When coils galvanized, the defects can't be covered up. To the contrary, the defects will be more obvious when zinc growing on the surface. And sometimes zinc or residue can adhere to work rolls when strips passing through SPM. The deposits then press normal coating. So the light spots come more. When the defect comes from pressing, there is no defect on steel base. The causation is found and measures were taken including high pressure cleaning equipments adopted. Result shows that the defects disappeared.

EnviroAtlas - Minneapolis/St. Paul, MN - 51m Riparian Buffer Forest Cover

EPA Pesticide Factsheets

This EnviroAtlas dataset describes the percentage of a 51-m riparian buffer that is forested. In this community, forest is defined as Trees and Forest and Woody Wetlands. There is a potential for decreased water quality in areas where the riparian buffer is less forested. The displayed line represents the center of the analyzed riparian buffer. The water bodies analyzed include hydrologically connected streams, rivers, connectors, reservoirs, lakes/ponds, ice masses, washes, locks, and rapids within the EnviroAtlas community area. This dataset was produced by the US EPA to support research and online mapping activities related to EnviroAtlas. EnviroAtlas (https://www.epa.gov/enviroatlas) allows the user to interact with a web-based, easy-to-use, mapping application to view and analyze multiple ecosystem services for the contiguous United States. The dataset is available as downloadable data (https://edg.epa.gov/data/Public/ORD/EnviroAtlas) or as an EnviroAtlas map service. Additional descriptive information about each attribute in this dataset can be found in its associated EnviroAtlas Fact Sheet (https://www.epa.gov/enviroatlas/enviroatlas-fact-sheets).

EnviroAtlas - Minneapolis/St. Paul, MN - Estimated Percent Green Space Along Walkable Roads

EPA Pesticide Factsheets

This EnviroAtlas dataset estimates green space along walkable roads. Green space within 25 meters of the road centerline is included and the percentage is based on the total area between street intersections. In this community, green space is defined as Trees and Forest, Grass and Herbaceous, Agriculture, Woody Wetlands, and Emergent Wetlands. In this metric, water is also included in green space. Green space provides valuable benefits to neighborhood residents and walkers by providing shade, improved aesthetics, and outdoor gathering spaces. This dataset was produced by the US EPA to support research and online mapping activities related to EnviroAtlas. EnviroAtlas (https://www.epa.gov/enviroatlas/EnviroAtlas) allows the user to interact with a web-based, easy-to-use, mapping application to view and analyze multiple ecosystem services for the contiguous United States. The dataset is available as downloadable data (https://edg.epa.gov/data/Public/ORD/EnviroAtlas) or as an EnviroAtlas map service. Additional descriptive information about each attribute in this dataset can be found in its associated EnviroAtlas Fact Sheet (https://www.epa.gov/enviroatlas/enviroatlas-fact-sheets).

Case in Point: Stronach v. Virginia State U. (2008): Does Academic Freedom Give a Professor the Final Say on Grades?

ERIC Educational Resources Information Center

White, Lawrence

2008-01-01

Virginia State University Carey E. Stronach assigned an undergraduate a final grade of D after the student had failed three classroom quizzes. The student, who claimed to have received A's on two of the quizzes, submitted fax copies of his score sheets to Stronach, who concluded that the student had doctored his scores. The student appealed to the…

Digestibility and retention of zinc, copper, manganese, iron, calcium, and phosphorus in pigs fed diets containing inorganic or organic minerals.

PubMed

Liu, Y; Ma, Y L; Zhao, J M; Vazquez-Añón, M; Stein, H H

2014-08-01

The objective of this experiment was to measure the apparent total tract digestibility (ATTD) and the retention rate of Zn, Cu, Mn, and Fe in pigs fed either inorganic or organic sources of Zn, Cu, Mn, and Fe. The experimental design was a randomized complete block design with a 2 × 3 factorial arrangement of treatments. There were 2 types of diets (corn grits-based or corn-soybean meal [SBM]-based diets) and 3 micromineral treatments (basal micromineral premix [BMM], inorganic micromineral premix [IMM], and organic micromineral premix [OMM]). The BMM contained no added Zn, Cu, Mn, or Fe; the IMM microminerals were provided as sulfates of Zn, Cu, Mn, and Fe at 40, 50, 20, and 100 mg/kg, respectively. The OMM contained the same levels of the 4 microminerals as IMM, but Zn, Cu, Mn, and Fe in this premix were provided by Zn(2-hydroxy-4-methylthio butanoic acid [HMTBa])2, Cu(HMTBa)2, Mn(HMTBa)2, and FeGly, respectively. Forty-eight barrows (initial BW: 31.1 ± 4.2 kg) were housed individually and allowed ad libitum access to the corn grits diet with BMM for 2 wk. All pigs were then moved to metabolism cages and randomly assigned to 1 of the 6 treatment diets with 8 replicates per diet. Fecal and urine samples were collected for 5 d following a 5-d adaptation period. Compared with corn grits diets, pigs fed corn-SBM diets had greater (P < 0.05) absorption and retention of Zn, Cu, and Mn but less (P < 0.05) ATTD of Zn and Cu. Compared with BMM, supplementation of IMM or OMM increased (P < 0.05) absorption, retention, ATTD, and retention rate of Zn, Cu, Mn, and Fe. Compared with IMM, adding OMM to the corn-SBM diet improved (P < 0.05) the absorption and retention of Cu and Mn and the ATTD of Cu, but these differences were not observed in the corn grits diets (interaction, P < 0.05). In addition, adding OMM to the corn-SBM diet increased (P < 0.05) absorption and retention of Zn and Fe and ATTD of Zn, Mn, and Fe compared with adding IMM to the corn-SBM diet. Supplementation of OMM also increased (P < 0.05) the ATTD and retention rate of P in corn-SBM diets. Results indicate that Zn(HMTBa)2 has greater digestibility and Cu(HMTBa)2 and Mn(HMTBa)2 have greater digestibility and retention rates compared with their inorganic sulfates, if included in a corn-SBM diet. Supplementation of organic microminerals also improves the digestibility of P in a corn-SBM diet.

Spectroscopic and Computational Investigations of a Mononuclear Manganese(IV)-Oxo Complex Reveal Electronic Structure Contributions to Reactivity

DOE PAGES

Leto, Domenick F.; Massie, Allyssa A.; Rice, Derek B.; ...

2016-11-01

The mononuclear Mn(IV)-oxo complex [Mn IV(O)(N4py)] 2+, where N4py is the pentadentate ligand N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine, we propose to attack C–H bonds by an excited-state reactivity pattern [Cho, K.-B.; Shaik, S.; Nam, W. J. Phys. Chem. Lett. 2012, 3, 2851-2856 (DOI: 10.1021/jz301241z)]. In this model, a 4E excited state is utilized to provide a lower-energy barrier for hydrogen-atom transfer. This proposal is intriguing, as it offers both a rationale for the relatively high hydrogen-atom-transfer reactivity of [Mn IV(O)(N4py)] 2+ and a guideline for creating more reactive complexes through ligand modification. Here we employ a combination of electronic absorption and variable-temperature magnetic circularmore » dichroism (MCD) spectroscopy to experimentally evaluate this excited-state reactivity model. Using these spectroscopic methods, in conjunction with time-dependent density functional theory (TD-DFT) and complete-active space self-consistent-field calculations (CASSCF), we define the ligand-field and charge-transfer excited states of [MnIV(O)(N4py)]2+. Through a graphical analysis of the signs of the experimental C-term MCD signals, we unambiguously assign a low-energy MCD feature of [Mn IV(O)(N4py)] 2+ as the 4E excited state predicted to be involved in hydrogen-atom-transfer reactivity. The CASSCF calculations predict enhanced Mn III-oxyl character on the excited-state 4E surface, consistent with previous DFT calculations. Potential-energy surfaces, developed using the CASSCF methods, are used to determine how the energies and wave functions of the ground and excited states evolved as a function of Mn=O distance. Furthermore, the unique insights into ground- and excited-state electronic structure offered by these spectroscopic and computational studies are harmonized with a thermodynamic model of hydrogen-atom-transfer reactivity, which predicts a correlation between transition-state barriers and driving force« less

Spectroscopic and Computational Investigations of a Mononuclear Manganese(IV)-Oxo Complex Reveal Electronic Structure Contributions to Reactivity

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

Leto, Domenick F.; Massie, Allyssa A.; Rice, Derek B.

The mononuclear Mn(IV)-oxo complex [Mn IV(O)(N4py)] 2+, where N4py is the pentadentate ligand N,N-bis(2-pyridylmethyl)-N-bis(2-pyridyl)methylamine, we propose to attack C–H bonds by an excited-state reactivity pattern [Cho, K.-B.; Shaik, S.; Nam, W. J. Phys. Chem. Lett. 2012, 3, 2851-2856 (DOI: 10.1021/jz301241z)]. In this model, a 4E excited state is utilized to provide a lower-energy barrier for hydrogen-atom transfer. This proposal is intriguing, as it offers both a rationale for the relatively high hydrogen-atom-transfer reactivity of [Mn IV(O)(N4py)] 2+ and a guideline for creating more reactive complexes through ligand modification. Here we employ a combination of electronic absorption and variable-temperature magnetic circularmore » dichroism (MCD) spectroscopy to experimentally evaluate this excited-state reactivity model. Using these spectroscopic methods, in conjunction with time-dependent density functional theory (TD-DFT) and complete-active space self-consistent-field calculations (CASSCF), we define the ligand-field and charge-transfer excited states of [MnIV(O)(N4py)]2+. Through a graphical analysis of the signs of the experimental C-term MCD signals, we unambiguously assign a low-energy MCD feature of [Mn IV(O)(N4py)] 2+ as the 4E excited state predicted to be involved in hydrogen-atom-transfer reactivity. The CASSCF calculations predict enhanced Mn III-oxyl character on the excited-state 4E surface, consistent with previous DFT calculations. Potential-energy surfaces, developed using the CASSCF methods, are used to determine how the energies and wave functions of the ground and excited states evolved as a function of Mn=O distance. Furthermore, the unique insights into ground- and excited-state electronic structure offered by these spectroscopic and computational studies are harmonized with a thermodynamic model of hydrogen-atom-transfer reactivity, which predicts a correlation between transition-state barriers and driving force« less

Electronic structure and spectroscopic properties of mononuclear manganese(III) Schiff base complexes: a systematic study on [Mn(acen)X] complexes by EPR, UV/vis, and MCD spectroscopy (X = Hal, NCS).

PubMed

Westphal, Anne; Klinkebiel, Arne; Berends, Hans-Martin; Broda, Henning; Kurz, Philipp; Tuczek, Felix

2013-03-04

The manganese(III) Schiff base complexes [Mn(acen)X] (H2acen: N,N'-ethylenebis(acetylacetone)imine, X: I(-), Br(-), Cl(-), NCS(-)) are considered as model systems for a combined study of the electronic structure using vibrational, UV/vis absorption, parallel-mode electron paramagnetic resonance (EPR) and low-temperature magnetic circular dichroism (MCD) spectroscopy. By variation of the co-ligand X, the influence of the axial ligand field within a given square-pyramidal coordination geometry on the UV/vis, EPR, and MCD spectra of the title compounds is investigated. Between 25000 and 35000 cm(-1), the low-temperature MCD spectra are dominated by two very intense, oppositely signed pseudo-A terms, referred to as "double pseudo-A terms", which change their signs within the [Mn(acen)X] series dependent on the axial ligand X. Based on molecular orbital (MO) and symmetry considerations, these features are assigned to π(n.b.)(s, a) → yz, z(2) ligand-to-metal charge transfer transitions. The individual MCD signs are directly determined from the calculated MOs of the [Mn(acen)X] complexes. The observed sign change is explained by an inversion of symmetry among the π(n.b.)(s, a) donor orbitals which leads to an interchange of the positive and negative pseudo-A terms constituting the "double pseudo-A term".

Interaction of multiferroic properties and interfaces in hexagonal LuMnO3 ceramics

NASA Astrophysics Data System (ADS)

Baghizadeh, A.; Vieira, J. M.; Stroppa, D. G.; Mirzadeh Vaghefi, P.; Graça, M. P.; Amaral, J. S.; Willinger, M.-G.; Amaral, V. S.

2017-02-01

A study on the underlying interaction mechanisms between lattice constants, magnetic and dielectric properties with inhomogeneities or internal interfaces in hexagonal, off-stoichiometric LuMnO3 oxide is presented. By increasing Mn content the a-axis constant and volume of the unit cell, the antiferromagnetic (AFM) Néel temperature, T N, and frustration factor of the frustrated Mn3+ trimmers in basal plane show decreasing trends. It was found that increasing the annealing time improves the properties of the lattices and progressively eliminates secondary phases for compositions within the solid solution stability limits. A magnetic contribution below T N is observed for all samples. Two regimes of magnetization below and above 45 K were observed in the AFM state. The magnetic contribution below T N is assigned to either the secondary phase or internal interfaces like ferroelectric (FE) domain walls. Magneto-dielectric coupling at T N is preserved in off-stoichiometric ceramics. The presence of a low temperature anomaly of the dielectric constant is correlated to the composition of the solid solution in off-stoichiometric ceramics. Large FE domains are observed in piezoresponse force microscopy (PFM) images of doped and un-doped ceramics, whereas atomic structure analysis indicates the parallel formation of nano-sized FE domains. A combination of measured properties and microscopy images of micron- and nano-sized domains ascertain the role of lattice distortion and stability of solid solution on multiferroic properties.

Electrochemical studies of DNA interaction and antimicrobial activities of MnII, FeIII, CoII and NiII Schiff base tetraazamacrocyclic complexes

NASA Astrophysics Data System (ADS)

Kumar, Anuj; Vashistha, Vinod Kumar; Tevatia, Prashant; Singh, Randhir

2017-04-01

Tetraazamacrocyclic complexes of MnII, FeIII, CoII and NiII have been synthesized by template method. These tetraazamacrocycles have been analyzed with various techniques like molar conductance, IR, UV-vis, mass spectral and cyclic voltammetric studies. On the basis of all these studies, octahedral geometry has been assigned to these tetraazamacrocyclic complexes. The DNA binding properties of these macrocyclic complexes have been investigated by electronic absorption spectra, fluorescence spectra, cyclic voltammetric and differential pulse voltammetric studies. The cyclic voltammetric data showed that ipc and ipa were effectively decreased in the presence of calf thymus DNA, which is a strong evidence for the interaction of these macrocyclic complexes with the calf thymus DNA (ct-DNA). The heterogeneous electron transfer rate constant found in the order: KCoII > KNiII > KMnII which indicates that CoII macrocyclic complex has formed a strong intercalated intermediate. The Stern-Volmer quenching constant (KSV) and voltammetric binding constant were found in the order KSV(CoII) > KSV(NiII) > KSV(MnII) and K+(CoII) > K+(NiII) > K+(MnII) which shows that CoII macrocyclic complex exhibits the high interaction affinity towards ct-DNA by the intercalation binding. Biological studies of the macrocyclic complexes compared with the standard drug like Gentamycin, have shown antibacterial activities against E. coli, P. aeruginosa, B. cereus, S. aureus and antifungal activity against C. albicans.

Investigating the geometrical preferences of a flexible benzimidazolone-based linker in the synthesis of coordination polymers

PubMed Central

Jones, Corey L.; Marsden, Elizabeth A.; Nevin, Adam C.; Kariuki, Benson M.; Bhadbhade, Mohan M.; Martin, Adam D.

2017-01-01

A series of new group 2 coordination polymers, MgL ={MgL(H2O)(DMF)0.75}∞, CaL = {CaL(DMF)2}∞, SrL = {SrL(H2O)0.5}∞ and BaL = {BaL(H2O)0.5}∞, were synthesized using a flexible benzimidazolone diacetic acid linker (H2L) in which the two carboxylic acid binding sites are connected to a planar core via {–CH2–} spacers that can freely rotate in solution. In a ‘curiosity-led' diversion from group 2 metals, the first row transition metal salts Mn2+, Cu2+ and Zn2+ were also reacted with L to yield crystals of MnL = {MnL(DMF)(H2O)3.33}∞, Cu3L2 = {Cu3L2(DMF)2(CHO2)2}∞ and ZnL = {ZnL(DMF)}∞. Crystal structures were obtained for all seven materials. All structures form as two-dimensional sheets and contain six-coordinate centres, with the exception of ZnL, which displays tetrahedrally coordinated metal centres, and Cu3L2, which contains square planar coordinated metal centres and Cu paddle-wheels. In each structure, the linker adopts one of two distinct conformations, with the carboxylate groups either cis or trans with respect to the planar core. All materials were also characterized by powder X-ray diffraction and thermogravimetric analysis. PMID:29308246

Supramolecular complexes obtained from the interaction of violuric acid with manganese ion and nitrogenous ligands

NASA Astrophysics Data System (ADS)

Garcia, Humberto C.; Diniz, Renata; Speziali, Nivaldo L.; de Oliveira, Luiz Fernando C.

2014-07-01

This work describes the synthesis, spectroscopic characterization (Raman and infrared) and structural arrangement of three new supramolecular complexes named [Mn(H2Vi)2(H2O)4)](bpy)2(1), [Mn(bpa)2(H2O)4](H2Vi)2(2) and [Mn(bpp)2(H2Vi)2]·(bpp)2(H2O)2(3); these compounds have been obtained making use of different building blocks such as 4,4‧-bipyridyne (bpy), 1,2-bis(4-pyridyl)ethane (bpa) and 4,4‧-trimethylene-dipyridine (bpp) acting as spacers with violuric acid and manganese ion, presenting behavior related to processes of molecular self-assembling and self-organization, very common in studies of supramolecular systems. In all these compounds the violurate anion appears in the crystalline arrangement as monodentate, anionic and chelate forms for 1, 2 and 3, respectively. The important to note is that monodentate coordination in 1 and chelate in 3 through O2 and O3 oxygen atoms from the oxime group can be considered the first example in literature involving violuric acid, both in coordination or interaction with manganese ion. Moreover, it can be seen a good agreement between the structural results and the spectroscopic data; for instance the presence of an intense band in the Raman spectrum around 1603 and 1012 cm-1 in all obtained compounds, assigned to the ν(CC)/ν(CN) and ν(ring)modes of the pyridyl ligand, respectively. Other important band can be observed in 1031 cm-1 only for compound 3, assigned to the ν(Nsbnd O) mode of the violurate ligand; the band at 1284 cm-1 referring to the ν(Ndbnd O) mode, very characteristic of violurate species is not seen in the spectrum, thus confirming the coordination of this building block by the oxime moiety.

¹⁵N, ¹³C and ¹H resonance assignments and secondary structure determination of a variable heavy domain of a heavy chain antibody.

PubMed

Prosser, Christine E; Waters, Lorna C; Muskett, Frederick W; Veverka, Vaclav; Addis, Philip W; Griffin, Laura M; Baker, Terry S; Lawson, Alastair D G; Wernery, Ulrich; Kinne, Jorg; Henry, Alistair J; Taylor, Richard J; Carr, Mark D

2014-04-01

Heavy chain antibodies differ in structure to conventional antibodies lacking both the light chain and the first heavy chain constant domain (CH1). Characteristics of the antigen-binding variable heavy domain of the heavy chain antibody (VHH) including the smaller size, high solubility and stability make them an attractive alternative to more traditional antibody fragments for detailed NMR-based structural analysis. Here we report essentially complete backbone and side chain (15)N, (13)C and (1)H assignments for a free VHH. Analysis of the backbone chemical shift data obtained indicates that the VHH is comprised predominantly of β-sheets corresponding to nearly 60% of the protein backbone.

Target Assignment in Robotic Networks: Distance Optimality Guarantees and Hierarchical Strategies

DTIC Science & Technology

2013-01-01

O (n− c ) for some positive constant c . Although the...the same centralized algorithm, Strategy 4 has a computational time complexity O (mt(n/m)+ t( √ mn)). If t(n) = O (n3) as given by the Hungarian method...Number of required robots for a connected G(0) 0 20 40 60 80 100 1 2 3 4 5 6 = 0.2rcomm 0.1 0.05 0.02 0.01 % o f c o n n e c

Hazard banding in compliance with the new Globally Harmonised System (GHS) for use in control banding tools.

PubMed

Arnone, Mario; Koppisch, Dorothea; Smola, Thomas; Gabriel, Stefan; Verbist, Koen; Visser, Remco

2015-10-01

Many control banding tools use hazard banding in risk assessments for the occupational handling of hazardous substances. The outcome of these assessments can be combined with advice for the required risk management measures (RMMs). The Globally Harmonised System of Classification and Labelling of Chemicals (GHS) has resulted in a change in the hazard communication elements, i.e. Hazard (H) statements instead of Risk-phrases. Hazard banding schemes that depend on the old form of safety information have to be adapted to the new rules. The purpose of this publication is to outline the rationales for the assignment of hazard bands to H statements under the GHS. Based on this, this publication proposes a hazard banding scheme that uses the information from the safety data sheets as the basis for assignment. The assignment of hazard bands tiered according to the severity of the underlying hazards supports the important principle of substitution. Additionally, the set of assignment rules permits an exposure-route-specific assignment of hazard bands, which is necessary for the proposed route-specific RMMs. Ideally, all control banding tools should apply the same assignment rules. This GHS-compliant hazard banding scheme can hopefully help to establish a unified hazard banding strategy in the various control banding tools. Copyright © 2015 Elsevier Inc. All rights reserved.

Effects of Mulching and Nitrogen on Soil Nitrate-N Distribution, Leaching and Nitrogen Use Efficiency of Maize (Zea mays L.)

PubMed Central

2016-01-01

Mulching and nitrogen are critical drivers of crop production for smallholders of the Loess Plateau in China. The purpose of this study was to investigate the effect of mulching and nitrogen fertilizer on the soil water content, soil nitrate-N content and vertical distribution in maize root-zone. The experiment was conducted over two consecutive years and used randomly assigned field plots with three replicates. The six treatments consisted of no fertilizer without plastic film (CK), plastic film mulching with no basal fertilizer and no top dressing (MN0), basal fertilizer with no top dressing and no mulching (BN1), plastic film mulching and basal fertilizer with no top dressing (MN1), basal fertilizer and top dressing with no mulching (BN2) and plastic film mulching with basal fertilizer and top dressing (MN2). In the top soil layers, the soil water content was a little high in the plastic film mulching than that without mulching. The mean soil water content from 0 to 40 cm without mulching were 3.35% lower than those measured in the corresponding mulching treatments in 31 days after sowing in 2012. The mulching treatment increased the soil nitrate-N content was observed in the 0–40-cm soil layers. The results indicate that high contents of soil nitrate-N were mainly distributed at 0–20-cm at 31 days after sowing in 2012, and the soil nitrate-N concentration in the MN2 treatment was 1.58 times higher than that did not receive fertilizer. The MN2 treatment greatly increased the soil nitrate-N content in the upper layer of soil (0–40-cm), and the mean soil nitrate-N content was increased nearly 50 mg kg−1 at 105 days after sowing compared with CK treatment in 2012. The soil nitrate-N leaching amount in MN1 treatment was 28.61% and 39.14% lower than BN1 treatment, and the mulch effect attained to 42.55% and 65.27% in MN2 lower than BN2 in both years. The yield increased with an increase in the basal fertilizer, top dressing and plastic film mulching, and the grain yield increase ranged from 31.41% to 83.61% in two consecutive years. The MN1 and MN2 treatment is recommended because it increased the grain yield and improved the fertilizer use efficiency, compared with the no-mulching treatment. PMID:27560826

Highly efficient alkane oxidation catalyzed by [Mn(V)(N)(CN)4](2-). Evidence for [Mn(VII)(N)(O)(CN)4](2-) as an active intermediate.

PubMed

Ma, Li; Pan, Yi; Man, Wai-Lun; Kwong, Hoi-Ki; Lam, William W Y; Chen, Gui; Lau, Kai-Chung; Lau, Tai-Chu

2014-05-28

The oxidation of various alkanes catalyzed by [Mn(V)(N)(CN)4](2-) using various terminal oxidants at room temperature has been investigated. Excellent yields of alcohols and ketones (>95%) are obtained using H2O2 as oxidant and CF3CH2OH as solvent. Good yields (>80%) are also obtained using (NH4)2[Ce(NO3)6] in CF3CH2OH/H2O. Kinetic isotope effects (KIEs) are determined by using an equimolar mixture of cyclohexane (c-C6H12) and cyclohexane-d12 (c-C6D12) as substrate. The KIEs are 3.1 ± 0.3 and 3.6 ± 0.2 for oxidation by H2O2 and Ce(IV), respectively. On the other hand, the rate constants for the formation of products using c-C6H12 or c-C6D12 as single substrate are the same. These results are consistent with initial rate-limiting formation of an active intermediate between [Mn(N)(CN)4](2-) and H2O2 or Ce(IV), followed by H-atom abstraction from cyclohexane by the active intermediate. When PhCH2C(CH3)2OOH (MPPH) is used as oxidant for the oxidation of c-C6H12, the major products are c-C6H11OH, c-C6H10O, and PhCH2C(CH3)2OH (MPPOH), suggesting heterolytic cleavage of MPPH to generate a Mn═O intermediate. In the reaction of H2O2 with [Mn(N)(CN)4](2-) in CF3CH2OH, a peak at m/z 628.1 was observed in the electrospray ionization mass spectrometry, which is assigned to the solvated manganese nitrido oxo species, (PPh4)[Mn(N)(O)(CN)4](-)·CF3CH2OH. On the basis of the experimental results the proposed mechanism for catalytic alkane oxidation by [Mn(V)(N)(CN)4](2-)/ROOH involves initial rate-limiting O-atom transfer from ROOH to [Mn(N)(CN)4](2-) to generate a manganese(VII) nitrido oxo active species, [Mn(VII)(N)(O)(CN)4](2-), which then oxidizes alkanes (R'H) via a H-atom abstraction/O-rebound mechanism. The proposed mechanism is also supported by density functional theory calculations.

Effects of Mulching and Nitrogen on Soil Nitrate-N Distribution, Leaching and Nitrogen Use Efficiency of Maize (Zea mays L.).

PubMed

Wang, Xiukang; Xing, Yingying

2016-01-01

Mulching and nitrogen are critical drivers of crop production for smallholders of the Loess Plateau in China. The purpose of this study was to investigate the effect of mulching and nitrogen fertilizer on the soil water content, soil nitrate-N content and vertical distribution in maize root-zone. The experiment was conducted over two consecutive years and used randomly assigned field plots with three replicates. The six treatments consisted of no fertilizer without plastic film (CK), plastic film mulching with no basal fertilizer and no top dressing (MN0), basal fertilizer with no top dressing and no mulching (BN1), plastic film mulching and basal fertilizer with no top dressing (MN1), basal fertilizer and top dressing with no mulching (BN2) and plastic film mulching with basal fertilizer and top dressing (MN2). In the top soil layers, the soil water content was a little high in the plastic film mulching than that without mulching. The mean soil water content from 0 to 40 cm without mulching were 3.35% lower than those measured in the corresponding mulching treatments in 31 days after sowing in 2012. The mulching treatment increased the soil nitrate-N content was observed in the 0-40-cm soil layers. The results indicate that high contents of soil nitrate-N were mainly distributed at 0-20-cm at 31 days after sowing in 2012, and the soil nitrate-N concentration in the MN2 treatment was 1.58 times higher than that did not receive fertilizer. The MN2 treatment greatly increased the soil nitrate-N content in the upper layer of soil (0-40-cm), and the mean soil nitrate-N content was increased nearly 50 mg kg-1 at 105 days after sowing compared with CK treatment in 2012. The soil nitrate-N leaching amount in MN1 treatment was 28.61% and 39.14% lower than BN1 treatment, and the mulch effect attained to 42.55% and 65.27% in MN2 lower than BN2 in both years. The yield increased with an increase in the basal fertilizer, top dressing and plastic film mulching, and the grain yield increase ranged from 31.41% to 83.61% in two consecutive years. The MN1 and MN2 treatment is recommended because it increased the grain yield and improved the fertilizer use efficiency, compared with the no-mulching treatment.

Evidence for changes in the nucleotide conformation in the active site of H(+)-ATPase as determined by pulsed EPR spectroscopy.

PubMed

Schneider, B; Sigalat, C; Amano, T; Zimmermann, J L

2000-12-19

The conformation of di- and triphosphate nucleosides in the active site of ATPsynthase (H(+)-ATPase) from thermophilic Bacillus PS3 (TF1) and their interaction with Mg(2+)/Mn(2+) cations have been investigated using EPR, ESEEM, and HYSCORE spectroscopies. For a ternary complex formed by a stoichiometric mixture of TF1, Mn(2+), and ADP, the ESEEM and HYSCORE data reveal a (31)P hyperfine interaction with Mn(2+) (|A((31)P)| approximately 5.20 MHz), significantly larger than that measured for the complex formed by Mn(2+) and ADP in solution (|A((31)P)| approximately 4.50 MHz). The Q-band EPR spectrum of the Mn.TF1.ADP complex indicates that the Mn(2+) binds in a slightly distorted environment with |D| approximately 180 x 10(-4) cm(-1) and |E| approximately 50 x 10(-4) cm(-1). The increased hyperfine coupling with (31)P in the presence of TF1 reflects the specific interaction between the central Mn(2+) and the ADP beta-phosphate, illustrating the role of the enzyme active site in positioning the phosphate chain of the substrate for efficient catalysis. Results with the ternary Mn.TF1.ATP and Mn.TF1.AMP-PNP complexes are interpreted in a similar way with two hyperfine couplings being resolved for each complex (|A((31)P(beta))| approximately 4.60 MHz and |A((31)P(gamma))| approximately 5.90 MHz with ATP, and |A((31)P(beta))| approximately 4.20 MHz and |A((31)P(gamma))| approximately 5.40 MHz with AMP-PNP). In these complexes, the increased hyperfine coupling with (31)P(gamma) compared with (31)P(beta) reflects the smaller Mn.P distance with the gamma-phosphate compared with the beta-phosphate as found in the crystal structure of the analogous enzyme from mitochondria [3.53 vs 3.70 A (Abrahams, J. P., Leslie, A. G. W., Lutter, R., and Walker, J. E. (1994) Nature 370, 621-628)] and the different binding modes of the two phosphate groups. The ESEEM and HYSCORE data of a complex formed with Mn(2+), ATP, and the isolated beta subunit show that the (31)P hyperfine coupling is close to that measured in the absence of the protein, indicating a poorly structured nucleotide site in the isolated beta subunit in the presence of ATP. The inhibition data obtained for TF1 incubated in the presence of Mg(2+), ADP, Al(NO(3))(3), and NaF indicate the formation of the inhibited complex with the transition state analogue namely Mg.TF1.ADP.AlF(x) with the equilibrium dissociation constant K(D) = 350 microM and rate constant k = 0.02 min(-1). The ESEEM and HYSCORE data obtained for an inhibited TF1 sample, Mn.TF1.ADP.AlF(x), confirm the formation of the transition state analogue with distinct spectroscopic footprints that can be assigned to Mn.(19)F and Mn.(27)Al hyperfine interactions. The (31)P(beta) hyperfine coupling that is measured in the inhibited complex with the transition state analogue (|A((31)P(beta))| approximately 5.10 MHz) is intermediate between those measured in the presence of ADP and ATP and suggests an increase in the bond between Mn and the P(beta) from ADP upon formation of the transition state.

Enabling high rate charge and discharge capability, low internal resistance, and excellent cycleability for Li-ion batteries utilizing graphene additives

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

Tsai, Hsiu-Ling; Hsieh, Chien-Te; Li, Jianlin

A liquid-phase mixing method is adopted to uniformly disperse the graphene nanosheets onto LiNi 1/3Co 1/3Mn 1/3O 2 cathode for high-performance Li-ion batteries (LIBs). The electrochemical performance was characterized using a full pouch cells with state-of-the-art electrode areal loading (compared to half coin cells). The addition of graphene sheets (i.e., only 1 wt%) significantly improves the high rate capability for charging and discharging operation. For example, 6 times improvement in 5 C charging was achieved providing further insights in enabling extreme fast charging for LIBs. Other benefits include longer cycleability, lower internal resistance, and higher lithium ion diffusion coefficient, demonstratedmore » by charge-discharge cycling tests and electrochemical impedance spectroscopy. Higher capacity retention of 88.2% and decreased internal resistance of ~0.9 Ω are observed after 400 cycles. The diffusion coefficient of Li ions is 6.49 × 10 -8 cm 2 s -1 when charged to 4.2 V, which is approximately 1.37 times higher compared to the configuration with no graphene sheet (4.74 × 10 -8 cm 2 s -1). To conclude, the improved performance is ascribed to a robust network among the active materials formed by graphene sheets, which serves as an extended current conductor and facilitates charge transfer, ionic reversibility, and ionic transportation.« less

Enabling high rate charge and discharge capability, low internal resistance, and excellent cycleability for Li-ion batteries utilizing graphene additives

DOE PAGES

Tsai, Hsiu-Ling; Hsieh, Chien-Te; Li, Jianlin; ...

2018-03-27

A liquid-phase mixing method is adopted to uniformly disperse the graphene nanosheets onto LiNi 1/3Co 1/3Mn 1/3O 2 cathode for high-performance Li-ion batteries (LIBs). The electrochemical performance was characterized using a full pouch cells with state-of-the-art electrode areal loading (compared to half coin cells). The addition of graphene sheets (i.e., only 1 wt%) significantly improves the high rate capability for charging and discharging operation. For example, 6 times improvement in 5 C charging was achieved providing further insights in enabling extreme fast charging for LIBs. Other benefits include longer cycleability, lower internal resistance, and higher lithium ion diffusion coefficient, demonstratedmore » by charge-discharge cycling tests and electrochemical impedance spectroscopy. Higher capacity retention of 88.2% and decreased internal resistance of ~0.9 Ω are observed after 400 cycles. The diffusion coefficient of Li ions is 6.49 × 10 -8 cm 2 s -1 when charged to 4.2 V, which is approximately 1.37 times higher compared to the configuration with no graphene sheet (4.74 × 10 -8 cm 2 s -1). To conclude, the improved performance is ascribed to a robust network among the active materials formed by graphene sheets, which serves as an extended current conductor and facilitates charge transfer, ionic reversibility, and ionic transportation.« less

Three-dimensional structure of the human immunodeficiency virus type 1 matrix protein.

PubMed

Massiah, M A; Starich, M R; Paschall, C; Summers, M F; Christensen, A M; Sundquist, W I

1994-11-25

The HIV-1 matrix protein forms an icosahedral shell associated with the inner membrane of the mature virus. Genetic analyses have indicated that the protein performs important functions throughout the viral life-cycle, including anchoring the transmembrane envelope protein on the surface of the virus, assisting in viral penetration, transporting the proviral integration complex across the nuclear envelope, and localizing the assembling virion to the cell membrane. We now report the three-dimensional structure of recombinant HIV-1 matrix protein, determined at high resolution by nuclear magnetic resonance (NMR) methods. The HIV-1 matrix protein is the first retroviral matrix protein to be characterized structurally and only the fourth HIV-1 protein of known structure. NMR signal assignments required recently developed triple-resonance (1H, 13C, 15N) NMR methodologies because signals for 91% of 132 assigned H alpha protons and 74% of the 129 assignable backbone amide protons resonate within chemical shift ranges of 0.8 p.p.m. and 1 p.p.m., respectively. A total of 636 nuclear Overhauser effect-derived distance restraints were employed for distance geometry-based structure calculations, affording an average of 13.0 NMR-derived distance restraints per residue for the experimentally constrained amino acids. An ensemble of 25 refined distance geometry structures with penalties (sum of the squares of the distance violations) of 0.32 A2 or less and individual distance violations under 0.06 A was generated; best-fit superposition of ordered backbone heavy atoms relative to mean atom positions afforded root-mean-square deviations of 0.50 (+/- 0.08) A. The folded HIV-1 matrix protein structure is composed of five alpha-helices, a short 3(10) helical stretch, and a three-strand mixed beta-sheet. Helices I to III and the 3(10) helix pack about a central helix (IV) to form a compact globular domain that is capped by the beta-sheet. The C-terminal helix (helix V) projects away from the beta-sheet to expose carboxyl-terminal residues essential for early steps in the HIV-1 infectious cycle. Basic residues implicated in membrane binding and nuclear localization functions cluster about an extruded cationic loop that connects beta-strands 1 and 2. The structure suggests that both membrane binding and nuclear localization may be mediated by complex tertiary structures rather than simple linear determinants.

Possibility of a ferromagnetic and conducting metal-organic network

NASA Astrophysics Data System (ADS)

Mabrouk, Manel; Hayn, Roland; Denawi, Hassan; Ben Chaabane, Rafik

2018-05-01

In this paper, we present first principles calculations based on the spin-polarized generalized gradient approximation with on-site Coulomb repulsion term (SGGA + U), to explore the electronic and magnetic properties of the novel planar metal-organic networks TM-Pc and TM-TCNB (where TM means a transition metal of the 3d series: Ti, V, Cr, …, or Zn, Pc - Phthalocyanine, and TCNB - Tetracyanobenzene) as free-standing sheets. This work is an extension of two earlier research works dealing with the Mn (Mabrouk et al., 2015) and Fe (Mabrouk et al., 2017) cases. Our theoretical investigations demonstrate that TM-Pc are more stable than TM-TCNB. Our results unveil that all the TM-Pc frameworks have an insulating behavior with the exception of Mn-Pc which is half-metallic and favor antiferromagnetic order in the case of our magnetic systems except for V-Pc which is ferromagnetic. In contrast, the TM-TCNB networks are metallic at least in one spin direction and exhibit long-range ferromagnetic coupling in case for magnetic structures, which represent ideal candidates and an interesting prospect of unprecedented applications in spintronics. In addition, these results may shed light to achieve a new pathway on further experimental research in molecular spintronics.

Stretchable, weavable coiled carbon nanotube/MnO2/polymer fiber solid-state supercapacitors.

PubMed

Choi, Changsoon; Kim, Shi Hyeong; Sim, Hyeon Jun; Lee, Jae Ah; Choi, A Young; Kim, Youn Tae; Lepró, Xavier; Spinks, Geoffrey M; Baughman, Ray H; Kim, Seon Jeong

2015-03-23

Fiber and yarn supercapacitors that are elastomerically deformable without performance loss are sought for such applications as power sources for wearable electronics, micro-devices, and implantable medical devices. Previously reported yarn and fiber supercapacitors are expensive to fabricate, difficult to upscale, or non-stretchable, which limits possible use. The elastomeric electrodes of the present solid-state supercapacitors are made by using giant inserted twist to coil a nylon sewing thread that is helically wrapped with a carbon nanotube sheet, and then electrochemically depositing pseudocapacitive MnO2 nanofibers. These solid-state supercapacitors decrease capacitance by less than 15% when reversibly stretched by 150% in the fiber direction, and largely retain capacitance while being cyclically stretched during charge and discharge. The maximum linear and areal capacitances (based on active materials) and areal energy storage and power densities (based on overall supercapacitor dimensions) are high (5.4 mF/cm, 40.9 mF/cm(2), 2.6 μWh/cm(2) and 66.9 μW/cm(2), respectively), despite the engineered superelasticity of the fiber supercapacitor. Retention of supercapacitor performance during large strain (50%) elastic deformation is demonstrated for supercapacitors incorporated into the wristband of a glove.

Comparative c-type cytochrome expression analysis in Shewanella oneidensis strain MR-1 and Anaeromyxobacter dehalogenans strain 2CP-C grown with soluble and insoluble oxidised metal electron acceptors

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

Nissen, Silke; Liu, Xiaoxin; Chourey, Karuna

2012-01-01

The genomes of Shewanella oneidensis strain MR-1 and Anaeromyxobacter dehalogenans strain 2CP-C encode 40 and 69 putative c-type cytochrome genes, respectively. Deletion mutant and biochemical studies have assigned specific functions to a few c-type cytochromes involved in electron transfer to oxidised metals in Shewanella oneidensis strain MR-1. Although promising, the genetic approach is limited to gene deletions that produce a distinct phenotype, and organism for which a genetic system is available. To more comprehensively investigate and compare c-type cytochrome expression in Shewanella oneidensis strain MR-1 and Anaeromyxobacter dehalogenans strain 2CP-C, proteomic measurements were used to characterise lysates of cells grownmore » with soluble Fe(III) (as ferric citrate) and insoluble Mn(IV) (as MnO2) as electron acceptors. Strain MR-1 expressed 19 and 20, and strain 2CP-C expressed 27 and 25 c-type cytochromes when grown with Fe(III) and Mn(IV), respectively. The majority of c-type cytochromes (77% for strain MR-1 and 63% for strain 2CP-C) were expressed under both growth conditions; however, the analysis also revealed unique c-type cytochromes that were specifically expressed in cells grown with soluble Fe(III) or insoluble Mn(IV). Proteomic characterisation proved to be a promising approach for determining the c-type cytochrome complement expressed under different growth conditions, and will help elucidating the specific functions of more c-type cytochromes that are the basis for Shewanella and Anaeromyxobacter respiratory versatility.« less

A Dyadic Interactive Approach to the Study of Leader Behavior

DTIC Science & Technology

1975-07-01

supervisors and workers in a bogus greeting card company performed experimental tasks involving construction of " origami " cranes. The following variables...comprised of a supervisor and three workers who, in turn, were assigned the task of producing " origami " paper cranes and were paid on a piece-rate basis...behaviors as he inter- acted with his followers. Experimental Task The experimental task involved the construction of " origami " cranes from sheets of

Over the counter drugs (and dietary supplement) exercise: a team-based introduction to biochemistry for health professional students.

PubMed

Phadtare, Sangita; Abali, Emine; Brodsky, Barbara

2013-01-01

For successful delivery of basic science topics for health-professional students, it is critical to reduce apprehension and illustrate relevance to clinical settings and everyday life. At the beginning of the Biochemistry course for Physician Assistants, a team-based assignment was designed to develop an understanding of the mechanism of action, effectiveness, and toxicity of five common over the counter (OTC) drugs and dietary supplements, and place these familiar medicines in a political and historical context. The objectives of this exercise were to stimulate interest in biochemistry; to provide basic information on enzymes and enzyme inhibitors related to these drugs to be expanded upon later in the course; and to encourage active and interactive learning. Teams of five students were formed, and each student was given an information sheet on aspirin, alpha-galactosidase, orlistat, dextromethorphan, or simvastatin, a low dose statin, which was previously available without prescription at pharmacies in the UK. After each member of the team acquired information on one OTC drug/dietary supplement by reading an assigned information sheet, the team was asked to go through a series of questions, and then submit answers to a quiz as a group. A high rate of success on the quiz, an overwhelmingly positive response on formal course evaluations, and enthusiastic exchanges during class suggested this team-based session accomplished its goals. Copyright © 2013 Wiley-Liss, Inc.

Usefulness of FTIR spectroscopy to distinguish rough and smooth variants of Lactobacillus farciminis CNCM-I-3699.

PubMed

Tareb, R; Bernardeau, M; Amiel, C; Vernoux, J P

2017-02-01

In this study, the potential of Fourier transform infrared (FTIR) spectroscopy for assessing putative biochemical and structural differences between the two variants, rough (R) and smooth (S), of Lactobacillus farciminis CNCM-I-3699, a pleomorphic strain, was investigated. The main differences observed were localized in the polysaccharide (1200-900 cm-1) and protein (1700-1500 cm-1) regions. Based on spectral information in these two spectral ranges, clustering resulted in a dendrogram that showed a clear discrimination between both morphotypes. Significant increases in favor of morphotype S compared to R at specific wavenumbers for polysaccharides (22.18% vs. 5.24% at 1068 cm-1) and capsular polysaccharides (16% vs. 13.17% at 1048 cm-1) were recorded. Compared to S, the morphotype R exhibits a 1.27-fold higher signal at the wavenumber of 1637 cm-1 assigned to the amide I β-sheet and a 2.71-fold higher signal at the wavenumber of 1513 cm-1 assigned to the tyrosine involved in the β-sheet arrangement of proteins. The FTIR analysis is efficient to separate and give data on mainly surface component differences observed previously between S colony morphotype (ropy and exopolysaccharide positive) and the R colony morphotype (non-ropy but highly autoaggregative). © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

CO₂ and O₂ evolution at high voltage cathode materials of Li-ion batteries: a differential electrochemical mass spectrometry study.

PubMed

Wang, Hongsen; Rus, Eric; Sakuraba, Takahito; Kikuchi, Jun; Kiya, Yasuyuki; Abruña, Héctor D

2014-07-01

A three-electrode differential electrochemical mass spectrometry (DEMS) cell has been developed to study the oxidative decomposition of electrolytes at high voltage cathode materials of Li-ion batteries. In this DEMS cell, the working electrode used was the same as the cathode electrode in real Li-ion batteries, i.e., a lithium metal oxide deposited on a porous aluminum foil current collector. A charged LiCoO2 or LiMn2O4 was used as the reference electrode, because of their insensitivity to air, when compared to lithium. A lithium sheet was used as the counter electrode. This DEMS cell closely approaches real Li-ion battery conditions, and thus the results obtained can be readily correlated with reactions occurring in real Li-ion batteries. Using DEMS, the oxidative stability of three electrolytes (1 M LiPF6 in EC/DEC, EC/DMC, and PC) at three cathode materials including LiCoO2, LiMn2O4, and LiNi(0.5)Mn(1.5)O4 were studied. We found that 1 M LiPF6 + EC/DMC electrolyte is quite stable up to 5.0 V, when LiNi(0.5)Mn(1.5)O4 is used as the cathode material. The EC/DMC solvent mixture was found to be the most stable for the three cathode materials, while EC/DEC was the least stable. The oxidative decomposition of the EC/DEC mixture solvent could be readily observed under operating conditions in our cell even at potentials as low as 4.4 V in 1 M LiPF6 + EC/DEC electrolyte on a LiCoO2 cathode, as indicated by CO2 and O2 evolution. The features of this DEMS cell to unveil solvent and electrolyte decomposition pathways are also described.

Comparison of efficacy of silicone gel, silicone gel sheeting, and topical onion extract including heparin and allantoin for the treatment of postburn hypertrophic scars.

PubMed

Karagoz, Huseyin; Yuksel, Fuat; Ulkur, Ersin; Evinc, Rahmi

2009-12-01

We compared the efficacy of silicone gel (Scarfade), silicone gel sheet (Epi-Derm), and topical onion extract including heparin and allantoin (Contractubex) for the treatment of hypertrophic scars. Forty-five postburn scars were included in the study. Patients with scars less than 6 months from injury were assigned at random to three groups each containing 15 scars, and their treatment was continued for 6 months. Scars were treated with Scarfade, Epiderm and Contractubex. Scar assessment was performed at the beginning of the treatment, and at the end of the sixth month when the treatment was completed by using the Vancouver scar scale. The difference between before and after treatment scores for each three groups was statistically significant. The difference between Scarfade group and Epi-Derm group was not significant; however, the differences of the other groups (Scarfade-Contractubex, Epiderm-Contractubex) were significant. Silicone products, either in gel or sheet, are superior to Contractubex in the treatment of the hypertrophic scar. The therapist should select the most appropriate agent according to the patient's need and guidelines of these signs.

Microstructure, Mechanical Properties, Hot-Die Forming, and Joining of 47XD Gamma TiAl Rolled Sheets

NASA Technical Reports Server (NTRS)

Das, G.; Draper, S.; Whittenberger, J. D.; Bartolotta, P. A.

2001-01-01

The microstructure and mechanical properties, along with the hot-die forming and joining of Ti-47Al-2Nb-2Mn-0.8 vol% TiB, sheets (known as 47XD), produced by a low-cost rolling process, were evaluated. A near-gamma microstructure was obtained in the as-rolled condition. The microstructures of heat-treated sheets ranged from a recrystallized equiaxed near-gamma microstructure at 1,200 to 1,310 C, to a duplex microstructure at 1,350 C, to a fully lamellar microstructure at 1,376 C. Tensile behavior was determined for unidirectionally rolled and cross-rolled sheets for room temperature (RT) to 816 C. Yield stress decreased gradually with increasing deformation temperature up to 704 C; above 704 C, it declined rapidly. Ultimate tensile strength exhibited a gradual decrease up to 537 C before peaking at 704 C, followed by a rapid decline at 816 C. The modulus showed a gradual decrease with temperature, reaching approximately 72% of the RT value at 816 C. Strain to failure increased slowly from RT to 537 C; between 537 C and 704 C it exhibited a phenomenal increase, suggesting that the ductile-brittle transition temperature was below 704 C. Fracture mode changed from transgranular fracture at low temperature, to a mixture of transgranular and intergranular fracture at intermediate temperature, to ductile fracture at 816 C, coupled with dynamic recrystallization at large strains. Creep rupture response was evaluated between 649 and 816 C over the stress range of 69 to 276 MPa. Deformation parameters for steady-state creep rate and time-to-rupture were similar: activation energies of approximately 350 kJ/mol and stress exponents of approximately 4.5. Hot-die forming of sheets into corrugations was done at elevated temperatures in vacuum. The process parameters to join sheets by diffusion bonding and brazing with TiCuNi 70 filler alloy were optimized for test coupons and successfully used to fabricate large truss-core and honeycomb structures. Nondestructive evaluation methods, e.g., ultrasonic C-scans and thermography along with metallography, were used to characterize bond quality. Microstructural evaluation during heat treatment, identification of phases at the braze/matrix interface, determination of shear strengths of brazed joints, and deformation mechanisms during tensile and creep processes will be discussed.

EnviroAtlas - Minneapolis/St. Paul, MN - 51m Riparian Buffer Vegetated Cover

EPA Pesticide Factsheets

This EnviroAtlas dataset describes the percentage of a 51-m riparian buffer that is vegetated. In this community, vegetated cover is defined as Trees and Forest, Grass and Herbaceous, Woody Wetlands, and Emergent Wetlands. There is a potential for decreased water quality in areas where the riparian buffer is less vegetated. The displayed line represents the center of the analyzed riparian buffer. The water bodies analyzed include hydrologically connected streams, rivers, connectors, reservoirs, lakes/ponds, ice masses, washes, locks, and rapids within the EnviroAtlas community area. This dataset was produced by the US EPA to support research and online mapping activities related to EnviroAtlas. EnviroAtlas (https://www.epa.gov/enviroatlas) allows the user to interact with a web-based, easy-to-use, mapping application to view and analyze multiple ecosystem services for the contiguous United States. The dataset is available as downloadable data (https://edg.epa.gov/data/Public/ORD/EnviroAtlas) or as an EnviroAtlas map service. Additional descriptive information about each attribute in this dataset can be found in its associated EnviroAtlas Fact Sheet (https://www.epa.gov/enviroatlas/enviroatlas-fact-sheets).

Magnetic Structure and Exchange Interactions in Quasi-One-Dimensional MnCl 2(urea) 2

DOE PAGES

Manson, Jamie L.; Huang, Qing-zhen; Brown, Craig M.; ...

2015-12-08

MnCl 2(urea) 2 is a new linear chain coordination polymer that exhibits slightly counter-rotated Mn 2Cl 2 rhomboids along the chain-axis. The material crystallizes in the noncentrosymmetric orthorhombic space group Iba2, with each Mn(II) ion equatorially surrounded by four Cl – that lead to bibridged ribbons. Additionally, urea ligands coordinate via O atoms in the axial positions. Hydrogen bonds of the Cl···H–N and O···H–N type link the chains into a quasi-3D network. Magnetic susceptibility data reveal a broad maximum at 9 K that is consistent with short-range magnetic order. Pulsed-field magnetization measurements conducted at 0.6 K show that a fullymore » polarized magnetic state is achieved at B sat = 19.6 T with another field-induced phase transition occurring at 2.8 T. Zero-field neutron diffraction studies made on a powdered sample of MnCl 2(urea) 2 reveal that long-range magnetic order occurs below T N = 3.2(1) K. Additional Bragg peaks due to antiferromagnetic (AFM) ordering can be indexed according to the Ib'a2' magnetic space group and propagation vector τ = [0, 0, 0]. Rietveld profile analysis of these data revealed a Néel-type collinear ordering of Mn(II) ions with an ordered magnetic moment of 4.06(6) μ B (5 μ B is expected for isotropic S = 5/2) oriented along the b-axis, i.e., perpendicular to the chain-axis that runs along the c-direction. Owing to the potential for spatial exchange anisotropy and the pitfalls in modeling bulk magnetic data, we analyzed inelastic neutron scattering data to retrieve the exchange constants: J c = 2.22 K (intrachain), J a = -0.10 K (interchain), and D = -0.14 K with J > 0 assigned to AFM coupling. Lastly, this J configuration is most unusual and contrasts the more commonly observed AFM interchain coupling of 1D chains.« less

Role of a Water Network around the Mn4CaO5 Cluster in Photosynthetic Water Oxidation: A Fourier Transform Infrared Spectroscopy and Quantum Mechanics/Molecular Mechanics Calculation Study.

PubMed

Nakamura, Shin; Ota, Kai; Shibuya, Yuichi; Noguchi, Takumi

2016-01-26

Photosynthetic water oxidation takes place at the Mn4CaO5 cluster in photosystem II. Around the Mn4CaO5 cluster, a hydrogen bond network is formed by several water molecules, including four water ligands. To clarify the role of this water network in the mechanism of water oxidation, we investigated the effects of the removal of Ca(2+) and substitution with metal ions on the vibrations of water molecules coupled to the Mn4CaO5 cluster by means of Fourier transform infrared (FTIR) difference spectroscopy and quantum mechanics/molecular mechanics (QM/MM) calculations. The OH stretching vibrations of nine water molecules forming a network between D1-D61 and YZ were calculated using the QM/MM method. On the the calculated normal modes, a broad positive feature at 3200-2500 cm(-1) in an S2-minus-S1 FTIR spectrum was attributed to the vibrations of strongly hydrogen-bonded OH bonds of water involving the vibrations of water ligands to a Mn ion and the in-phase coupled vibration of a water network connected to YZ, while bands in the 3700-3500 cm(-1) region were assigned to the coupled vibrations of weakly hydrogen-bonded OH bonds of water. All the water bands were lost upon Ca(2+) depletion and Ba(2+) substitution, which inhibit the S2 → S3 transition, indicating that a solid water network was broken by these treatments. By contrast, Sr(2+) substitution slightly altered the water bands around 3600 cm(-1), reflecting minor modification in water interactions, consistent with the retention of water oxidation activity with a decreased efficiency. These results suggest that the water network around the Mn4CaO5 cluster plays an essential role in the water oxidation mechanism particularly in a concerted process of proton transfer and water insertion during the S2 → S3 transition.

Magnetic behavior control in niccolite structural metal formate frameworks [NH2(CH3)2][Fe(III)M(II)(HCOO)6] (M = Fe, Mn, and Co) by varying the divalent metal ions.

PubMed

Zhao, Jiong-Peng; Hu, Bo-Wen; Lloret, Francesc; Tao, Jun; Yang, Qian; Zhang, Xiao-Feng; Bu, Xian-He

2010-11-15

By changing template cation but introducing trivalent iron ions in the known niccolite structural metal formate frameworks, three complexes formulated [NH(2)(CH(3))(2)][Fe(III)M(II)(HCOO)(6)] (M = Fe for 1, Mn for 2, and Co for 3) were synthesized and magnetically characterized. The variation in the compositions of the complexes leads to three different complexes: mixed-valent complex 1, heterometallic but with the same spin state complex 2, and heterometallic heterospin complex 3. The magnetic behaviors are closely related to the divalent metal ions used. Complex 1 exhibits negative magnetization assigned as Néel N-Type ferrimagnet, with an asymmetric magnetization reversal in the hysteresis loop, and complex 2 is an antiferromagnet with small spin canting (α(canting) ≈ 0.06° and T(canting) = 35 K), while complex 3 is a ferrimagnet with T(N) = 32 K.

Security analysis and enhanced user authentication in proxy mobile IPv6 networks

PubMed Central

Kang, Dongwoo; Jung, Jaewook; Lee, Donghoon; Kim, Hyoungshick

2017-01-01

The Proxy Mobile IPv6 (PMIPv6) is a network-based mobility management protocol that allows a Mobile Node(MN) connected to the PMIPv6 domain to move from one network to another without changing the assigned IPv6 address. The user authentication procedure in this protocol is not standardized, but many smartcard based authentication schemes have been proposed. Recently, Alizadeh et al. proposed an authentication scheme for the PMIPv6. However, it could allow an attacker to derive an encryption key that must be securely shared between MN and the Mobile Access Gate(MAG). As a result, outsider adversary can derive MN’s identity, password and session key. In this paper, we analyze Alizadeh et al.’s scheme regarding security and propose an enhanced authentication scheme that uses a dynamic identity to satisfy anonymity. Furthermore, we use BAN logic to show that our scheme can successfully generate and communicate with the inter-entity session key. PMID:28719621

Electronic spectroscopy of HRe(CO) 5: a CASSCF/CASPT2 and TD-DFT study

NASA Astrophysics Data System (ADS)

Bossert, J.; Ben Amor, N.; Strich, A.; Daniel, C.

2001-07-01

The low-lying excited states of HRe(CO) 5 have been calculated at the CASSCF/CASPT2 and TD-DFT level of theory using relativistic effective core potentials (ECP) or ab initio model potentials (AIMP). The theoretical absorption spectrum is compared to the experimental one. Despite the similarity between the experimental absorption spectra of HMn(CO) 5 and HRe(CO) 5 in the UV/visible energy domain it is shown that the assignment differs significantly between the two molecules. The low-lying excited states of HRe(CO) 5 correspond to 5d→π *CO excitations whereas the spectrum of HMn(CO) 5 consists mainly of 3d→3d and 3d→ σ*Mn-H excitations. If the CASPT2 and TD-DFT results are quite comparable for the lowest excited states, the upper part assignment is more problematic with the TD-DFT method.

Interstitial Fe in MgO

NASA Astrophysics Data System (ADS)

Mølholt, T. E.; Mantovan, R.; Gunnlaugsson, H. P.; Svane, A.; Masenda, H.; Naidoo, D.; Bharuth-Ram, K.; Fanciulli, M.; Gislason, H. P.; Johnston, K.; Langouche, G.; Ólafsson, S.; Sielemann, R.; Weyer, G.

2014-01-01

Isolated 57Fe atoms were studied in MgO single-crystals by emission Mössbauer spectroscopy following implantation of 57Mn decaying to 57Fe. Four Mössbauer spectral components were found corresponding to different Fe lattice positions and/or charge states. Two components represent Fe atoms substituting Mg as Fe2+ and Fe3+, respectively; a third component is due to Fe in a strongly implantation-induced disturbed region. The fourth component, which is the focus of this paper, can be assigned to Fe at an interstitial site. Comparison of its measured isomer shift with ab initio calculations suggests that the interstitial Fe is located on, or close to, the face of the rock-salt MgO structure. To harmonize such an assignment with the measured near-zero quadrupole interaction a local motion process (cage motion) of the Fe has to be stipulated. The relation of such a local motion as a starting point for long range diffusion is discussed.

Determining the Sensitivity of the Hf-Nd Proxy to Glacial Weathering

NASA Astrophysics Data System (ADS)

Namsinh, A.; Scher, H.; Piotrowski, A. M.

2017-12-01

The history of polar ice sheets through the Cenozoic is incompletely known. Estimates of the onset of northern hemisphere glaciation range from the Pliocene to mid-Eocene and precursor Antarctic glaciations are believed to have commenced in the middle Eocene. Uncertainty surrounding the history of ice sheets has resulted in debates about the sensitivity of ice sheets to changes in atmospheric CO2 through the Cenozoic. Geochemical proxies for continental weathering — particularly those that are sensitive to mechanical breakdown of the upper continental crust by ice sheets — could improve the fidelity of paleoclimate reconstructions of ice sheet history. Coupled hafnium (Hf) and neodymium (Nd) isotopes in seawater and authigenic sediment phases show a strong correlation with mechanical weathering rates, however the proxy has not been systematically tested on Pleistocene time scales. We measured the Hf and Nd isotope ratios of authigenic and detrital phases of sediment cores from 1150 m to 4045 m depth on the Rockall Plateau in the NE Atlantic Ocean. Our study is limited to the LGM, deglaciation and Holocene intervals. The authigenic fraction was extracted from bulk sediments by leaching with dilute hydroxylamine hydrochloride and EDTA to prevent readsorption of Hf. A stronger leach solution was then used to isolate the terrigenous detrital fraction. The fidelity of the seawater signal obtained by leaching is assessed by comparison of leachate eNd values to previously published eNd values from uncleaned forams from the same depth intervals. Initial tests with Holocene and deglacial samples verify that leachate eNd values are statistically indistinguishable from uncleaned forams. Shale-normalized REE patterns for leachates reveal negative Ce anomalies and a MREE enrichment typical of Fe-Mn oxydydroxide phases. Coupled Hf-Nd isotopes from authigenic leachates from our initial tests fall along the Seawater Array when plotted on a Hf-Nd isotope diagram, confirming that a primary seawater Hf isotope signal can also be extracted from authigenic leachates. Further isotopic analysis of these cores, including the LGM intervals, will reveal if changes in weathering style through the deglaciation resulted in decoupling of Hf and Nd isotopes, which may be expressed as a deviation from the Seawater Array.

Distinct effects of Al3+ doping on the structure and properties of hexagonal turbostratic birnessite: A comparison with Fe3+ doping

NASA Astrophysics Data System (ADS)

Yin, Hui; Kwon, Kideok D.; Lee, Jin-Yong; Shen, Yi; Zhao, Huaiyan; Wang, Xiaoming; Liu, Fan; Zhang, Jing; Feng, Xionghan

2017-07-01

Hexagonal turbostratic birnessite, one of the most reactive Mn oxide minerals, is ubiquitous throughout the ocean floor to the surface environment. During its crystallization, birnessite may coexist with Al3+, which is the third most abundant crustal element. However, interactions of Al3+ with birnessite compared to the transition metal (TM) ions have rarely been explored thus far. This study examines the structure and properties of Al3+-doped hexagonal turbostratic birnessite to obtain insights into the interaction of metal cations with birnessite-like minerals in natural environments. For Al3+-incorporated birnessite, the crystal chemistry of Al3+, as well as alteration in the mineral structure, physicochemical properties, and reactivity toward the sorption of Pb2+/Zn2+ is investigated by powder X-ray diffraction, chemical analysis, Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy, and X-ray absorption spectroscopy. Electronic structure calculations based on density functional theory (DFT) are further combined to aid in the experimental interpretation of Al3+ incorporation. As a comparative system, Fe3+-coprecipitated birnessite is also examined. Under the experimental conditions used, only a small amount of Al3+ is incorporated into birnessite, with a final Al/(Al + Mn) molar ratio of ∼0.07, whereas Fe3+ is incorporated into birnessite with a final Fe/(Fe + Mn) molar ratio of up to ∼0.21. Irrespective of metal type, the incorporation of a metal cation significantly alters the physicochemical properties of birnessite, such as decrease in the thickness of crystals along the c∗ axis and coherent scattering domain sizes in the a-b plane and the Mn average oxidation state, increase in the specific surface area and the total amount of hydroxyl groups, in which the contents of hydroxyl groups around vacancies are decreased. The lattice parameters in the a-b plane tend to decrease in Al-incorporated birnessites but first significantly decrease and then increase in Fe-incorporated birnessites. In Fe-incorporated birnessites, ∼32-50% of the total Fe3+ is located inside the Mn octahedral sheets (INC species). In Al-incorporated birnessites, the edge- and corner-sharing Mn-Mn distances gradually decrease. Density function theory (DFT) computation results support that the dominant species in Al-birnessite is a triple-corner-sharing complex on vacancies. The DFT geometry optimization further demonstrates that the in-plane cell size experimentally observed for these birnessites depends on not only the metal type but also its position in the mineral. The Al- or Fe-birnessites exhibit significantly increased adsorption capacities for Pb2+ but reduced capacities for Zn2+. The metal incorporation effects on the chemical reactivity are discussed with the observed changes in the particle size and available vacancy sites.

Dehydration of main-chain amides in the final folding step of single-chain monellin revealed by time-resolved infrared spectroscopy

PubMed Central

Kimura, Tetsunari; Maeda, Akio; Nishiguchi, Shingo; Ishimori, Koichiro; Morishima, Isao; Konno, Takashi; Goto, Yuji; Takahashi, Satoshi

2008-01-01

Kinetic IR spectroscopy was used to reveal β-sheet formation and water expulsion in the folding of single-chain monellin (SMN) composed of a five-stranded β-sheet and an α-helix. The time-resolved IR spectra between 100 μs and 10 s were analyzed based on two consecutive intermediates, I1 and I2, appearing within 100 μs and with a time constant of ≈100 ms, respectively. The initial unfolded state showed broad amide I′ corresponded to a fluctuating conformation. In contrast, I1 possessed a feature at 1,636 cm−1 for solvated helix and weak features assignable to turns, demonstrating the rapid formation of helix and turns. I2 possessed a line for solvated helix at 1,637 cm−1 and major and minor lines for β-sheet at 1,625 and 1,680 cm−1, respectively. The splitting of the major and minor lines is smaller than that of the native state, implying an incomplete formation of the β-sheet. Furthermore, both major and minor lines demonstrated a low-frequency shift compared to those of the native state, which was interpreted to be caused by hydration of the CO group in the β-sheet. Together with the identification of solvated helix, the core domain of I2 was interpreted as being hydrated. Finally, slow conversion of the water-penetrated core of I2 to the dehydrated core of the native state was observed. We propose that both the expulsion of water, hydrogen-bonded to main-chain amides, and the completion of the secondary structure formation contribute to the energetic barrier of the rate-limiting step in SMN folding. PMID:18757727

Interface between hospital and fire authorities--a concept for management of incidents in hospitals.

PubMed

Gretenkort, Peter; Harke, Henning; Blazejak, Jan; Pache, Bernd; Leledakis, Georgios

2002-01-01

Although every hospital needs a security plan for the support of immobile patients who do not possess autonomous escape capabilities, little information exists to assist in the development of practical patient evacuation methods. 1) In hospitals during disasters, incident leadership of the fire authorities can be supported effectively by hospital executives experienced in the management of mass casualties; and 2) As an alternative for canvas carry sheets, rescue drag sheets can be employed for emergency, elevator-independent, patient evacuation. A hospital evacuation exercise was planned and performed to obtain experiences in incident command and to permit calculation of elevator-independent patient transport times. Performance of incident leadership was observed by means of pre-defined checklists. The effectiveness and efficiency of carrying teams with five persons each were compared to those with a rescue drag sheet employed by a single person. Incident command for hospitals during a disaster is enhanced considerably by pre-defined and trained executives who are placed at the immediate disposal of the fire authorities. For elevator-independent patient transport, the rescue drag sheet was superior to conventional carrying measures because of a reduced number of transport personnel required to move each patient. With this method, patient transport times averaged 54 m/min. flat and 18 seconds for one floor descent. Experiences from a hospital during an evacuation exercise provided decision criteria for changes in the disaster preparedness plan. Hospital incident leadership was assigned to executives-in-charge in close co-operation with the fire authorities. All beds were equipped with a rescue drag sheet. Both concepts may help to cope with an emergency evacuation of a hospital.

Higher-order molecular packing in amyloid-like fibrils constructed with linear arrangements of hydrophobic and hydrogen-bonding side-chains.

PubMed

Saiki, Masatoshi; Honda, Shinya; Kawasaki, Kazunori; Zhou, Deshan; Kaito, Akira; Konakahara, Takeo; Morii, Hisayuki

2005-05-13

Various mutants of the protein fragment, barnase module-1 (1-24) were investigated in order to reveal the structural principle of amyloid-like fibrils. By means of circular dichroism spectroscopy, X-ray diffraction, electron microscopy, and thioflavin T binding assay, we found that the molecules containing two beta-strands and an intervening turn structure are assembled to form a cross-beta structure. Stabilization by both the hydrophobic interactions and hydrogen bonding between the respective paired side-chains on the coupled beta-strands was essential for fibril formation. These two types of interaction can also arrange the corresponding residues in lines on both sheet surfaces of protofilaments with a cross-beta structure. This leads to the most probable fibril structure constructed with the line-matching interactions between protofilaments. Consideration of the geometrical symmetry resulted in our finding that a limited number of essential models for molecular packing in fibril structure are stable, which would rationally explain the occurrence of two or three morphologies from an identical molecular species. The ribbon-like fibrils exhibited striped texture along the axis, which was assigned to a stacked two-sheet repeat as a structural unit. The comprehensively proposed structural model, that is, the sheet-sheet interaction between left-handed cross-beta structures, results in a slightly right-handed twist of beta-sheet stacking, which reasonably elucidates the intrinsic sizes of the fibril width and its helical period along the fibril axis, as the bias in the orientation of the hydrogen-bonded beta-strand pair at the lateral edge is larger than that at the central protofilament.

The Cryosphere Model Comparison Tool (CmCt): Ice Sheet Model Validation and Comparison Tool for Greenland and Antarctica

NASA Astrophysics Data System (ADS)

Simon, E.; Nowicki, S.; Neumann, T.; Tyahla, L.; Saba, J. L.; Guerber, J. R.; Bonin, J. A.; DiMarzio, J. P.

2017-12-01

The Cryosphere model Comparison tool (CmCt) is a web based ice sheet model validation tool that is being developed by NASA to facilitate direct comparison between observational data and various ice sheet models. The CmCt allows the user to take advantage of several decades worth of observations from Greenland and Antarctica. Currently, the CmCt can be used to compare ice sheet models provided by the user with remotely sensed satellite data from ICESat (Ice, Cloud, and land Elevation Satellite) laser altimetry, GRACE (Gravity Recovery and Climate Experiment) satellite, and radar altimetry (ERS-1, ERS-2, and Envisat). One or more models can be uploaded through the CmCt website and compared with observational data, or compared to each other or other models. The CmCt calculates statistics on the differences between the model and observations, and other quantitative and qualitative metrics, which can be used to evaluate the different model simulations against the observations. The qualitative metrics consist of a range of visual outputs and the quantitative metrics consist of several whole-ice-sheet scalar values that can be used to assign an overall score to a particular simulation. The comparison results from CmCt are useful in quantifying improvements within a specific model (or within a class of models) as a result of differences in model dynamics (e.g., shallow vs. higher-order dynamics approximations), model physics (e.g., representations of ice sheet rheological or basal processes), or model resolution (mesh resolution and/or changes in the spatial resolution of input datasets). The framework and metrics could also be used for use as a model-to-model intercomparison tool, simply by swapping outputs from another model as the observational datasets. Future versions of the tool will include comparisons with other datasets that are of interest to the modeling community, such as ice velocity, ice thickness, and surface mass balance.

Use of Polypentapeptides of Elastin to Prevent Postoperative Adhesions: Efficacy in a Contaminated Peritoneal Model

DTIC Science & Technology

1994-02-01

short-gut syndrome, rotomy was conducted to reveal the cranial portion of chronic pain , and female infertility [3, 4]. Many sub- the ileum. The abdominal ...hold the sheets in the proper position. The presence of nal adhesions, chronic abdominal pain , and infertility. Gynecol. suture material acting as a...intra- abdominal landmarks. Opera- of 88 rats were studied with random assignment of ani- tions in this situation are often associated with mals to three

The GLAS Standard Data Products Specification--Level 2, Version 9. Volume 14

NASA Technical Reports Server (NTRS)

Lee, Jeffrey E.

2013-01-01

The Geoscience Laser Altimeter System (GLAS) is the primary instrument for the ICESat (Ice, Cloud and Land Elevation Satellite) laser altimetry mission. ICESat was the benchmark Earth Observing System (EOS) mission for measuring ice sheet mass balance, cloud and aerosol heights, as well as land topography and vegetation characteristics. From 2003 to 2009, the ICESat mission provided multi-year elevation data needed to determine ice sheet mass balance as well as cloud property information, especially for stratospheric clouds common over polar areas. It also provided topography and vegetation data around the globe, in addition to the polar-specific coverage over the Greenland and Antarctic ice sheets.This document defines the Level-2 GLAS standard data products. This document addresses the data flow, interfaces, record and data formats associated with the GLAS Level 2 standard data products. The term standard data products refers to those EOS instrument data that are routinely generated for public distribution. The National Snow and Ice Data Center (NSDIC) distribute these products. Each data product has a unique Product Identification code assigned by the Senior Project Scientist. The Level 2 Standard Data Products specifically include those derived geophysical data values (i.e., ice sheet elevation, cloud height, vegetation height, etc.). Additionally, the appropriate correction elements used to transform the Level 1A and Level 1B Data Products into Level 2 Data Products are included. The data are packaged with time tags, precision orbit location coordinates, and data quality and usage flags.

A pilot study of simple interventions to improve informed consent in clinical research: feasibility, approach, and results.

PubMed

Kass, Nancy E; Taylor, Holly A; Ali, Joseph; Hallez, Kristina; Chaisson, Lelia

2015-02-01

Research suggests that participants do not always adequately understand studies. While some consent interventions increase understanding, methodologic challenges have been raised in studying consent outside of actual trial settings. This study examined the feasibility of testing two consent interventions in actual studies and measured effectiveness of interventions in improving understanding. Participants enrolling in any of eight ongoing clinical trials were sequentially assigned to one of three different informed consent strategies for enrollment in their clinical trial. Control participants received standard consent procedures for their trial. Participants in the first intervention arm received a bulleted fact sheet summarizing key study information. Participants in the second intervention arm received the bulleted fact sheet and also engaged in a feedback Q&A session. Later, patients answered closed- and open-ended questions to assess patient understanding and literacy. Descriptive statistics, Wilcoxon -Mann -Whitney and Kruskal-Wallis tests were generated to assess correlations; regression analysis determined predictors of understanding. 144 participants enrolled. Using regression analysis, participants receiving the second intervention scored 7.6 percentage points higher (p = .02) on open-ended questions about understanding than participants in the control, although unadjusted comparisons did not reach statistical significance. Our study supports the hypothesis that patients receiving both bulleted fact sheets and a Q&A session had higher understanding compared to standard consent. Fact sheets and short structured dialog are quick to administer and easy to replicate across studies and should be tested in larger samples. © The Author(s) 2014.

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

Driscoll, P.C.; Clore, G.M.; Beress, L.

The sequential resonance assignment of the {sup 1}H NMR spectrum of the antihypertensive and antiviral protein BDS-I from the sea anemone Anemonia sulcata is presented. This is carried out with two-dimensional NMR techniques to identify through-bond and through-space (< 5{angstrom}) connectivities. Added spectral complexity arises from the fact that the sample is an approximately 1:1 mixture of two BDS-I isoproteins, (Leu-18)-BDS-I and (Phe-18)-BDS-I. Complete assignments, however, are obtained, largely due to the increased resolution and sensitivity afforded at 600 MHz. In addition, the stereospecific assignment of a large number of {beta}-methylene protons is achieved from an analysis of the patternmore » of {sup 3}J{sub {alpha}{beta}} coupling constants and the relative magnitudes of intraresidue NOEs involving the NH, C{sup {alpha}}H, and C{sup {beta}}H protons. Regular secondary structure elements are deduced from a qualitative interpretation of the nuclear Overhauser enhancement, {sup 3}J{sub HN{alpha}} coupling constant, and amide NH exchange data. A triple-stranded antiparallel {beta}-sheet is found to be related to that found in partially homologous sea anemone polypeptide toxins.« less

Study of inelastic decay amplitudes in /sup 51/Mn

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

Whatley, K.M.

1982-01-01

Detailed angular distribution measurments on inelastically scattered protons and de-excitation ..gamma..-rays in the /sup 50/Cr(p,p') and /sup 50/Cr(p,p'..gamma..) reactions were performed for 107 resonances in /sup 51/Mn in the proton energy range 3.0-4.4 MeV. An overall resolution of 425 eV was obtained with the tandem Van de Graaff accelerator and the high resolution system at the Triangle Universities Nuclear Laboratory. Spin and parity assignments for the 107 resonances studied were as follows: 1/2/sup +/ (4); 1/2/sup -/ (6); 3/2/sup -/ (30); 3/2/sup +/ (20); 5/2/sup +/ (38); 5/2/sup -/ (7); 7/2/sup +/ (1); and 9/2/sup +/ (1). Mixing ratios formore » the inelastic decay amplitudes were uniquely determined for all resonances except those assigned J/sup ..pi../ = 1/2/sup +/, 1/2/sup -/, or 3/2/sup +/. For 1/2/sup +/ and 1/2/sup -/ resonances there is only one open decay channel. For 3/2/sup +/ resonances, insufficient information is obtained from this experiment to determine a unique solution for the mixing ratios. Statistical studies were performed on the set of 3/2/sup -/ resonances and on the set of 5/2/sup +/ resonances. Strong channel-channel correlations were observed in the distributions of the reduced widths and the reduced width amplitudes for 5/2/sup +/ resonances. The existence of such correlations is a violation of the extreme statistical model. The present results agree with the reduced width amplitude distribution of Krieger and Porter which includes channel-channel correlations.« less

Ammonia binding to the oxygen-evolving complex of photosystem II identifies the solvent-exchangeable oxygen bridge (μ-oxo) of the manganese tetramer

PubMed Central

Pérez Navarro, Montserrat; Ames, William M.; Nilsson, Håkan; Lohmiller, Thomas; Pantazis, Dimitrios A.; Rapatskiy, Leonid; Nowaczyk, Marc M.; Neese, Frank; Boussac, Alain; Messinger, Johannes; Lubitz, Wolfgang; Cox, Nicholas

2013-01-01

The assignment of the two substrate water sites of the tetra-manganese penta-oxygen calcium (Mn4O5Ca) cluster of photosystem II is essential for the elucidation of the mechanism of biological O-O bond formation and the subsequent design of bio-inspired water-splitting catalysts. We recently demonstrated using pulsed EPR spectroscopy that one of the five oxygen bridges (μ-oxo) exchanges unusually rapidly with bulk water and is thus a likely candidate for one of the substrates. Ammonia, a water analog, was previously shown to bind to the Mn4O5Ca cluster, potentially displacing a water/substrate ligand [Britt RD, et al. (1989) J Am Chem Soc 111(10):3522–3532]. Here we show by a combination of EPR and time-resolved membrane inlet mass spectrometry that the binding of ammonia perturbs the exchangeable μ-oxo bridge without drastically altering the binding/exchange kinetics of the two substrates. In combination with broken-symmetry density functional theory, our results show that (i) the exchangable μ-oxo bridge is O5 {using the labeling of the current crystal structure [Umena Y, et al. (2011) Nature 473(7345):55–60]}; (ii) ammonia displaces a water ligand to the outer manganese (MnA4-W1); and (iii) as W1 is trans to O5, ammonia binding elongates the MnA4-O5 bond, leading to the perturbation of the μ-oxo bridge resonance and to a small change in the water exchange rates. These experimental results support O-O bond formation between O5 and possibly an oxyl radical as proposed by Siegbahn and exclude W1 as the second substrate water. PMID:24023065

Bioavailability of Cu, Zn and Mn from Mineral Chelates or Blends of Inorganic Salts in Growing Turkeys Fed with Supplemental Riboflavin and/or Pyridoxine.

PubMed

Salami, S A; Oluwatosin, O O; Oso, A O; Fafiolu, A O; Sogunle, O M; Jegede, A V; Bello, F A; Pirgozliev, V

2016-09-01

An 84-day feeding trial was conducted in growing turkeys to measure the bioavailability of Cu, Zn and Mn from a commercial mineral chelate and corresponding inorganic salts in composite feeds containing supplemental riboflavin (B2) and/or pyridoxine (B6). A total of 320, 28-day-old British United Turkeys (BUT) were assigned to eight dietary treatments in a 2 × 4 factorial arrangement comprising two trace mineral sources: chelated trace mineral blend (CTMB) and its corresponding inorganic trace minerals blend (ITMB) fed solely or with supplements of vitamin B2 (8 ppm) or B6 (7 ppm) or 8 ppm B2 + 7 ppm B6. Each treatment was replicated four times with 10 turkeys each. It was observed that turkeys fed with diets supplemented solely with ITMB elicited higher (P < 0.05) Zn excretion than their counterparts fed with diets containing ITMB with supplements of vitamins B2 and/or B6. Manganese retention was lower (P < 0.05) in turkeys fed with diets supplemented solely with ITMB than those fed with diets containing vitamins B2 and/or B6 additives. Combination of CTMB or ITMB with B6 improved (P < 0.05) the concentration of Mn in the liver and Cu in the bone. It was concluded that the minerals in CTMB were more available to the animals than ITMB. Furthermore, vitamins B2 and/or B6 supplementation improved the bioavailability of the inorganic Cu, Zn and Mn in growing turkeys and tended to reduce the concentration of these trace elements in birds' excreta.

Crossover from layering to island formation in Langmuir-Blodgett growth: Role of long-range intermolecular forces

NASA Astrophysics Data System (ADS)

Mukherjee, Smita; Datta, Alokmay

2011-04-01

Combined studies by atomic force microscopy, x-ray reflectivity, and Fourier transform infrared spectroscopy on transition-metal stearate (M-St, M = Mn, Co, Zn, and Cd) Langmuir-Blodgett films clearly indicate association of bidentate coordination of the metal-carboxylate head group to layer-by-layer growth as observed in MnSt and CoSt and partially in ZnSt. Crossover to islandlike growth, as observed in CdSt and ZnSt, is associated with the presence of unidentate coordination in the head group. Morphological evolutions as obtained from one, three, and nine monolayers (MLs) of M-St films are consistent with Frank van der Merwe, Stranski-Krastanov, and Volmer Weber growth modes for M=Mn/Co, Zn, and Cd, respectively, as previously assigned, and are found to vary with number (n) of metal atoms per head group, viz. n=1 (Mn/Co), n=0.75 (Zn), and n=0.5 (Cd). The parameter n is found to decide head-group coordination such that n=1.0 corresponds to bidentate and n=0.5 corresponds to unidentate coordination; the intermediate value in Zn corresponds to a mixture of both. The dependence of the growth mode on head-group structure is explained by the fact that in bidentate head groups, with the in-plane dipole moment being zero, intermolecular forces between adjacent molecules are absent and hence growth proceeds via layering. On the other hand, in unidentate head groups, the existence of a nonzero in-plane dipole moment results in the development of weak in-plane intermolecular forces between adjacent molecules causing in-plane clustering leading to islandlike growth.

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

Effect of Pre-strain and High Stresses on the Bainitic Transformation of Manganese-boron Steel 22MnB5

NASA Astrophysics Data System (ADS)

Said Schicchi, Diego; Hunkel, Martin

2018-03-01

During the last decade, the use of press-hardened components in the automotive industry has grown considerably. The so-called tailored tempering, also known as partial press hardening, employs locally heated tools seeking to obtain bainitic transformations. This leads to (seamless) zones within the formed parts with higher ductility. Due to the intrinsic nature of this process, phase transformations happen under the influence of high loads and in pre-deformed austenite. The austenite pre-strain state and applied stresses affect the kinetics of the bainitic transformation. Moreover, stresses have an additional relevant effect in this process, the so-called transformation plasticity. Linear transformation plasticity models have been successfully used to predict the behavior in the presence of low stresses. Nonetheless, because of the process's severe conditions, these tend to fail. A strong nonlinearity of the transformation plasticity strain is observed for applied stresses above the austenite yield strength. Using thermomechanical tests on sheet specimens of a manganese-boron steel (22MnB5), widely utilized in the industry, the effect on the bainitic transformation of various degrees of deformation in the range of 0 to 18 pct, applied stresses in the range of 0 to 250 MPa and the transformation plasticity effect are investigated in this work.

Stretchable, Weavable Coiled Carbon Nanotube/MnO2/Polymer Fiber Solid-State Supercapacitors

PubMed Central

Choi, Changsoon; Kim, Shi Hyeong; Sim, Hyeon Jun; Lee, Jae Ah; Choi, A Young; Kim, Youn Tae; Lepró, Xavier; Spinks, Geoffrey M.; Baughman, Ray H.; Kim, Seon Jeong

2015-01-01

Fiber and yarn supercapacitors that are elastomerically deformable without performance loss are sought for such applications as power sources for wearable electronics, micro-devices, and implantable medical devices. Previously reported yarn and fiber supercapacitors are expensive to fabricate, difficult to upscale, or non-stretchable, which limits possible use. The elastomeric electrodes of the present solid-state supercapacitors are made by using giant inserted twist to coil a nylon sewing thread that is helically wrapped with a carbon nanotube sheet, and then electrochemically depositing pseudocapacitive MnO2 nanofibers. These solid-state supercapacitors decrease capacitance by less than 15% when reversibly stretched by 150% in the fiber direction, and largely retain capacitance while being cyclically stretched during charge and discharge. The maximum linear and areal capacitances (based on active materials) and areal energy storage and power densities (based on overall supercapacitor dimensions) are high (5.4 mF/cm, 40.9 mF/cm2, 2.6 μWh/cm2 and 66.9 μW/cm2, respectively), despite the engineered superelasticity of the fiber supercapacitor. Retention of supercapacitor performance during large strain (50%) elastic deformation is demonstrated for supercapacitors incorporated into the wristband of a glove. PMID:25797351

Modulating the electronic and magnetic properties of bilayer borophene via transition metal atoms intercalation: from metal to half metal and semiconductor

NASA Astrophysics Data System (ADS)

Zhang, Xiuyun; Sun, Yi; Ma, Liang; Zhao, Xinli; Yao, Xiaojing

2018-07-01

Borophene, a two-dimensional monolayer made of boron atoms, has attracted wide attention due to its appealing properties. Great efforts have been devoted to fine tuning its electronic and magnetic properties for desired applications. Herein, we theoretically investigate the versatile electronic and magnetic properties of bilayer borophene (BLB) intercalated by 3d transition metal (TM) atoms, TM@BLBs (TM = Ti-Fe), using ab initio calculations. Four allotropes of AA-stacking (α 1-, β-, β 12- and χ 3-) BLBs with different intercalation concentrations of TM atoms are considered. Our results show that the TM atoms are strongly bonded to the borophene layers with fairly large binding energies, around 6.31 ∼ 15.44 eV per TM atom. The BLBs with Cr and Mn intercalation have robust ferromagnetism, while for the systems decorated with Fe atoms, fruitful magnetic properties, such as nonmagnetic, ferromagnetic or antiferromagnetic, are identified. In particular, the α 1- and β-BLBs intercalated by Mn or Fe atom can be transformed into a semiconductor, half metal or graphene-like semimetal. Moreover, some heavily doped TM@BLBs expose high Curie temperatures above room temperature. The attractive properties of TM@BLBs entail an efficient way to modulate the electronic and magnetic properties of borophene sheets for advanced applications.

Effect of Pre-strain and High Stresses on the Bainitic Transformation of Manganese-boron Steel 22MnB5

NASA Astrophysics Data System (ADS)

Said Schicchi, Diego; Hunkel, Martin

2018-06-01

During the last decade, the use of press-hardened components in the automotive industry has grown considerably. The so-called tailored tempering, also known as partial press hardening, employs locally heated tools seeking to obtain bainitic transformations. This leads to (seamless) zones within the formed parts with higher ductility. Due to the intrinsic nature of this process, phase transformations happen under the influence of high loads and in pre-deformed austenite. The austenite pre-strain state and applied stresses affect the kinetics of the bainitic transformation. Moreover, stresses have an additional relevant effect in this process, the so-called transformation plasticity. Linear transformation plasticity models have been successfully used to predict the behavior in the presence of low stresses. Nonetheless, because of the process's severe conditions, these tend to fail. A strong nonlinearity of the transformation plasticity strain is observed for applied stresses above the austenite yield strength. Using thermomechanical tests on sheet specimens of a manganese-boron steel (22MnB5), widely utilized in the industry, the effect on the bainitic transformation of various degrees of deformation in the range of 0 to 18 pct, applied stresses in the range of 0 to 250 MPa and the transformation plasticity effect are investigated in this work.

Finite Element Modeling and Analysis of Mars Entry Aeroshell Baseline Concept

NASA Technical Reports Server (NTRS)

Ahmed, Samee W.; Lane, Brittney M.

2017-01-01

The structure that is developed and analyzed in this project must be able to survive all the various load conditions that it will encounter along its course to Mars with the minimal amount of weight and material. At this stage, the goal is to study the capability of the structure using a finite element model (FEM). This FEM is created using a python script, and is numerically solved in Nastran. The purpose of the model is to achieve an optimization of mass given specific constraints on launch and entry. The generation and analysis of the baseline Rigid Mid-Range Lift to Drag Ratio Aeroshell model is a continuation and an improvement on previous work done for the FEM. The model is generated using Python programming with the axisymmetric placement of nodes for beam and shell elements. The shells are assigned a honeycomb sandwich material with an aluminum honeycomb core and composite face sheets, and the beams are assigned the same material as the shell face sheets. There are two load cases assigned to the model: Earth launch and Mars entry. The Earth launch case consists of pressure, gravity, and vibration loads, and the Mars entry case consists of just pressure and gravity loads. The Earth launch case was determined to be the driving case, though the analyses are performed for both cases to ensure the constraints are satisfied. The types of analysis performed with the model are design optimization, statics, buckling, normal modes, and frequency response, the last of which is only for the Earth launch load case. The final results indicated that all of the requirements are satisfied except the thermal limits, which could not yet be tested, and the normal modes for the Mars entry. However, the frequency limits during Mars entry are expected to be much higher than the lower frequency limits set for the analysis. In addition, there are still improvements that can be made in order to reduce the weight while still meeting all requirements.

Spectroscopic studies on the conformational transitions of a bovine growth hormone releasing factor analog

NASA Astrophysics Data System (ADS)

Sarver, Ronald W.; Friedman, Alan R.; Thamann, Thomas J.

1997-10-01

The secondary structure of the bovine growth hormone releasing factor analog, [Ile 2, Ser 8,28, Ala 15, Leu 27, Hse 30] bGRF(1-30)-NH-Ethyl, acetate salt (U-90699F) was studied in solution by Fourier transform infrared and Raman spectroscopies. Spectroscopic studies revealed that concentrated aqueous solutions of U-90699F (100 mg ml -1) undergo a secondary structure transition from disordered coil/α-helix to intermolecular β-sheet. Disordered coil and α-helical structure were grouped together in the infrared and Raman studies since the amide I vibrations are close in frequency and overlap in assignments was possible. Before the conformational transition, the facile exchange of the peptide's amide hydrogens for deuterium indicated that the majority of amide hydrogens were readily accessible to solvent. The kinetics of the conformational transition coincided with an increase in solution viscosity and turbidity. An initiation phase preceded the conformational transition during which only minor spectral changes were observed by infrared spectroscopy. The initiation phase and reaction kinetics were consistent with a highly cooperative nucleation ultimately leading to a network of intermolecular β-sheet structure and gel formation. Increased temperature accelerated the conformational transition. The conformational transition was thermally irreversible but the β-sheet structure of aggregated or gelled peptide could be disrupted by dilution and agitation.

Image Classification of Ribbed Smoked Sheet using Learning Vector Quantization

NASA Astrophysics Data System (ADS)

Rahmat, R. F.; Pulungan, A. F.; Faza, S.; Budiarto, R.

2017-01-01

Natural rubber is an important export commodity in Indonesia, which can be a major contributor to national economic development. One type of rubber used as rubber material exports is Ribbed Smoked Sheet (RSS). The quantity of RSS exports depends on the quality of RSS. RSS rubber quality has been assigned in SNI 06-001-1987 and the International Standards of Quality and Packing for Natural Rubber Grades (The Green Book). The determination of RSS quality is also known as the sorting process. In the rubber factones, the sorting process is still done manually by looking and detecting at the levels of air bubbles on the surface of the rubber sheet by naked eyes so that the result is subjective and not so good. Therefore, a method is required to classify RSS rubber automatically and precisely. We propose some image processing techniques for the pre-processing, zoning method for feature extraction and Learning Vector Quantization (LVQ) method for classifying RSS rubber into two grades, namely RSS1 and RSS3. We used 120 RSS images as training dataset and 60 RSS images as testing dataset. The result shows that our proposed method can give 89% of accuracy and the best perform epoch is in the fifteenth epoch.

Nanosecond laser photolysis studies of vitamin K 3 in aqueous solution

NASA Astrophysics Data System (ADS)

Chen, J. F.; Ge, X. W.; Chu, G. S.; Zhang, Z. C.; Zhang, M. W.; Yao, S. D.; Lin, N. Y.

1999-06-01

Vitamin K 3 in aqueous solution was investigated by 248 nm laser flash photolysis. Laser-induced transient species were characterized according to kinetic analysis and quenching experiments by Mn 2+ and O 2. In neutral solutions, the intermediates recorded were assigned to excited triplet states and dehydrogenated radicals of vitamin K 3. In comparison with the results of pulse radiolytical experiment, vitamin K 3 not only has strong electron affinity but could also could be photoionized by UV laser light. All this shows that vitamin K 3 acts as an effective electron carrier and electron transfer agent.

The effect of trace mineral fortification level and source on performance of dairy cattle.

PubMed

Nocek, J E; Socha, M T; Tomlinson, D J

2006-07-01

Five hundred seventy-three cows, balanced by parity and 305-d mature equivalent at dry off, were assigned to 1 of 4 treatments: 1) 75% complexed trace minerals (CTM; 75C): Zn, Mn, Cu, and Co supplied at 75% of NRC (2001) guidelines by Zn-, Mn-, and Cu-specific AA complexes, and cobalt glucoheptonate; 2) 100% inorganic (100I): Zn, Mn, Cu, and Co supplied at 100% of NRC (2001) requirements by sulfate sources; 3) 100% complexed (100C): Zn, Mn, Cu, and Co supplied at 100% of NRC (2001) requirements by CTM; and 4) complexed/ inorganic (C/I): Zn and Cu supplied at 100% of NRC (2001) requirements using a combination of CTM and sulfates and Co and Mn supplied with sources at 9.1 and 3.3 times NRC (2001) requirements using a combination of CTM and sulfates. All percentages of Zn, Cu, Mn, and Co relative to NRC (2001) reflect supplemental contributions and do not include basal diet contributions. Experimental periods were dry period 1, full lactation 1, dry period 2, and 200 d into the subsequent lactation. Reproductive, health, and production information was collected during both lactations. Claw evaluations were conducted at trial start, 150 d into lactation 1, at the end of lactation 1, and 150 d into lactation 2. During lactation 1, C/I cows produced more milk, fat-corrected milk, energy-corrected milk, and fat than 100I cows. During lactation 2, yields of milk, fat-corrected milk, energy-corrected milk, fat, and protein were higher for 100C and C/I cows than for 75C or 100I cows. Fat percentage was highest for 100C cows with no treatment effect on protein content. During lactations 1 and 2, C/I cows had fewer days to first estrus than cows receiving the other treatments. During lactation 2, C/ I cows had fewer services per conception and days open. There were no significant effects of treatment on health. White line separation incidence was lower for 100I cows than 75C cows, whereas heel erosion was higher for the 100I cows than for the C/I cows. Fortification of trace elements with inorganic and complexed sources at or above NRC requirements improved reproductive and productive performance. In addition, cows can be supplemented with CTM at 75% of NRC requirements with no reduction in performance compared with supplementing at 100% of NRC requirements using only sulfate sources of Zn, Mn, Cu, and Co.

Effects of hydroxy trace minerals on oxidative metabolism, cytological endometritis, and performance of transition dairy cows.

PubMed

Yasui, T; Ryan, C M; Gilbert, R O; Perryman, K R; Overton, T R

2014-01-01

Multiparous Holstein cows (n=60) were used to determine effects of supplementing hydroxy forms of Zn, Cu, and Mn compared with 2 other common supplementation strategies on oxidative metabolism, cytological endometritis, and performance of transition cows. After a 1-wk pretreatment period, cows were assigned randomly to 1 of 3 dietary treatments from 21 d before expected calving through 84 d postcalving. Dietary treatments administered by daily top-dressing included (1) inorganic sulfate forms of Zn, Cu, and Mn (ITM); (2) a blend (75:25) of sulfates and organic complexes of Zn, Cu, and Mn (ITM/OTM); and (3) hydroxy trace minerals (HTM) of Zn, Cu, and Mn. The resulting dietary concentrations of supplemental Zn, Cu, and Mn were similar among treatments and averaged 40, 10, and 27 mg/kg, respectively, before calving and 59, 15, and 40 mg/kg, respectively, after calving. Total concentrations of Zn, Cu, and Mn averaged 80, 16, and 62 mg/kg during the prepartum period and 102, 23, and 75 mg/kg, respectively, during the postpartum period. Overall, effects of treatment on milk yield and milk composition were not significant. Cows fed HTM during the prepartum period had higher body weight (BW) than those fed ITM during the prepartum period and had higher BW during the postpartum period than those fed the other treatments; however, BW change, body condition score, and body condition score change were not affected by treatment. Plasma total antioxidant capacity was lower in cows fed HTM than ITM but was not different from cows fed ITM/OTM. Cows fed HTM tended to have lower concentrations of plasma thiobarbituric acid reactive substances than those fed ITM during the whole study period, but plasma thiobarbituric acid reactive substances were not different between HTM and ITM/OTM. Plasma haptoglobin was lower in cows fed HTM than ITM/OTM at 1 wk postpartum. Endometrial cytology 7d postcalving and cytological endometritis as assessed on 1d between 40 and 60 d postcalving was not affected by treatment. In conclusion, supplementation with HTM sources of Zn, Cu, and Mn modulated plasma variables related to oxidative metabolism compared with supplementation with ITM; however, HTM and ITM/OTM resulted in similar responses. Furthermore, the source of trace minerals did not affect performance or uterine health in this experiment. Copyright © 2014 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Raman study of transition-metal oxides with perovskite-like structure

NASA Astrophysics Data System (ADS)

Kolev, Nikolay Iliev

Perovskite-like oxides exhibit a rich variety of properties of fundamental scientific interest and potential application value. The motivation for this work is to contribute to our knowledge of perovskite-like systems and strongly correlated systems in general. The polarized Raman spectra of single crystal and thin film CaCu3Ti4O12, single crystal and thin film CaRuO3, microcrystals of La0.5Ca 0.5MnO3, and ceramic and thin film CaMnO3 have been investigated. In close comparison to results from lattice dynamics calculations most of the Raman lines in the CaCu3Ti4O12, CaRuO3, La0.5Ca0.5MnO3 and CaMnO 3 spectra, have been assigned to definite phonon modes. The validity of the model for twin orientation in the Pnma structure for CaRuO3 and La0.5Ca0.5MnO3 is confirmed. The analysis of the CaMnO3 spectra contributed to the development of a model, based on four basic distortions of the (distorted) perovskite structure. The temperature behavior of the CaCu3Ti4O 12 spectra shows that there is no evidence for structural phase transition in the temperature range 20--600 K, so such a transition cannot be responsible for the sharp drop in the dielectric constant below 100 K. The Raman spectra indirectly support the mechanism of formation of barrier layer capacitances in CaCu3Ti4O12.The observation of additional Raman mode of nominal Ag symmetry is discussed in terms of coexistence of domains of different atomic arrangement, or alternatively of non-stoichiometry (Cu deficiency). In the case of the thin film, the tetragonal distortions could be responsible for the greater separation of the additional Ag line. No anomalies in the temperature behavior of the Raman lines of CaRuO3 is observed, which is an indirect evidence for its lack of long-range magnetic ordering at low temperatures (depending on whether this ordering would be observable by Raman spectroscopy through spin-phonon coupling). In La0.5Ca0.5MnO 3 the appearance of several Raman lines below TN is analyzed in terms of ordering and freezing of the Jahn-Teller distortions in a superstructure. Polarized Raman spectra confirmed their usefulness in studying thin films and their properties.

Two-dimensional sup 1 H NMR studies on HPr protein from Staphylococcus aureus: Complete sequential assignments and secondary structure

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

Kalbitzer, H.R.; Neidig, K.P.; Hengstenberg, W.

1991-11-19

Complete sequence-specific assignments of the {sup 1}H NMR spectrum of HPr protein from Staphylococcus aureus were obtained by two-dimensional NMR methods. Important secondary structure elements that can be derived from the observed nuclear Overhauser effects are a large antiparallel {beta}-pleated sheet consisting of four strands, A, B, C, D, a segment S{sub AB} consisting of an extended region around the active-center histidine (His-15) and an {alpha}-helix, a half-turn between strands B and C, a segment S{sub CD} which shows no typical secondary structure, and the {alpha}-helical, C-terminal segment S{sub term}. These general structural features are similar to those found earliermore » in HPr proteins from different microorganisms such as Escherichia coli, Bacillus subtilis, and Streptococcus faecalis.« less

Teaching Theory in Occupational Therapy Using a Cooperative Learning: A Mixed-Methods Study.

PubMed

Howe, Tsu-Hsin; Sheu, Ching-Fan; Hinojosa, Jim

2018-01-01

Cooperative learning provides an important vehicle for active learning, as knowledge is socially constructed through interaction with others. This study investigated the effect of cooperative learning on occupational therapy (OT) theory knowledge attainment in professional-level OT students in a classroom environment. Using a pre- and post-test group design, 24 first-year, entry-level OT students participated while taking a theory course in their second semester of the program. Cooperative learning methods were implemented via in-class group assignments. The students were asked to complete two questionnaires regarding their attitudes toward group environments and their perception toward group learning before and after the semester. MANCOVA was used to examine changes in attitudes and perceived learning among groups. Students' summary sheets for each in-class assignment and course evaluations were collected for content analysis. Results indicated significant changes in students' attitude toward working in small groups regardless of their prior group experience.

EnviroAtlas - Minneapolis/St. Paul, MN - Near Road Block Group Summary

EPA Pesticide Factsheets

This EnviroAtlas dataset addresses the tree buffer along heavily traveled roads. The roads are interstates, arterials, and collectors within the EnviroAtlas community boundary. In this community, forest is defined as Trees and Forest and Woody Wetlands. Sufficient tree bufferage is defined as 25% coverage within the circular moving window with a radius of 14.5m at any given point along the roadway. There are potential negative health affects for those living in a location without a sufficient tree buffer. Those populations are estimated here using dasymetric data calculated for the EnviroAtlas. There are potential negative health effects for those living in a location without a sufficient tree buffer. This dataset was produced by the US EPA to support research and online mapping activities related to EnviroAtlas. EnviroAtlas (https://www.epa.gov/enviroatlas) allows the user to interact with a web-based, easy-to-use, mapping application to view and analyze multiple ecosystem services for the contiguous United States. The dataset is available as downloadable data (https://edg.epa.gov/data/Public/ORD/EnviroAtlas) or as an EnviroAtlas map service. Additional descriptive information about each attribute in this dataset can be found in its associated EnviroAtlas Fact Sheet (https://www.epa.gov/enviroatlas/enviroatlas-fact-sheets).

The effect of Ginkgo biloba extract on genotoxic damage in patients with differentiated thyroid carcinoma receiving thyroid remnant ablation with iodine-131.

PubMed

Dardano, Angela; Ballardin, Michela; Caraccio, Nadia; Boni, Giuseppe; Traino, Claudio; Mariani, Giuliano; Ferdeghini, Marco; Barale, Roberto; Monzani, Fabio

2012-03-01

Radioiodine ((131)I) therapy is usually performed in patients with differentiated thyroid cancer (DTC). Although (131)I is generally considered safe, genotoxic damage has been demonstrated both in vivo and in vitro. The aim of the current study was to evaluate the effect of Ginkgo biloba extract (GBE) on the time-course of appearance, after (131)I therapy for DTC, of plasma factors with chromosome-damaging properties (so-called "clastogenic" factors [CFs]) and of micronuclei (MN) in lymphocytes. Twenty-three patients (median age 42 years, range 18-73) with DTC receiving (131)I activity (3.7 GBq) for thyroid remnant ablation were randomly assigned to receive GBE (120 mg/day for one month; n=10) or placebo (n=13) in a double-blind manner. Blood samples were taken at various intervals (from baseline to 90 days) after (131)I therapy. The frequency of MN in blood lymphocytes was determined, and CFs were assayed in plasma by a method that used MN increase in lymphocytes from an healthy donor as the endpoint of the assay. MN in blood lymphocytes increased significantly after (131)I treatment in the placebo group, peaking at the 7th day (p=0.002) and slowly declining thereafter. In contrast, in similarly treated patients who were also treated with GBE both before and after (131)I treatment, a significant increase of blood lymphocyte MN level was not observed. In addition, only the placebo group showed a significant, progressive increase in CFs activity. This peaked at the 14th day (p=0.003 vs. baseline) and was still noted for the last plasma sample. The differences in the change in lymphocyte MN and CFs activity between the placebo and GBE-treated groups were significant (p<0.01 and p<0.05, respectively). Thyroid function tests, including serum thyroglobulin (Tg) and anti-Tg antibody levels, were never significantly different. GBE may protect from possible oxidative and genotoxic damage associated with (131)I treatment in patients requiring (131)I therapy for thyroid cancer, without affecting the clinical outcome. Further studies with larger cohorts of patients are needed to confirm this report and verify the beneficial effect of GBE in patients requiring (131)I therapy, particularly for those in whom repeated treatments and high activities of (131)I are required.

An interferon inducing porcine reproductive and respiratory syndrome virus vaccine candidate elicits protection against challenge with the heterologous virulent type 2 strain VR-2385 in pigs.

PubMed

Fontanella, Eve; Ma, Zexu; Zhang, Yanjin; de Castro, Alessandra M M G; Shen, Huigang; Halbur, Patrick G; Opriessnig, Tanja

2017-01-03

Achieving consistent protection by vaccinating pigs against porcine reproductive and respiratory syndrome virus (PRRSV) remains difficult. Recently, an interferon-inducing PRRSV vaccine candidate strain A2MC2 was demonstrated to be attenuated and induced neutralizing antibodies. The objective of this study was to determine the efficacy of passage 90 of A2MC2 (A2P90) to protect pigs against challenge with moderately virulent PRRSV strain VR-2385 (92.3% nucleic acid identity with A2MC2) and highly virulent atypical PRRSV MN184 (84.5% nucleic acid identity with A2MC2). Forty 3-week old pigs were randomly assigned to five groups including a NEG-CONTROL group (non-vaccinated, non-challenged), VAC-VR2385 (vaccinated, challenged with strain VR-2385), VR2385 (challenged with strain VR-2385), VAC-MN184 (vaccinated, challenged with strain MN184) and a MN184 group (challenged with MN184 virus). Vaccination was done at 3weeks of age followed by challenge at 8weeks of age. No viremia was detectable in any of the vaccinated pigs; however, by the time of challenge, 15/16 vaccinated pigs had seroconverted based on ELISA and had neutralizing antibodies against a homologous strain with titers ranging from 8 to 128. Infection with VR-2385 resulted in mild-to-moderate clinical disease and lesions. For VR-2385 infected pigs, vaccination significantly lowered PRRSV viremia and nasal shedding by 9days post challenge (dpc), significantly reduced macroscopic lung lesions, and significantly increased the average daily weight gain compared to the non-vaccinated pigs. Infection with MN184 resulted in moderate-to-severe clinical disease and lesions regardless of vaccination status; however, vaccinated pigs had significantly less nasal shedding by dpc 5 compared to non-vaccinated pigs. Under the study conditions, the A2P90 vaccine strain was attenuated without detectable shedding, improved weight gain, and offered protection to the pigs challenged with VR-2385 by reduction of virus load and macroscopic lung lesions. Further work is needed to investigate different vaccination and challenge protocols, including routes, doses, timing and strains. Copyright © 2016 Elsevier Ltd. All rights reserved.

Selected DOE headquarters publications

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

None

1979-07-01

Selected DOE Headquarters Publications provides cumulative listings, from October 1, 1977 onward, of two groups of publications issued by headquarters organizations of the Department of Energy, and an index to their title keywords. The two groups consist of publications assigned a DOE/XXX-type report number code and headquarters contractor publications, prepared by contractors (and published by DOE) to describe research and development work they have performed for the Department. Publications such as pamphlets, fact sheets, bulletins, newsletters, and telephone directories, are omitted, as are publications issued under the DOE-tr, CONF, DOE/JPL, and DOE/NASA codes. (RWR)

Archive of post-Hurricane Charley coastal oblique aerial photographs collected during U.S. Geological Survey field activity 04CCH01 from Marco Island to Fort DeSoto, Florida, August 15, 2004

USGS Publications Warehouse

Subino, Janice A.; Morgan, Karen L.M.; Krohn, M. Dennis; Miller, Gregory K.; Dadisman, Shawn V.; Forde, Arnell S.

2012-01-01

To view the survey maps and navigation files, and for more information about these items, see the Navigation page. Figure 1 displays the acquisition geometry. The tables provide detailed information about the assigned location, name, data, and time the photograph was taken along with links to the photo and corresponding 5-min contact sheet. Refer to table 1 and table 2 for details of the northern and southern county photographs, respectively.

Matrix isolation infrared spectra, assignment and DFT investigation on reactions of iron and manganese monoxides with CH3Cl.

PubMed

Zhao, Yanying; Fan, Kexue; Huang, Yongfei; Zheng, Xuming

2013-12-01

The reactions of iron and manganese monoxide molecules (FeO, and MnO) with monochloromethane in solid argon have been studied by matrix isolation infrared spectroscopy and quantum chemistry calculations. When annealing, the reactions of FeO and MnO with CH3Cl first form the OM-(η(Cl)-CH3Cl) (MMn, Fe) complexes, which can isomerize to CH3MOCl (MMn, Fe) upon 300<λ<580 nm irradiation. The products were characterized by isotopic IR studies with CD3Cl and (13)CH3Cl and density functional calculations. Based on theoretical calculations, the OFe-(η(Cl)-CH3Cl) and OMn-(η(Cl)-CH3Cl) complexes have (5)A' and (6)A' ground state with Cs symmetry, respectively. The accurate CCSD(T) single point calculations illustrate the CH3MOCl isomerism are 13.8 and 3.1 kcal/mol lower in energy than the OM-(η(Cl)-CH3Cl) (MMn, Fe) complexes. Copyright © 2013 The Authors. Published by Elsevier B.V. All rights reserved.

Light-induced absorption and its relaxation under illumination of continuous wave ultraviolet light in Mn-doped near-stoichiometric LiNbO{sub 3}

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

Liu Youwen; Kitamura, Kenji; Takekawa, Shunji

2005-04-01

The steady-state light-induced absorption and the temporal relaxation behavior under illumination of cw ultraviolet light in Mn-doped near-stoichiometric LiNbO{sub 3} with different crystal compositions are investigated. The ultraviolet-light-induced absorption has been assigned to small polarons Nb{sub Li}{sup 4+} by measuring the absorption spectra at room temperature. The dependences of relaxation behaviors (time constant and stretching factor) of light-induced absorption on various illumination conditions (intensity, polarization) and temperature are presented, which are very different from those observed in Fe-doped LiNbO{sub 3} illuminated with highly intense light pulse, though the temporal relaxation follows the same stretched-exponential decay behavior in both cases. Themore » results are explained reasonably by using the model of distance-dependent electron transition probabilities between localized deep traps and small polarons without any additional assumptions, and discussed to tailor doped near-stoichiometric LiNbO{sub 3} crystals for two-color holographic recording with cw laser light.« less

Matrix isolation infrared spectroscopic studies and density functional theory calculations of the MNN, (MN)2 (M = Y and La), and Y3NN molecules.

PubMed

Teng, Yun-Lei; Xu, Qiang

2008-04-24

The reactions of yttrium and lanthanum with dinitrogen were reinvestigated. Laser-ablated yttrium and lanthanum atoms were co-deposited at 4 K with dinitrogen in excess argon, and the low-temperature reactions of Y and La with N2 in solid argon were studied using infrared spectroscopy. The reaction products YNN, (YN)2, LaNN, and (LaN)2 were formed in the present experiments and characterized on the basis of 14N/15N isotopic shifts, mixed isotope splitting patterns, stepwise annealing, change of reagent concentration and laser energy, and comparison with theoretical predictions. Some assignments were made based on a previous report. Density functional theory calculations were performed on these systems to identify possible reaction products. The agreement between experimental and calculated vibrational frequencies, relative absorption intensities, and isotopic shifts of the MNN and (MN)2 (M = Y and La) molecules supports the identification of these molecules from the matrix infrared spectra. Plausible reaction mechanisms were proposed for the formation of these molecules along with tentative identification of the Y3NN molecule.

X-band Electron Paramagnetic Resonance Investigation of Stable Organic Radicals Present under Cold Stratification in 'Fuji' Apple Seeds.

PubMed

Nakagawa, Kouichi; Matsumoto, Kazuhiro; Chaiserm, Nattakan; Priprem, Aroonsri

2017-01-01

We investigated stable organic radicals formed in response to cold stratification in 'Fuji' apple seeds using X-band (9 GHz) electron paramagnetic resonance (EPR) technique. This technique primarily detected two paramagnetic species in each seed. These two different radical species were assigned as a stable organic radical and Mn 2+ species based on the g values and hyperfine components. Signal from the stable radicals was noted at a g value of about 2.00 and was strong and relatively stable. Significant radical intensity changes were observed in apple seeds on refrigeration along with water supplementation. The strongest radical intensity and a very weak Mn 2+ signal were also observed for the seeds kept in moisture-containing sand in a refrigerator. Noninvasive EPR of the radicals present in each seed revealed that the stable radicals were located primarily in the seed coat. These results indicate that the significant radical intensity changes in apple seeds under refrigeration for at least 90 days followed by water supplementation for one week, can be related to cold stratification of the seeds.

Successive Phase Transitions and Magnetic Fluctuation in a Double-Perovskite NdBaMn2O6 Single Crystal

NASA Astrophysics Data System (ADS)

Yamada, S.; Sagayama, H.; Sugimoto, K.; Arima, T.

2018-03-01

We have succeeded in growing large high-quality single crystals of double-perovskite NdBaMn2O6 with c-axis aligned. Curie-Weiss paramagnetism and metallic conduction are observed above 290 K (TMI ). The magnetic susceptibility suddenly drops at TMI accompanied by a metal-insulator transition. Pervious studies using polycrystalline samples proposed that this material undergoes a ferromagnetic phase transition near 300K, and that the magnetic anomaly at TMI should be ascribed to layered antiferromagnetic phase transition. However, single-crystalline samples do not show any anomaly that indicates the ferromagnetic phase transition above TMI . We assign the onset of magnetic anisotropy at 235 K as antiferromagnetic transition temperature TN . Though the magnetization just above TMI shows the ferromagnetic-like magnetic-field dependence, the magnetization does not saturate under 70kOe at 300K. The magnetization behavior implies ferromagnetic fluctuation in the paramagnetic phase. The ferromagnetic fluctuation are also observed just below TMI . Because a metamagnetic transition is observed at a higher magnetic field, the ferromagnetic fluctuation competes with antiferromagnetic fluctuation in this temperature range.

Interaction studies of human prion protein (HuPrP109-111: methionine-lysine-histidine) tripeptide model with transition metal cations.

PubMed

Pitchumani Violet Mary, C; Shankar, R; Vijayakumar, S; Kolandaivel, P

2016-09-01

In the present study, the coordination bonds between the Methionine-Lysine-Histidine (Ac-MKH-NHMe) tripeptide model associated with the fifth metal binding site, which triggers the β-sheet formation of human prion protein and the divalent metal cations such as Mn(2+), Cu(2+) and Zn(2+) were studied using B3LYP and M052X levels of theory with LANL2DZ basis set. For each transition divalent metal cation, three different coordination modes (4N, 3NO, and 2NSO) were analyzed. The present result reveals that overall structural parameters of MKH model tripeptide are altered due to the interaction of divalent metal cations. Among these three coordination modes, the 4N-M(2)(+) and 4N2O-Mn(2+) complexes are found to have the larger interaction energy, MIA and deformation energies. The triply deprotonated coordination mode of the Ac-MKH-NHMe tripeptide transfers more amount of charge to the divalent metal cations than the dually and singly deprotonated complexes. Furthermore, the atoms in molecules (AIM) topological analysis confirm that, the interaction between the metal cations Mn(2+), Cu(2+) and Zn(2+) and Ac-MKH-NHMe tripeptide are electrostatic dominant and the coordination modes with triply deprotonation states possess larger electron density at their BCP corresponding to their coordination bonds. The electrostatic potential difference maps of the most stable 4N-M(2+) (M(2+)=Cu(2+) and Zn(2+)) and 4N2O-Mn(2+) reveals that, as the ionic radii of the metal ion increases, the delocalization charges localized on the metal cations are found to be decreased. The Infra-red stretching frequencies of NH, CH, and CH2 groups of each coordination complexes are observed with shift in their stretching frequencies. From these observations we conclude that, the transition divalent metal cations binding in 4N coordination mode will induce more conformational changes of the Prion protein. Copyright © 2016 Elsevier Inc. All rights reserved.

Role of upwelling hydrothermal fluids in the development of alteration patterns at fast spreading ridges: Evidence from the sheeted dike complex at Pito Deep

NASA Astrophysics Data System (ADS)

Heft, Kerri L.; Gillis, Kathryn M.; Pollock, Megan A.; Karson, Jeffery A.; Klein, Emily M.

2008-05-01

Alteration of sheeted dikes exposed along submarine escarpments at the Pito Deep Rift (NE edge of the Easter microplate) provides constraints on the crustal component of axial hydrothermal systems at fast spreading mid-ocean ridges. Samples from vertical transects through the upper crust constrain the temporal and spatial scales of hydrothermal fluid flow and fluid-rock reaction. The dikes are relatively fresh (average extent of alteration is 27%), with the extent of alteration ranging from 0 to >80%. Alteration is heterogeneous on scales of tens to hundreds of meters and displays few systematic spatial trends. Background alteration is amphibole-dominated, with chlorite-rich dikes sporadically distributed throughout the dike complex, indicating that peak temperatures ranged from <300°C to >450°C and did not vary systematically with depth. Dikes locally show substantial metal mobility, with Zn and Cu depletion and Mn enrichment. Amphibole and chlorite fill fractures throughout the dike complex, whereas quartz-filled fractures and faults are only locally present. Regional variability in alteration characteristics is found on a scale of <1-2 km, illustrating the diversity of fluid-rock interaction that can be expected in fast spreading crust. We propose that much of the alteration in sheeted dike complexes develops within broad, hot upwelling zones, as the inferred conditions of alteration cannot be achieved in downwelling zones, particularly in the shallow dikes. Migration of circulating cells along rides axes and local evolution of fluid compositions produce sections of the upper crust with a distinctive character of alteration, on a scale of <1-2 km and <5-20 ka.

Synthesis, structural elucidation, and biochemical analysis of immunoactive glucuronosyl diacylglycerides of mycobacteria and corynebacteria.

PubMed

Cao, Benjamin; Chen, Xingqiang; Yamaryo-Botte, Yoshiki; Richardson, Mark B; Martin, Kirstee L; Khairallah, George N; Rupasinghe, Thusita W T; O'Flaherty, Roisin M; O'Hair, Richard A J; Ralton, Julie E; Crellin, Paul K; Coppel, Ross L; McConville, Malcolm J; Williams, Spencer J

2013-03-15

Glucuronosyl diacylglycerides (GlcAGroAc2) are functionally important glycolipids and membrane anchors for cell wall lipoglycans in the Corynebacteria. Here we describe the complete synthesis of distinct acyl-isoforms of GlcAGroAc2 bearing both acylation patterns of (R)-tuberculostearic acid (C19:0) and palmitic acid (C16:0) and their mass spectral characterization. Collision-induced fragmentation mass spectrometry identified characteristic fragment ions that were used to develop "rules" allowing the assignment of the acylation pattern as C19:0 (sn-1), C16:0 (sn-2) in the natural product from Mycobacterium smegmatis, and the structural assignment of related C18:1 (sn-1), C16:0 (sn-2) GlcAGroAc2 glycolipids from M. smegmatis and Corynebacterium glutamicum. A synthetic hydrophobic octyl glucuronoside was used to characterize the GDP-mannose-dependent mannosyltransferase MgtA from C. glutamicum that extends GlcAGroAc2. This enzyme is an Mg(2+)/Mn(2+)-dependent metalloenzyme that undergoes dramatic activation upon reduction with dithiothreitol.

Spectroscopic and electrochemical characterization of some Schiff base metal complexes containing benzoin moiety

NASA Astrophysics Data System (ADS)

El-Shahawi, M. S.; Al-Jahdali, M. S.; Bashammakh, A. S.; Al-Sibaai, A. A.; Nassef, H. M.

2013-09-01

The ligation behavior of bis-benzoin ethylenediamine (B2ED) and benzoin thiosemicarbazone (BTS) Schiff bases towards Ru3+, Rh3+, Pd2+, Ni2+ and Cu2+ were determined. The bond length of M-N and spectrochemical parameters (10Dq, β, B and LFSE) of the complexes were evaluated. The redox characteristics of selected complexes were explored by cyclic voltammetry (CV) at Pt working electrode in non aqueous solvents. Au mesh (100 w/in.) optically transparent thin layer electrode (OTTLE) was also used for recording thin layer CV for selected Ru complex. Oxidation of some complexes occurs in a consecutive chemical reaction of an EC type mechanism. The characteristics of electron transfer process of the couples M2+/M3+ and M3+/M4+ (M = Ru3+, Rh3+) and the stability of the complexes towards oxidation and/or reduction were assigned. The nature of the electroactive species and reduction mechanism of selected electrode couples were assigned.

Accounting for Protein Subcellular Localization: A Compartmental Map of the Rat Liver Proteome*

PubMed Central

Jadot, Michel; Boonen, Marielle; Thirion, Jaqueline; Wang, Nan; Xing, Jinchuan; Zhao, Caifeng; Tannous, Abla; Qian, Meiqian; Zheng, Haiyan; Everett, John K.; Moore, Dirk F.; Sleat, David E.; Lobel, Peter

2017-01-01

Accurate knowledge of the intracellular location of proteins is important for numerous areas of biomedical research including assessing fidelity of putative protein-protein interactions, modeling cellular processes at a system-wide level and investigating metabolic and disease pathways. Many proteins have not been localized, or have been incompletely localized, partly because most studies do not account for entire subcellular distribution. Thus, proteins are frequently assigned to one organelle whereas a significant fraction may reside elsewhere. As a step toward a comprehensive cellular map, we used subcellular fractionation with classic balance sheet analysis and isobaric labeling/quantitative mass spectrometry to assign locations to >6000 rat liver proteins. We provide quantitative data and error estimates describing the distribution of each protein among the eight major cellular compartments: nucleus, mitochondria, lysosomes, peroxisomes, endoplasmic reticulum, Golgi, plasma membrane and cytosol. Accounting for total intracellular distribution improves quality of organelle assignments and assigns proteins with multiple locations. Protein assignments and supporting data are available online through the Prolocate website (http://prolocate.cabm.rutgers.edu). As an example of the utility of this data set, we have used organelle assignments to help analyze whole exome sequencing data from an infant dying at 6 months of age from a suspected neurodegenerative lysosomal storage disorder of unknown etiology. Sequencing data was prioritized using lists of lysosomal proteins comprising well-established residents of this organelle as well as novel candidates identified in this study. The latter included copper transporter 1, encoded by SLC31A1, which we localized to both the plasma membrane and lysosome. The patient harbors two predicted loss of function mutations in SLC31A1, suggesting that this may represent a heretofore undescribed recessive lysosomal storage disease gene. PMID:27923875

Accounting for Protein Subcellular Localization: A Compartmental Map of the Rat Liver Proteome.

PubMed

Jadot, Michel; Boonen, Marielle; Thirion, Jaqueline; Wang, Nan; Xing, Jinchuan; Zhao, Caifeng; Tannous, Abla; Qian, Meiqian; Zheng, Haiyan; Everett, John K; Moore, Dirk F; Sleat, David E; Lobel, Peter

2017-02-01

Accurate knowledge of the intracellular location of proteins is important for numerous areas of biomedical research including assessing fidelity of putative protein-protein interactions, modeling cellular processes at a system-wide level and investigating metabolic and disease pathways. Many proteins have not been localized, or have been incompletely localized, partly because most studies do not account for entire subcellular distribution. Thus, proteins are frequently assigned to one organelle whereas a significant fraction may reside elsewhere. As a step toward a comprehensive cellular map, we used subcellular fractionation with classic balance sheet analysis and isobaric labeling/quantitative mass spectrometry to assign locations to >6000 rat liver proteins. We provide quantitative data and error estimates describing the distribution of each protein among the eight major cellular compartments: nucleus, mitochondria, lysosomes, peroxisomes, endoplasmic reticulum, Golgi, plasma membrane and cytosol. Accounting for total intracellular distribution improves quality of organelle assignments and assigns proteins with multiple locations. Protein assignments and supporting data are available online through the Prolocate website (http://prolocate.cabm.rutgers.edu). As an example of the utility of this data set, we have used organelle assignments to help analyze whole exome sequencing data from an infant dying at 6 months of age from a suspected neurodegenerative lysosomal storage disorder of unknown etiology. Sequencing data was prioritized using lists of lysosomal proteins comprising well-established residents of this organelle as well as novel candidates identified in this study. The latter included copper transporter 1, encoded by SLC31A1, which we localized to both the plasma membrane and lysosome. The patient harbors two predicted loss of function mutations in SLC31A1, suggesting that this may represent a heretofore undescribed recessive lysosomal storage disease gene. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Visible light absorbance enhanced by nitrogen embedded in the surface layer of Mn-doped sodium niobate crystals, detected by ultra violet - visible spectroscopy, x-ray photoelectron spectroscopy, and electric conductivity tests

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

Molak, A., E-mail: andrzej.molak@us.edu.pl; Pilch, M.

2016-05-28

Sodium niobate crystals doped with manganese ions, Na(NbMn)O{sub 3}, were annealed in a nitrogen N{sub 2} flow at 600, 670, and 930 K. It was verified that simultaneous doping with Mn ions and annealing in nitrogen enhanced the photocatalytic features of sodium niobate. The transmission in the ultraviolet-visible range was measured at room temperature. The absorbance edge is in the range from 3.4 to 2.3 eV. The optical band gap E{sub gap} = 1.2–1.3 eV was evaluated using the Tauc relation. Crystals annealed at 670 K and 930 K exhibited an additional shift of the absorption edge of ∼20–40 nm toward longer wavelengths. The optical energy gap narrowedmore » as a result of the superimposed effect of Mn and N co-doping. The x-ray photoelectron spectroscopy test showed that N ions incorporated into the surface layer. The valence band consisted of O 2p states hybridized with Nb 4d, Mn 3d, and N 2s states. The disorder detected in the surroundings of Nb and O ions decreased due to annealing. The binding energy of oxygen ions situated within the surface layer was E{sub B} ≈ 531 eV. The other contributions were assigned to molecular contamination. The contribution centered at 535.5 eV vanished after annealing at 600 K and 670 K. The contribution centered at 534 eV vanished after annealing at 930 K. The N{sub 2} annealing partly removed carbonates from the surfaces of the samples. In the 480–950 K range, the electric conductivity activation energy, E{sub a} = 0.7–1.2 eV, was comparable with the optical E{sub gap}. The electric permittivity showed dispersion in the 0.1–800 kHz range that corresponds to the occurrence of defects.« less

"Vibrational spectroscopic analysis and molecular docking studies of (E)-4-methoxy-N‧-(4-methylbenzylidene) benzohydrazide by DFT"

NASA Astrophysics Data System (ADS)

Maheswari, R.; Manjula, J.

2016-07-01

(E)-4-methoxy-N‧-(4-methylbenzylidene)benzohydrazide (4MN'MBH) a novel, organic, hydrazone Schiff base compound was synthesized and its structure was characterized by Fourier Transform Infrared (4000-400 cm-1), Fourier Transform Raman (3500-50 cm-1), Ultraviolet-Visible (200-800 nm) and 1H and 13C NMR spectroscopic analysis. Optimized molecular structure, vibrational frequencies and corresponding vibrational assignments regarding 4MN'MBH has become screened tentatively as well as hypothetically utilizing Gaussian09Wprogram package. Potential energy distributions of the normal modes of vibrations connected with vibrations are generally accomplished by applying VEDA program. Natural Bonding Orbital (NBO) assessment was completed with a reason to clarify charge transfer or conjugative interaction, the intra-molecular-hybridization and delocalization of electron density within the molecule. Electronic transitions were studied employing UV-Visible spectrum and the observed values were compared with theoretical values. 1H and13C NMR spectral assessment had been made with choosing structure property relationship by chemical shifts along with magnetic shielding effects of title compound. The first order hyperpolarizability (β0) and related properties (β, α0 and Δα) of 4MN'MBH were calculated. The computed first order hyperpolarizability commensurate with the documented worth of very similar structure and could be an interesting thing for more experiments on non linear optics. Molecular docking study has been performed by in silico method to analysis their antituberculosis aspects against Enoyl acyl carrier protein reductase (Mycobacterium tuberculosis InhA) protein.

Identification of Biomarkers for Footpad Dermatitis Development and Wound Healing

PubMed Central

Chen, Juxing; Tellez, Guillermo; Escobar, Jeffery

2016-01-01

Footpad dermatitis (FPD) is a type of skin inflammation that causes necrotic lesions on the plantar surface of the footpads in commercial poultry, with significant animal welfare, and economic implications. To identify biomarkers for FPD development and wound healing, a battery cage trial was conducted in which a paper sheet was put on the bottom of cages to hold feces to induce FPD of broilers. Day-of-hatch Ross 308 male broiler chicks were fed a corn–soybean meal diet and assigned to 3 treatments with 8 cages per treatment and 11 birds per cage. Cages without paper sheets were used as a negative control (NEG). Cages with paper sheets during the entire growth period (d 0–30) were used as a positive control (POS) to continually induce FPD. Cages with paper sheets during d 0–13 and without paper sheets during d 14–30 were used to examine the dynamic of FPD development and lesion wound healing (LWH). Footpad lesions were scored to grade (G) 1–5 with no lesion in G1 and most severe lesion in G5. Covering with paper sheets in POS and LWH induced 99% incidence of G3 footpads on d 13. Removing paper sheets from LWH healed footpad lesions by d 30. One representative bird, with lesions most close to pen average lesion score, was chosen to collect footpad skin samples for biomarker analysis. Total collagen protein and mRNA levels of tenascin X (TNX), type I α1 collagen (COL1A1), type III α1 collagen (COL3A1), tissue inhibitor of metalloproteinase 3 (TIMP3), and integrin α1 (ITGA1) mRNA levels were decreased (P < 0.05), while mRNA levels of tenascin C (TNC), tumor necrosis factor (TNF) α, Toll-like receptor (TLR) 4 and vascular endothelial growth factor (VEGF), IL-1β, and the ratio of MMP2 to all TIMP were increased (P < 0.03) in G3 footpads in POS and LWH compared to G1 footpads in NEG on d 14. These parameters continued to worsen with development of more severe lesions in POS. After paper sheets were removed (i.e., LWH), levels of these parameters gradually or rapidly returned to levels measured in NEG. Regression analysis indicated significant quadratic changes of these parameters to footpad lesion scores. In summary, these biomarkers were interrelated with dynamic changes of footpad lesion scores, suggesting they may be used as potential biomarkers for footpad lesion development and wound healing process. PMID:26973819

NMR resonance assignments of a hypoallergenic isoform of the major birch pollen allergen Bet v 1.

PubMed

Ahammer, Linda; Grutsch, Sarina; Wallner, Michael; Ferreira, Fatima; Tollinger, Martin

2017-10-01

In Northern America and Europe a great number of people are suffering from birch pollen allergy and pollen related food allergies. The trigger for these immunological reactions is the 17.5 kDa major birch pollen allergen Bet v 1, which belongs to the family of PR-10 (pathogenesis-related) proteins. In nature, Bet v 1 occurs as a mixture of various isoforms that possess different immunological properties despite their high sequence identities. Bet v 1.0102 (Bet v 1d), which is investigated here, is a hypoallergenic isoform of Bet v 1 and a potential candidate for allergen-specific immunotherapy. We assigned the backbone and side chain 1 H, 13 C and 15 N resonances of this protein and predicted its secondary structure. The NMR-chemical shift data indicate that Bet v 1.0102 is composed of three α-helices and a seven stranded β-sheet, in agreement with the known structure of the hyperallergenic isoform Bet v 1.0101 (Bet v 1a). Our resonance assignments create the foundation for detailed characterization of the dynamic properties of Bet v 1 isoforms by NMR relaxation measurements.

Solution 1H NMR determination of secondary structure for the three-iron form of ferredoxin from the hyperthermophilic archaeon Pyrococcus furiosus.

PubMed

Teng, Q; Zhou, Z H; Smith, E T; Busse, S C; Howard, J B; Adams, M W; La Mar, G N

1994-05-24

Two-dimensional 1H NMR data have been used to make sequence-specific assignments and define the secondary structure of the three-iron form of the oxidized ferredoxin, Fd, from the hyperthermophilic archaeon Pyrococcus furiosus, Pf. Signals for at least some protons were located for 65 of the 66 amino acids in the sequence, in spite of the paramagnetic (S = 1/2) ground state, but not all could be assigned. Unassigned and missing signals could be qualitatively correlated with the expected proximity of the protons to the paramagnetic cluster. The secondary structure was deduced from qualitative analysis of the 2D nuclear Overhauser effect, which identified two antiparallel beta-sheets, one triple-stranded including Ala1-Ser5, Val39-Glu41, and Thr62-Ala66, and one double-stranded consisting of Glu26-Asn28 and Lys32-Glu34, as well as an alpha-helix involving Glu43-Glu54. Three tight type I turns are located at residues Asp7-Thr10, Pro22-Phe25, and Asp29-Gly31. Comparison with the crystal structure of Desulfovibrio gigas, Dg, Fd (Kissinger et al., 1991) reveals a very similar folding topology, although several secondary structural elements are extended in Pf relative to Dg Fd. Thus the beta-sheet involving the two termini is expanded to include the two terminal residues and incorporates a third strand from the internal loop that is lengthened by several insertions in Pf relative to Dg Fd. The double-stranded beta-sheet in the interior of Pf Fd is lengthened slightly due to a much tighter type I turn between the two strands. The helix near the C-terminus is three residues longer in Pf than in Dg Fd, as well as being shifted toward the N-terminus. The disulfide link between the two nonligating Cys residues (Cys21 and Cys48) is conserved in Pf Fd, but the link near the C-terminus is in the middle of the long alpha-helix in Pf Fd, instead of at the N-terminus of the helix as in Dg Fd. The extensions of the beta-sheets and alpha-helix increase the number of main-chain hydrogen bonds in Pf Fd by approximately 8 relative to those in Dg Fd and likely contribute to its remarkable thermostability (it is unaffected by anaerobic incubation at 95 degrees C for 24 h).(ABSTRACT TRUNCATED AT 400 WORDS)

Production and characterization of thermoplastic cassava starch, functionalized poly(lactic acid), and their reactive compatibilized blends

NASA Astrophysics Data System (ADS)

Detyothin, Sukeewan

Cassava starch was blended with glycerol using a co-rotating twin-screw extruder (TSE). Thermoplastic cassava starch (TPCS) at a ratio of 70/30 by weight of cassava/glycerol was selected and further blended with other polymers. TPCS sheets made from compression molding had low tensile strength (0.45 +/- 0.05 MPa) and Young's modulus (1.24 +/- 0.58 MPa), but moderate elongation at break (83.0 +/- 0.18.6%), medium level of oxygen permeability, and high water vapor permeability with a very high rate of water absorption. TPCS was blended with poly(lactic acid) (PLA) at various ratios by using a TSE. The blend resins exhibited good properties such as increased thermal stability (Tmax) and crystallinity of PLA, and improved water sensitivity and processability of TPCS. PLA and TPCS exhibited a high interfacial tension between the two phases of 7.9 mJ·m -2, indicating the formation of an incompatible, immiscible blend. SEM micrographs showed a non-homogeneous distribution of TPCS droplets in the PLA continuous phase. TEM micrographs of the blend films made by cast-film extrusion showed coalescence of the TPCS droplets in the PLA continuous phase of the blend, indicating that the compatibility between the polymer pair needs to be improved. A response surface methodology (RSM) design was used to analyze the effects of maleic anhydride (MA) and 2,5-bis(tert-butylperoxy)-2,5-dimethylhexane (Luperox or L101) contents, and TSE screw speed on the degree of grafted MA and number average molecular weight (Mn) of functionalized PLA (PLA-g-MA), a reactive compatibilizer. PLA-g- MA made by reactive extrusion had an array of colors depending on the content of L101 and MA used. New FTIR peaks suggested that MA was grafted onto the PLA backbone and oligomeric MA may occur. Increasing L101 increased the degree of grafting and decreased Mn, but the Mn of the PLA-g-MA's produced with a high amount of L101 was stable during storage. MA exhibited an optimum concentration for maximizing the degree of grafted MA, and increasing MA content retarded the reduction of Mn during processing. However, the Mn of PLA-g-MA during storage decreased more rapidly with a high content of MA. TSE screw speed had an impact on the Mn with the maximum value predicted at 20 rpm. PLA-g-MA compounds differing in Mn and/or grafted MA content were used as reactive polymers with TPCS (to produce binary blends) and as reactive compatibilizers (to produce ternary blends of PLA/TPCS/PLA-g-MA) with TPCS content of 30 wt% using a TSE. As a result of maleation, PLA-g-MA had a higher grafted MA content with a lower Mn, and higher PI. The interaction of anhydride groups from PLA-g-MA and hydroxyl groups from TPCS was found by FTIR. The reactive binary blends exhibited a change in thermal stability, decrease of Tcc, the presence of double melting peaks, and an increase of the Tgs of glycerol and starch. The higher the grafted MA content and/or the higher Mn of the PLA- g-MA used, the better were the distribution and smaller the TPCS domains obtained in the blends. The highest elongation at break was achieved when 30 wt% TPCS was blended with 70 wt% of PLA having 0.1 wt% of grafted MA and Mn of PLA-g-MA with a 45 kDa. Finally, the optimum PLA-g-MA was determined by using the results from PLA-g-MA RSM design and the reactive blending.

Sequential /sup 1/H NMR assignments and secondary structure of hen egg white lysozyme in solution

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

Redfield, C.; Dobson, C.M.

Assignments of /sup 1/H NMR resonances of 121 of the 129 residues of hen egg white lysozyme have been obtained by sequence-specific methods. Spin systems were identified with phase-sensitive two-dimensional (2-D) correlated spectroscopy and single and double relayed coherence transfer spectroscopy. For key types of amino acid residues, particularly alanine, threonine, valine, and glycine, complete spin systems were identified. For other residues a less complete definition of the spin system was found to be adequate for the purpose of sequential assignment. Sequence-specific assignments were achieved by phase-sensitive 2-D nuclear Overhauser enhancement spectroscopy (NOESY). Exploitation of the wide range of hydrogenmore » exchange rates found in lysozyme was a useful approach to overcoming the problem of spectral overlap. The sequential assignment was built up from 21 peptide segments ranging in length from 2 to 13 residues. The NOESY spectra were also used to provide information about the secondary structure of the protein in solution. Three helical regions and two regions of ..beta..-sheet were identified from the NOESY data; these regions are identical with those found in the X-ray structure of hen lysozyme. Slowly exchanging amides are generally correlated with hydrogen bonding identified in the X-ray structure; a number of exceptions to this general trend were, however, found. The results presented in this paper indicate that highly detailed information can be obtained from 2-D NMR spectra of a protein that is significantly larger than those studies previously.« less

The GLAS Standard Data Products Specification-Level 1, Version 9

NASA Technical Reports Server (NTRS)

Lee, Jeffrey E.

2013-01-01

The Geoscience Laser Altimeter System (GLAS) is the primary instrument for the ICESat (Ice, Cloud and Land Elevation Satellite) laser altimetry mission. ICESat was the benchmark Earth Observing System (EOS) mission for measuring ice sheet mass balance, cloud and aerosol heights, as well as land topography and vegetation characteristics. From 2003 to 2009, the ICESat mission provided multi-year elevation data needed to determine ice sheet mass balance as well as cloud property information, especially for stratospheric clouds common over polar areas. It also provided topography and vegetation data around the globe, in addition to the polar-specific coverage over the Greenland and Antarctic ice sheets.This document defines the Level-1 GLAS standard data products. This document addresses the data flow, interfaces, record and data formats associated with the GLAS Level 1 standard data products. GLAS Level 1 standard data products are composed of Level 1A and Level 1B data products. The term standard data products refers to those EOS instrument data that are routinely generated for public distribution. The National Snow and Ice Data Center (NSDIC) distribute these products. Each data product has a unique Product Identification code assigned by the Senior Project Scientist. GLAS Level 1A and Level 1B Data Products are composed from those Level 0 data that have been reformatted or transformed to corrected and calibrated data in physical units at the full instrument rate and resolution.

Protein structure and the sequential structure of mRNA: alpha-helix and beta-sheet signals at the nucleotide level.

PubMed

Brunak, S; Engelbrecht, J

1996-06-01

A direct comparison of experimentally determined protein structures and their corresponding protein coding mRNA sequences has been performed. We examine whether real world data support the hypothesis that clusters of rare codons correlate with the location of structural units in the resulting protein. The degeneracy of the genetic code allows for a biased selection of codons which may control the translational rate of the ribosome, and may thus in vivo have a catalyzing effect on the folding of the polypeptide chain. A complete search for GenBank nucleotide sequences coding for structural entries in the Brookhaven Protein Data Bank produced 719 protein chains with matching mRNA sequence, amino acid sequence, and secondary structure assignment. By neural network analysis, we found strong signals in mRNA sequence regions surrounding helices and sheets. These signals do not originate from the clustering of rare codons, but from the similarity of codons coding for very abundant amino acid residues at the N- and C-termini of helices and sheets. No correlation between the positioning of rare codons and the location of structural units was found. The mRNA signals were also compared with conserved nucleotide features of 16S-like ribosomal RNA sequences and related to mechanisms for maintaining the correct reading frame by the ribosome.

Time-Resolved Structural Analysis of Cation Exchange Reactions in Birnessite Using Synchrotron XRD

NASA Astrophysics Data System (ADS)

Lopano, C. L.; Heaney, P. J.; Post, J. E.; Hanson, J. C.; Lee, Y.; Komarneni, S.

2002-12-01

Birnessite ((Na,Ca,Mn2+) Mn7O142.8H2O) is a layered Mn-oxide with a 7.2Å spacing between the Mn octahedral sheets. Since birnessite is an abundant phase in soils, desert varnishes, and ocean nodules, it plays a significant role in soil and groundwater chemistry. Experiments by Golden et al. (1986,1987) have demonstrated that Na-buserite (hydrated birnessite) readily exchanges Na+ for a variety of other cations, including K+, Mg2+, Ca2+, Ba2+, Ni2+, and Sr2+. In light of its high cation exchange capacity, birnessite is industrially important for ion and molecular sieves and cathodic materials. In addition, birnessite serves as a precursor in the synthesis of todorokite, which has a 3x3 tunnel structure and is used as an octahedral sieve. We monitored cation-exchange reactions in birnessite by time-resolved X-ray powder diffraction with a simple flow-through cell at the National Synchrotron Light Source. The flow-through cell was developed by Lee and Parise at SUNY-Stony Brook, and this work represents its first application to Mn oxides. A series of synthetic Na-birnessite samples were saturated with chloride solutions containing dissolved K+, Mg2+, and Ba2+, ranging from 0.1M to 0.001M. Powder X-ray diffraction patterns were collected every ~ 3 minutes. The synchrotron experiments revealed that complete cation exchange occurs within three hours, and significant modifications of the arrangements of interlayer cations and water molecules accompany the exchange. Specifically, the replacement of Na by Mg resulted in the continuous growth of a discrete buserite-like phase with a 10Å layer spacing, while replacement of Na by K and Ba retained the 7Å spacing. K replacement of Na resulted in gradually decreasing peak intensity and peak merging. The Ba exchange yielded an abrupt decrease in diffraction intensities followed by a more gradual lattice change over the last 2 hours. Rietveld analysis led to the first determination of the structure of Ba-birnessite in space group C-1. With a final chi-squared parameter of 1.540, the refined lattice parameters were a = 5.178(2)Å, b = 2.850(3)Å, c = 7.320(5)Å, α = 89.512(1)°, β = 102.989(6)°, and γ = 89.893(6)°. However, the lattice parameters of the fully exchanged Ba-birnessite indicate that Ba substitution causes the unit cell to be more monoclinic.

Modulating the electronic and magnetic properties of bilayer borophene via transition metal atoms intercalation: from metal to half metal and semiconductor.

PubMed

Zhang, Xiuyun; Sun, Yi; Ma, Liang; Zhao, Xinli; Yao, Xiaojing

2018-07-27

Borophene, a two-dimensional monolayer made of boron atoms, has attracted wide attention due to its appealing properties. Great efforts have been devoted to fine tuning its electronic and magnetic properties for desired applications. Herein, we theoretically investigate the versatile electronic and magnetic properties of bilayer borophene (BLB) intercalated by 3d transition metal (TM) atoms, TM@BLBs (TM = Ti-Fe), using ab initio calculations. Four allotropes of AA-stacking (α 1 -, β-, β 12 - and χ 3 -) BLBs with different intercalation concentrations of TM atoms are considered. Our results show that the TM atoms are strongly bonded to the borophene layers with fairly large binding energies, around 6.31 ∼ 15.44 eV per TM atom. The BLBs with Cr and Mn intercalation have robust ferromagnetism, while for the systems decorated with Fe atoms, fruitful magnetic properties, such as nonmagnetic, ferromagnetic or antiferromagnetic, are identified. In particular, the α 1 - and β-BLBs intercalated by Mn or Fe atom can be transformed into a semiconductor, half metal or graphene-like semimetal. Moreover, some heavily doped TM@BLBs expose high Curie temperatures above room temperature. The attractive properties of TM@BLBs entail an efficient way to modulate the electronic and magnetic properties of borophene sheets for advanced applications.

Nuclear Data Sheets for A=62

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

Nichols A. L.; Tuli J.; Nichols,A.L.

Experimental nuclear spectroscopic data for known nuclides of mass number 62 (Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge) have been evaluated and presented together with adopted properties of levels and {gamma} rays. New high-spin data are available for {sup 62}Ga, and {sup 62}Zn. Results of in-beam {gamma}-ray studies for {sup 62}Cu producing high-spin states are in conflict in terms of gamma-ray placements and branching ratios. In the opinion of the evaluators, a detailed study of high-spin structures in {sup 62}Cu is needed to obtain a consistent and confident level scheme. Precise studies of superallowed {beta} decaymore » of {sup 62}Ga to {sup 62}Zn by several groups have extended the decay scheme. No significant new data, since the 2000 NDS for A = 62 (2000Hu18), have been reported for {sup 62}Co, {sup 62}Ni and {sup 62}Cu. No data are yet available for excited states in {sup 62}Ti and {sup 62}V, and those for {sup 62}Cr and {sup 62}Ge are scarce. The level lifetime data are available in very few cases. The radioactive decay schemes of {sup 62}Ti and {sup 62}Ge are unknown, and those for {sup 62}V, {sup 62}Cr and 92-ms {sup 62}Mn are scantily known. The data presented here supersede those in the earlier NDS publications.« less

Interaction of milk whey protein with common phenolic acids

NASA Astrophysics Data System (ADS)

Zhang, Hao; Yu, Dandan; Sun, Jing; Guo, Huiyuan; Ding, Qingbo; Liu, Ruihai; Ren, Fazheng

2014-01-01

Phenolics-rich foods such as fruit juices and coffee are often consumed with milk. In this study, the interactions of α-lactalbumin and β-lactoglobulin with the phenolic acids (chlorogenic acid, caffeic acid, ferulic acid, and coumalic acid) were examined. Fluorescence, CD, and FTIR spectroscopies were used to analyze the binding modes, binding constants, and the effects of complexation on the conformation of whey protein. The results showed that binding constants of each whey protein-phenolic acid interaction ranged from 4 × 105 to 7 × 106 M-n and the number of binding sites n ranged from 1.28 ± 0.13 to 1.54 ± 0.34. Because of these interactions, the conformation of whey protein was altered, with a significant reduction in the amount of α-helix and an increase in the amounts of β-sheet and turn structures.

Manganese oxides-based composite electrodes for supercapacitors

NASA Astrophysics Data System (ADS)

Su, Dongyun; Ma, Jun; Huang, Mingyu; Liu, Feng; Chen, Taizhou; Liu, Chao; Ni, Hongjun

2017-06-01

In recent, nanostructured transition metal oxides as a new class of energy storage materials have widely attracted attention due to its excellent electrochemical performance for supercapacitors. The MnO2 based transition metal oxides and their composite electrode materials were focused in the review for supercapacitor applications. The researches on different nanostructures of manganese oxides such as Nano rods, Nano sheets, nanowires, nanotubes and so on have been discovered in recent years, together with brief explanations of their properties. Research on enhancing materials’ properties by designing combination of different materials on the micron or Nano scale is too limited, and therefore we discuss the effects of different components’ sizes and their synergy on the performance. Moreover, the low-cost and large-scale fabrication of flexible supercapacitors with high performance (high energy density and cycle stability) have been pointed out and studied.

A Self-Healing Aqueous Lithium-Ion Battery.

PubMed

Zhao, Yang; Zhang, Ye; Sun, Hao; Dong, Xiaoli; Cao, Jingyu; Wang, Lie; Xu, Yifan; Ren, Jing; Hwang, Yunil; Son, In Hyuk; Huang, Xianliang; Wang, Yonggang; Peng, Huisheng

2016-11-07

Flexible lithium-ion batteries are critical for the next-generation electronics. However, during the practical application, they may break under deformations such as twisting and cutting, causing their failure to work or even serious safety problems. A new family of all-solid-state and flexible aqueous lithium ion batteries that can self-heal after breaking has been created by designing aligned carbon nanotube sheets loaded with LiMn 2 O 4 and LiTi 2 (PO 4 ) 3 nanoparticles on a self-healing polymer substrate as electrodes, and a new kind of lithium sulfate/sodium carboxymethylcellulose serves as both gel electrolyte and separator. The specific capacity, rate capability, and cycling performance can be well maintained after repeated cutting and self-healing. These self-healing batteries are demonstrated to be promising for wearable devices. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Characterizing the Secondary Protein Structure of Black Widow Dragline Silk Using Solid-State NMR & X-ray Diffraction

PubMed Central

Jenkins, Janelle E.; Sampath, Sujatha; Butler, Emily; Kim, Jihyun; Henning, Robert W.; Holland, Gregory P.; Yarger, Jeffery L.

2013-01-01

This study provides a detailed secondary structural characterization of major ampullate dragline silk from Latrodectus hesperus (black widow) spiders. X-ray diffraction results show that the structure of black widow major ampullate silk fibers is comprised of stacked β-sheet nanocrystallites oriented parallel to the fiber axis and an amorphous region with oriented (anisotropic) and isotropic components. The combination of two-dimensional (2D) 13C-13C through-space and through-bond solid-state NMR experiments provide chemical shifts that are used to determine detailed information about amino acid motif secondary structure in black widow spider dragline silk. Individual amino acids are incorporated into different repetitive motifs that make up the majority of this protein-based biopolymer. From the solid-state NMR measurements, we assign distinct secondary conformations to each repetitive amino acid motif and hence to the amino acids that make up the motifs. Specifically, alanine is incorporated in β-sheet (poly(Alan) and poly(Gly-Ala)), 31-helix (poly(Gly-Gly-Xaa), and α-helix (poly(Gln-Gln-Ala-Tyr)) components. Glycine is determined to be in β-sheet (poly(Gly-Ala)) and 31-helical (poly(Gly-Gly-Xaa)) regions, while serine is present in β-sheet (poly(Gly-Ala-Ser)), 31-helix (poly(Gly-Gly-Ser)), and β-turn (poly(Gly-Pro-Ser)) structures. These various motif-specific secondary structural elements are quantitatively correlated to the primary amino acid sequence of major ampullate spidroin 1 and 2 (MaSp1 and MaSp2) and are shown to form a self-consistent model for black widow dragline silk. PMID:24024617

Theoretical reflections on the structural polymorphism of the oxygen-evolving complex in the S2 state and the correlations to substrate water exchange and water oxidation mechanism in photosynthesis.

PubMed

Guo, Yu; Li, Hui; He, Lan-Lan; Zhao, Dong-Xia; Gong, Li-Dong; Yang, Zhong-Zhi

2017-10-01

The structural polymorphism of the oxygen-evolving complex is of great significance to photosynthetic water oxidation. Employing density functional theory calculations, we have made further advisement on the interconversion mechanism of O5 transfer in the S 2 state, mainly focusing on the potentiality of multi-state reactivity and spin transitions. Then, O5 protonation is proven impossible in S 2 for irreversibility of the interconversion, which serves as an auxiliary judgment for the protonation state of O5 in S 1 . Besides, the structural polymorphism could also be archived by alternative mechanisms involving Mn3 ligand exchange, one of which with Mn3(III) makes sense to substrate water exchange in S 2 , although being irresponsible for the derivations of the observed EPR signals. During the water exchange, high-spin states would prevail to facilitate electron transfer between the ferromagnetically coupled Mn centers. In addition, water exchange in S 1 could account for the closed-cubane structure as the initial form entering S 2 at cryogenic temperatures. With regard to water oxidation, the structural flexibility and variability in both S 2 and S 3 guarantee smooth W2-O5 coupling in S 4 , according to the substrate assignments from water exchange kinetics. Within this theoretical framework, the new XFEL findings on S 1 -S 3 can be readily rationalized. Finally, an alternative mechanistic scenario for OO bond formation with ·OH radical near O4 is presented, followed by water binding to the pivot Mn4(III) from O4 side during S 4 -S 0 . This may diversify the substrate sources combined with the Ca channel in water delivery for the forthcoming S-cycle. Copyright © 2017. Published by Elsevier B.V.

[Giving up the tobacco habit through the application of the Smoker's Aid Program in the Chantrea Health Centre].

PubMed

Nuin, M A; Fuertes, C; Ancizu, P; Espelosín, G; Royo, C; Sarasa, I

1997-01-01

This is a prospective descriptive study of intervention without aleatory assignation, carried out in the Chantrea Health Centre. Its aim is to determine the characteristics of the smokers who are taking part in two interventions by the Smokers' Aid Program (Programa de Ayuda al Fumador-PAF), and to evaluate the factors that influence the latter's success. The characteristics of 100 smokers were analyzed. They were offered one of the two PAF interventions: Minimal Intervention 1 (MN1): they are given a support brochure in the first consultations, contacted by telephone after one month and called to consultation after 6 months to measure CO. Minimal Intervention 2 (MN2): the smoker makes 5 consultations of support in giving up smoking (+ or - nicotine patches) with the doctor, nurse or social worker indiscriminately. The factors that were influential in abandoning the habit with 65 subjects were evaluated. 60% of the subjects were male with an average age of 41 (DE 29). 29% showed a pathology related to tobacco, with no relation found between this and the success of the interventions. Those who chose MN2 (38%) had started tobacco consumption at an earlier age and were more dependent on nicotine. Of the 65 smokers who completed the program, 37% continued not to smoke after 6 months. Those who managed to give up smoking were of a greater average age, had spent more years smoking and belonged above all to the MN1 intervention. Notable successes are achieved if the actions are carried out by the First Aid Team. We find no significant differences between the characteristics of those who give up smoking and those who do not. Not even a serious pathology, related to tobacco, is predictive of success. The smoker's dependence on nicotine must be taken into account in the intervention.

The efficiency of acoustic radiation force impulse (ARFI) elastography in the diagnosis and staging of carpal tunnel syndrome.

PubMed

Arslan, Harun; Yavuz, Alpaslan; İlgen, Ferda; Aycan, Abdurrahman; Ozgokce, Mesut; Akdeniz, Hüseyin; Batur, Abdussamet

2018-01-12

The aim of the present study was to quantify the stiffness of the median nerve (MN) at the carpal tunnel inlet by acoustic radiation force impulse (ARFI) elastography and to evaluate whether ARFI can be used in diagnosis and staging of carpal tunnel syndrome (CTS). Sonographic examinations of 96 wrists in 50 patients were included in the study. The cross-sectional area and stiffness of the MN were quantitatively measured by B-mode ultrasonography (USG) and ARFI. The findings of CTS were assigned to four groups: (I) normal (n = 21), (II) mild (n = 39), (III) moderate (n = 38), and (IV) severe (n = 19). The differences between CTS patients and controls and the differences in electrodiagnostic tests among subgroups were statistically compared. ROC analysis was performed to determine the cut-off values between subgroups. Bilateral CTS was present in 46 patients (92 wrists) and unilateral CTS in four patients. Of the 96 nerves in the 50 symptomatic "idiopathic CTS" patients (48 women, 2 men; mean age 45.9 years, range 23-73 years), 39 (40.4%) were mild, 38 (39.8%) were moderate, and 19 (19.8%) were severely affected. When compared to controls, MN stiffness was significantly higher in the CTS group (P < 0.001); furthermore, it was higher in the severe or extreme severity group than the mild or moderate severity group (P < 0.001). A 3.250 m/s cut-off value on ARFI revealed sensitivity, specificity, positive predictive value, negative predictive value, and accuracy of 81, 82, 95.1, 50, and 82%, respectively. The MN stiffness measured by ARFI elastography is significantly higher in patients with CTS then in controls. ARFI elastography appears to be a highly efficient imaging modality for the diagnosis and staging of these patients.

Melatonin Decreases Pulmonary Vascular Remodeling and Oxygen Sensitivity in Pulmonary Hypertensive Newborn Lambs

PubMed Central

Astorga, Cristian R.; González-Candia, Alejandro; Candia, Alejandro A.; Figueroa, Esteban G.; Cañas, Daniel; Ebensperger, Germán; Reyes, Roberto V.; Llanos, Aníbal J.; Herrera, Emilio A.

2018-01-01

Background: Chronic hypoxia and oxidative stress during gestation lead to pulmonary hypertension of the neonate (PHN), a condition characterized by abnormal pulmonary arterial reactivity and remodeling. Melatonin has strong antioxidant properties and improves pulmonary vascular function. Here, we aimed to study the effects of melatonin on the function and structure of pulmonary arteries from PHN lambs. Methods: Twelve lambs (Ovis aries) gestated and born at highlands (3,600 m) were instrumented with systemic and pulmonary catheters. Six of them were assigned to the control group (CN, oral vehicle) and 6 were treated with melatonin (MN, 1 mg.kg−1.d−1) during 10 days. At the end of treatment, we performed a graded oxygenation protocol to assess cardiopulmonary responses to inspired oxygen variations. Further, we obtained lung and pulmonary trunk samples for histology, molecular biology, and immunohistochemistry determinations. Results: Melatonin reduced the in vivo pulmonary pressor response to oxygenation changes. In addition, melatonin decreased cellular density of the media and diminished the proliferation marker KI67 in resistance vessels and pulmonary trunk (p < 0.05). This was associated with a decreased in the remodeling markers α-actin (CN 1.28 ± 0.18 vs. MN 0.77 ± 0.04, p < 0.05) and smoothelin-B (CN 2.13 ± 0.31 vs. MN 0.88 ± 0.27, p < 0.05). Further, melatonin increased vascular density by 134% and vascular luminal surface by 173% (p < 0.05). Finally, melatonin decreased nitrotyrosine, an oxidative stress marker, in small pulmonary vessels (CN 5.12 ± 0.84 vs. MN 1.14 ± 0.34, p < 0.05). Conclusion: Postnatal administration of melatonin blunts the cardiopulmonary response to hypoxia, reduces the pathological vascular remodeling, and increases angiogenesis in pulmonary hypertensive neonatal lambs.These effects improve the pulmonary vascular structure and function in the neonatal period under chronic hypoxia. PMID:29559926

Effects of organic complexed or inorganic Co, Cu, Mn and Zn supplementation during a 45-day preconditioning period on productive and health responses of feeder cattle.

PubMed

Lippolis, K D; Cooke, R F; Silva, L G T; Schubach, K M; Brandao, A P; Marques, R S; Larson, C K; Russell, J R; Arispe, S A; DelCurto, T; Bohnert, D W

2017-11-01

This experiment evaluated production and health parameters among cattle offered concentrates containing inorganic or organic complexed sources of supplemental Cu, Co, Mn and Zn during a 45-day preconditioning period. In total, 90 Angus×Hereford calves were weaned at 7 months (day -1), sorted by sex, weaning BW and age (261±2 kg; 224±2 days), and allocated to 18 drylot pens (one heifer and four steers per pen) on day 0; thus, all pens had equivalent initial BW and age. Pens were randomly assigned to receive a corn-based preconditioning concentrate containing: (1) Cu, Co, Mn and Zn sulfate sources (INR), (2) Cu, Mn, Co and Zn complexed organic source (AAC) or (3) no Cu, Co, Mn and Zn supplementation (CON). From day 0 to 45, cattle received concentrate treatments (2.7 kg/animal daily, as-fed basis) and had free-choice access to orchardgrass (Dactylis glomerata L.), long-stem hay and water. The INR and AAC treatments were formulated to provide the same daily amount of Co, Cu, Mn and Zn at a 50-, 16-, 8- and ninefold increase, respectively, compared with the CON treatment. On day 46, cattle were transported to a commercial feedlot, maintained as a single pen, and offered a free-choice receiving diet until day 103. Calf full BW was recorded on days -1 and 0, 45 and 46, and 102 and 103 for average daily gain (ADG) calculation. Liver biopsy was performed on days 0 (used as covariate), 22 and 45. Cattle were vaccinated against respiratory pathogens on days 15, 29 and 46. Blood samples were collected on days 15, 29, 45, 47, 49, 53 and 60. During preconditioning, mean liver concentrations of Co, Zn and Cu were greater (P⩽0.03) in AAC and INR compared with CON. No treatment effects were detected (P⩾0.17) for preconditioning feed intake, ADG or feed efficiency. No treatment effects were detected (P⩾0.48) for plasma concentrations of antibodies against Mannheimia haemolytica, bovine viral diarrhea types 1 and 2 viruses. Plasma haptoglobin concentrations were similar among treatments (P=0.98). Mean plasma cortisol concentration was greater (P⩽0.04) in CON compared with INR and AAC. No treatment effects were detected (P⩾0.37) for cattle ADG during feedlot receiving. Hence, INR and AAC increased liver concentrations of Co, Zn and Cu through preconditioning, but did not impact cattle performance and immunity responses during preconditioning and feedlot receiving.

Influence of rice straw cooking conditions in the soda-ethanol-water pulping on the mechanical properties of produced paper sheets.

PubMed

Navaee-Ardeh, S; Mohammadi-Rovshandeh, J; Pourjoozi, M

2004-03-01

A normalized design was used to examine the influence of independent variables (alcohol concentration, cooking time and temperature) in the catalytic soda-ethanol pulping of rice straw on various mechanical properties (breaking length, burst, tear index and folding endurance) of paper sheets obtained from each pulping process. An equation of each dependent variable as a function of cooking variables (independent variables) was obtained by multiple non-linear regression using the least square method by MATLAB software for developing of empirical models. The ranges of alcohol concentration, cooking time and temperature were 40-65% (w/w), 150-180 min and 195-210 degrees C, respectively. Three-dimensional graphs of dependent variables were also plotted versus independent variables. The optimum values of breaking length, burst and tear index and folding endurance were 4683.7 (m), 30.99 (kN/g), 376.93 (mN m2/g) and 27.31, respectively. However, short cooking time (150 min), high ethanol concentration (65%) and high temperature (210 degrees C) could be used to produce papers with suitable burst and tear index. However, for papers with best breaking length and folding endurance low temperature (195 degrees C) was desirable. Differences between optimum values of dependent variables obtained by normalized design and experimental data were less than 20%.

Developing learning community model with soft skill integration for the building engineering apprenticeship programme in vocational high school

NASA Astrophysics Data System (ADS)

Sutrisno, Dardiri, Ahmad; Sugandi, R. Machmud

2017-09-01

This study aimed to address the procedure, effectiveness, and problems in the implementation of learning model for Building Engineering Apprenticeship Training Programme. This study was carried out through survey method and experiment. The data were collected using questionnaire, test, and assessment sheet. The collected data were examined through description, t-test, and covariance analysis. The results of the study showed that (1) the model's procedure covered preparation course, readiness assessment, assignment distribution, handing over students to apprenticeship instructors, task completion, assisting, field assessment, report writing, and follow-up examination, (2) the Learning Community model could significantly improve students' active learning, but not improve students' hard skills and soft skills, and (3) the problems emerging in the implementation of the model were (1) students' difficulties in finding apprenticeship places and qualified instructors, and asking for relevant tasks, (2) teachers' difficulties in determining relevant tasks and monitoring students, and (3) apprenticeship instructors' difficulties in assigning, monitoring, and assessing students.

Using elemental profiles and stable isotopes to trace the origin of green coffee beans on the global market.

PubMed

Santato, Alessandro; Bertoldi, Daniela; Perini, Matteo; Camin, Federica; Larcher, Roberto

2012-09-01

A broad elemental profile incorporating 54 elements (Li, Be, B, Na, Mg, Al, P, K, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Rb, Sr, Y, Mo, Pd, Ag, Cd, Sn, Sb, Te, Cs, Ba, La, Ce, Pr, Nd, Sm, Eu, Gd, Dy, Er, Tm, Yb, Re, Ir, Pt, Au, Hg, Tl, Pb, Bi and U) in combination with δ(2) H, δ(13) C, δ(15) N and δ(18) O was used to characterise the composition of 62 green arabica (Coffea arabica) and robusta (Coffea canephora) coffee beans grown in South and Central America, Africa and Asia, the four most internationally renowned areas of production. The δ(2) H, Mg, Fe, Co and Ni content made it possible to correctly assign 95% of green coffee beans to the appropriate variety. Canonical discriminant analysis, performed using δ(13) C, δ(15) N, δ(18) O, Li, Mg, P, K, Mn, Co, Cu, Se, Y, Mo, Cd, La and Ce correctly traced the origin of 98% of coffee beans. Copyright © 2012 John Wiley & Sons, Ltd.

Late Devonian conodonts and event stratigraphy in northwestern Algerian Sahara

NASA Astrophysics Data System (ADS)

Mahboubi, Abdessamed; Gatovsky, Yury

2015-01-01

Conodonts recovered from the Late Devonian South Marhouma section comprise 5 genera with 31 species (3 undetermined). The fauna establishes the presence of MN Zones 5, undifferentiated 6/7, 8/10 for the Middle Frasnian, the MN Zones 11, 12, 13 for the Upper Frasnian as well as the Early through Late triangularis Zones in the basal Famennian. The outcropping lithological succession is one of mostly nodular calcilutites alternating with numerous marly and shaly deposits, which, in the lower and upper part, comprise several dysoxic dark shale intervals. Among these the Upper Kellwasser horizon can be precisely dated and as such the presence of the terminal Frasnian Kellwasser Event is recognized for the first time in Algeria. Both the Middlesex and Rhinestreet Events cannot yet be precisely located, but supposedly occur among the dark shale horizons in the lower part of the section. However, their assignment to a precise level has so far not been established. Though poor in conodont abundance the South Marhouma section provides first evidence of the presence of several Montagne Noire conodont zones within the so far widely unstudied Frasnian of the Ougarta Chain. As such it is considered representative for the northwestern Algerian Saoura region.

Contact replacement for NMR resonance assignment.

PubMed

Xiong, Fei; Pandurangan, Gopal; Bailey-Kellogg, Chris

2008-07-01

Complementing its traditional role in structural studies of proteins, nuclear magnetic resonance (NMR) spectroscopy is playing an increasingly important role in functional studies. NMR dynamics experiments characterize motions involved in target recognition, ligand binding, etc., while NMR chemical shift perturbation experiments identify and localize protein-protein and protein-ligand interactions. The key bottleneck in these studies is to determine the backbone resonance assignment, which allows spectral peaks to be mapped to specific atoms. This article develops a novel approach to address that bottleneck, exploiting an available X-ray structure or homology model to assign the entire backbone from a set of relatively fast and cheap NMR experiments. We formulate contact replacement for resonance assignment as the problem of computing correspondences between a contact graph representing the structure and an NMR graph representing the data; the NMR graph is a significantly corrupted, ambiguous version of the contact graph. We first show that by combining connectivity and amino acid type information, and exploiting the random structure of the noise, one can provably determine unique correspondences in polynomial time with high probability, even in the presence of significant noise (a constant number of noisy edges per vertex). We then detail an efficient randomized algorithm and show that, over a variety of experimental and synthetic datasets, it is robust to typical levels of structural variation (1-2 AA), noise (250-600%) and missings (10-40%). Our algorithm achieves very good overall assignment accuracy, above 80% in alpha-helices, 70% in beta-sheets and 60% in loop regions. Our contact replacement algorithm is implemented in platform-independent Python code. The software can be freely obtained for academic use by request from the authors.

1H, 13C, and 15N backbone assignment and secondary structure of the receptor-binding domain of vascular endothelial growth factor.

PubMed Central

Fairbrother, W. J.; Champe, M. A.; Christinger, H. W.; Keyt, B. A.; Starovasnik, M. A.

1997-01-01

Nearly complete sequence-specific 1H, 13C, and 15N resonance assignments are reported for the backbone atoms of the receptor-binding domain of vascular endothelial growth factor (VEGF), a 23-kDa homodimeric protein that is a major regulator of both normal and pathological angiogenesis. The assignment strategy relied on the use of seven 3D triple-resonance experiments [HN(CO)CA, HNCA, HNCO, (HCA)CONH, HN(COCA)HA, HN(CA)HA, and CBCA-(CO)NH] and a 3D 15N-TOCSY-HSQC experiment recorded on a 0.5 mM (12 mg/mL) sample at 500 MHz, pH 7.0, 45 degrees C. Under these conditions, 15N relaxation data show that the protein has a rotational correlation time of 15.0 ns. Despite this unusually long correlation time, assignments were obtained for 94 of the 99 residues; 8 residues lack amide 1H and 15N assignments, presumably due to rapid exchange of the amide 1H with solvent under the experimental conditions used. The secondary structure of the protein was deduced from the chemical shift indices of the 1H alpha, 13C alpha, 13C beta, and 13CO nuclei, and from analysis of backbone NOEs observed in a 3D 15N-NOESY-HSQC spectrum. Two helices and a significant amount of beta-sheet structure were identified, in general agreement with the secondary structure found in a recently determined crystal structure of a similar VEGF construct [Muller YA et al., 1997, Proc Natl Acad Sci USA 94:7192-7197]. PMID:9336848

Two-dimensional sup 1 H nuclear magnetic resonance study of AaH IT, an anti-insect toxin from the scorpion Androctonus australis Hector. Sequential resonance assignments and folding of the polypeptide chain

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

Darbon, H.; Weber, C.; Braun, W.

1991-02-19

Sequence-specific nuclear magnetic resonance assignments for the polypeptide backbone and for most of the amino acid side-chain protons, as well as the general folding of AaH IT, are described. AaH IT is a neurotoxin purified from the venom of the scorpion Androctonus australis Hector and is specifically active on the insect nervous system. The secondary structure and the hydrogen-bonding patterns in the regular secondary structure elements are deduced from nuclear Overhauser effects and the sequence locations of the slowly exchanging amide protons. The backbone folding is determined by distance geometry calculations with the DISMAN program. The regular secondary structure includesmore » two and a half turns of {alpha}-helix running from residues 21 to 30 and a three-stranded antiparallel {beta}-sheet including peptides 3-5, 34-38, and 41-46. Two tight turns are present, one connecting the end of the {alpha}-helix to an external strand of the {beta}-sheet, i.e., turn 31-34, and another connecting this same strand to the central one, i.e., turn 38-41. The differences in the specificity of these related proteins, which are able to discriminate between mammalian and insect voltage-dependent sodium channels of excitable tissues, are most probably brought about by the position of the C-terminal peptide with regard to a hydrophobic surface common to all scorpion toxins examined thus far. Thus, the interaction of a given scorpion toxin with its receptor might well be governed by the presence of this solvent-exposed hydrophobic surface, whereas adjacent areas modulate the specificity of the interaction.« less

Multiple band structures in 70Ge

NASA Astrophysics Data System (ADS)

Haring-Kaye, R. A.; Morrow, S. I.; Döring, J.; Tabor, S. L.; Le, K. Q.; Allegro, P. R. P.; Bender, P. C.; Elder, R. M.; Medina, N. H.; Oliveira, J. R. B.; Tripathi, Vandana

2018-02-01

High-spin states in 70Ge were studied using the 55Mn(18O,p 2 n ) fusion-evaporation reaction at a beam energy of 50 MeV. Prompt γ -γ coincidences were measured using the Florida State University Compton-suppressed Ge array consisting of three Clover detectors and seven single-crystal detectors. An investigation of these coincidences resulted in the addition of 31 new transitions and the rearrangement of four others in the 70Ge level scheme, providing a more complete picture of the high-spin decay pattern involving both positive- and negative-parity states with multiple band structures. Spins were assigned based on directional correlation of oriented nuclei ratios, which many times also led to unambiguous parity determinations based on the firm assignments for low-lying states made in previous work. Total Routhian surface calculations, along with the observed trends in the experimental kinematic moment of inertia with rotational frequency, support the multiquasiparticle configurations of the various crossing bands proposed in recent studies. The high-spin excitation spectra predicted by previous shell-model calculations compare favorably with the experimental one determined from this study.

Vibrational spectroscopic study of poldervaartite CaCa[SiO3(OH)(OH)

NASA Astrophysics Data System (ADS)

Frost, Ray L.; López, Andrés; Scholz, Ricardo; Lima, Rosa Malena Fernandes

2015-02-01

We have studied the mineral poldervaartite CaCa[SiO3(OH)(OH)] which forms a series with its manganese analogue olmiite CaMn[SiO3(OH)](OH) using a range of techniques including scanning electron microscopy, thermogravimetric analysis, Raman and infrared spectroscopy. Chemical analysis shows the mineral is reasonably pure and contains only calcium and manganese with low amounts of Al and F. Thermogravimetric analysis proves the mineral decomposes at 485 °C with a mass loss of 7.6% compared with the theoretical mass loss of 7.7%. A strong Raman band at 852 cm-1 is assigned to the SiO stretching vibration of the SiO3(OH) units. Two Raman bands at 914 and 953 cm-1 are attributed to the antisymmetric vibrations. Intense prominent peaks observed at 3487, 3502, 3509, 3521 and 3547 cm-1 are assigned to the OH stretching vibration of the SiO3(OH) units. The observation of multiple OH bands supports the concept of the non-equivalence of the OH units. Vibrational spectroscopy enables a detailed assessment of the molecular structure of poldervaartite.

Spectroscopic and electrochemical characterization of some Schiff base metal complexes containing benzoin moiety.

PubMed

El-Shahawi, M S; Al-Jahdali, M S; Bashammakh, A S; Al-Sibaai, A A; Nassef, H M

2013-09-01

The ligation behavior of bis-benzoin ethylenediamine (B2ED) and benzoin thiosemicarbazone (BTS) Schiff bases towards Ru(3+), Rh(3+), Pd(2+), Ni(2+) and Cu(2+) were determined. The bond length of M-N and spectrochemical parameters (10Dq, β, B and LFSE) of the complexes were evaluated. The redox characteristics of selected complexes were explored by cyclic voltammetry (CV) at Pt working electrode in non aqueous solvents. Au mesh (100 w/in.) optically transparent thin layer electrode (OTTLE) was also used for recording thin layer CV for selected Ru complex. Oxidation of some complexes occurs in a consecutive chemical reaction of an EC type mechanism. The characteristics of electron transfer process of the couples M(2+)/M(3+) and M(3+)/M(4+) (M=Ru(3+), Rh(3+)) and the stability of the complexes towards oxidation and/or reduction were assigned. The nature of the electroactive species and reduction mechanism of selected electrode couples were assigned. Copyright © 2013 The Authors. Published by Elsevier B.V. All rights reserved.

Photochemistry in a 3D metal-organic framework (MOF): monitoring intermediates and reactivity of the fac-to-mer photoisomerization of Re(diimine)(CO)3Cl incorporated in a MOF.

PubMed

Easun, Timothy L; Jia, Junhua; Calladine, James A; Blackmore, Danielle L; Stapleton, Christopher S; Vuong, Khuong Q; Champness, Neil R; George, Michael W

2014-03-03

The mechanism and intermediates in the UV-light-initiated ligand rearrangement of fac-Re(diimine)(CO)3Cl to form the mer isomer, when incorporated into a 3D metal-organic framework (MOF), have been investigated. The structure hosting the rhenium diimine complex is a 3D network with the formula {Mn(DMF)2[LRe(CO)3Cl]}∞ (ReMn; DMF = N,N-dimethylformamide), where the diimine ligand L, 2,2'-bipyridine-5,5'-dicarboxylate, acts as a strut of the MOF. The incorporation of ReMn into a KBr disk allows spatial distribution of the mer-isomer photoproduct in the disk to be mapped and spectroscopically characterized by both Fourier transform infrared and Raman microscopy. Photoisomerization has been monitored by IR spectroscopy and proceeds via dissociation of a CO to form more than one dicarbonyl intermediate. The dicarbonyl species are stable in the solid state at 200 K. The photodissociated CO ligand appears to be trapped within the crystal lattice and, upon warming above 200 K, readily recombines with the dicarbonyl intermediates to form both the fac-Re(diimine)(CO)3Cl starting material and the mer-Re(diimine)(CO)3Cl photoproduct. Experiments over a range of temperatures (265-285 K) allow estimates of the activation enthalpy of recombination for each process of ca. 16 (±6) kJ mol(-1) (mer formation) and 23 (±4) kJ mol(-1) (fac formation) within the MOF. We have compared the photochemistry of the ReMn MOF with a related alkane-soluble Re(dnb)(CO)3Cl complex (dnb = 4,4'-dinonyl-2,2'-bipyridine). Time-resolved IR measurements clearly show that, in an alkane solution, the photoinduced dicarbonyl species again recombines with CO to both re-form the fac-isomer starting material and form the mer-isomer photoproduct. Density functional theory calculations of the possible dicarbonyl species aids the assignment of the experimental data in that the ν(CO) IR bands of the CO loss intermediate are, as expected, shifted to lower energy when the metal is bound to DMF rather than to an alkane and both solution data and calculations suggest that the ν(CO) band positions in the photoproduced dicarbonyl intermediates of ReMn are consistent with DMF binding.

Temporal dynamics and population genetic structure of Fusarium graminearum in the upper Midwestern United States.

PubMed

Liang, J M; Xayamongkhon, H; Broz, K; Dong, Y; McCormick, S P; Abramova, S; Ward, T J; Ma, Z H; Kistler, H C

2014-12-01

Fusarium graminearum sensu stricto causes Fusarium head blight (FHB) in wheat and barley, and contaminates grains with several trichothecene mycotoxins, causing destructive yield losses and economic impact in the United States. Recently, a F. graminearum strain collected from Minnesota (MN) was determined to produce a novel trichothecene toxin, called NX-2. In order to determine the spatial and temporal dynamics of NX-2 producing strains in MN, North Dakota (ND) and South Dakota (SD), a total of 463 F. graminearum strains were collected from three sampling periods, 1999-2000, 2006-2007 and 2011-2013. A PCR-RFLP based diagnostic test was developed and validated for NX-2 producing strains based on polymorphisms in the Tri1 gene. Trichothecene biosynthesis gene (Tri gene)-based polymerase chain reaction (PCR) assays and ten PCR-restriction fragment length polymorphism (RFLP) markers were used to genotype all strains. NX-2 strains were detected in each sampling period but with a very low overall frequency (2.8%) and were mainly collected near the borders of MN, ND and SD. Strains with the 3ADON chemotype were relatively infrequent in 1999-2000 (4.5%) but increased to 29.4% in 2006-2007 and 17.2% in 2011-2013. The distribution of 3ADON producing strains also expanded from a few border counties between ND and MN in 1999-2000, southward toward the border between SD and MN in 2006-2007 and westward in 2011-2013. Genetic differentiation between 2006-2007 and 2011-2013 populations (3%) was much lower than that between 1999-2000 and 2006-2007 (22%) or 1999-2000 and 2011-2013 (20%) suggesting that most change to population genetic structure of F. graminearum occurred between 1999-2000 and 2006-2007. This change was associated with the emergence of a new population consisting largely of individuals with a 3ADON chemotype. A Bayesian clustering analysis suggested that NX-2 chemotype strains are part of a previously described Upper Midwestern population. However, these analyses also suggest that the NX-2 isolates could represent a distinct population, but that interpretations of population assignment are influenced by the small number of NX-2 strains available for analysis. Published by Elsevier Inc.

Fire Resistant Materials

NASA Technical Reports Server (NTRS)

1982-01-01

Fire hazard is greater in atmospheres containing a high percentage of oxygen under pressure. NASA intensified its fire safety research after a 1967 Apollo fire. A chemically treated fabric called Durette developed by Monsanto Company, which will not burn or produce noxious fumes, was selected as a material for Apollo astronaut garments. Monsanto sold production rights for this material to Fire Safe Products (FSP). Durette is now used for a wide range of applications such as: sheets, attendants' uniforms in hyperbaric chambers; crew's clothing, furniture and interior walls of diving chambers operated by the U.S. Navy and other oceanographic companies and research organizations. Pyrotect Safety Equipment, Minneapolis, MN produces Durette suits for auto racers, refuelers and crew chiefs from material supplied by FSP. FSP also manufactures Durette bags for filtering gases and dust from boilers, electric generators and similar systems. Durette bags are an alternative to other felted fiber capable of operating at high temperature that cost twice as much.

Investigation of Periodic Nuclear Decay Data with Spectral Analysis Techniques

NASA Astrophysics Data System (ADS)

Javorsek, D.; Sturrock, P.; Buncher, J.; Fischbach, E.; Gruenwald, T.; Hoft, A.; Horan, T.; Jenkins, J.; Kerford, J.; Lee, R.; Mattes, J.; Morris, D.; Mudry, R.; Newport, J.; Petrelli, M.; Silver, M.; Stewart, C.; Terry, B.; Willenberg, H.

2009-12-01

We provide the results from a spectral analysis of nuclear decay experiments displaying unexplained periodic fluctuations. The analyzed data was from 56Mn decay reported by the Children's Nutrition Research Center in Houston, 32Si decay reported by an experiment performed at the Brookhaven National Laboratory, and 226Ra decay reported by an experiment performed at the Physikalisch-Technische-Bundesanstalt in Germany. All three data sets possess the same primary frequency mode consisting of an annual period. Additionally a spectral comparison of the local ambient temperature, atmospheric pressure, relative humidity, Earth-Sun distance, and the plasma speed and latitude of the heliospheric current sheet (HCS) was performed. Following analysis of these six possible causal factors, their reciprocals, and their linear combinations, a possible link between nuclear decay rate fluctuations and the linear combination of the HCS latitude and 1/R motivates searching for a possible mechanism with such properties.

Rapid growth and photoluminescence properties of doped ZnS one-dimensional nanostructures

NASA Astrophysics Data System (ADS)

Zhuo, R. F.; Feng, H. T.; Yan, D.; Chen, J. T.; Feng, J. J.; Liu, J. Z.; Yan, P. X.

2008-06-01

In this paper we report the synthesis of doped ZnS one-dimensional (1D) nanostructures by well-established technique of chemical vapor deposition using Zn and S powder as precursors. The ZnS 1D nanostructures were grown on the surface of Au particle-filled anodic aluminum oxide templates, catalyst-free graphite sheets and silicon substrates. ZnS 1D nanostructures with Mn, Cu and Fe as dopants were prepared via a rapid process of 15-20 min. The morphologies of ZnS nanostructures synthesized on different substrates and at different growth temperatures have distinct dissimilarities. The size of ZnS nanowires originated from the Au catalysts could be varied by altering the size of membrane nanopores as well as the embedded Au particles. Room-temperature photoluminescence measurements reveal strong blue, green and yellow-orange light emissions from the doped ZnS 1D nanostructures.

The Pleistocene evolution of the East Antarctic Ice Sheet in the Prydz bay region: Stable isotopic evidence from ODP Site 1167

USGS Publications Warehouse

Theissen, K.M.; Dunbar, R.B.; Cooper, A. K.; Mucciarone, D.A.; Hoffmann, D.

2003-01-01

Ocean Drilling Program Leg 188, Prydz Bay, East Antarctica is part of a larger initiative to explore the Cenozoic history of the Antarctic Ice Sheet through direct drilling and sampling of the continental margins. In this paper, we present stable isotopic results from Ocean Drilling Program (ODP) Site 1167 located on the Prydz Channel Trough Mouth Fan (TMF), the first Antarctic TMF to be drilled. The foraminifer-based ??18O record is interpreted along with sedimentary and downhole logging evidence to reconstruct the Quaternary glacial history of Prydz Bay and the adjacent Lambert Glacier Amery Ice Shelf System (LGAISS). We report an electron spin resonance age date of 36. 9 ?? 3.3 ka at 0.45 m below sea floor and correlate suspected glacial-interglacial cycles with the global isotopic stratigraphy to improve the chronology for Site 1167. The ??18O record based on planktonic (Neogloboquadrina pachyderma (s.)) and limited benthic results (Globocassidulina crassa), indicates a trend of ice sheet expansion that was interrupted by a period of reduced ice volume and possibly warmer conditions during the early-mid-Pleistocene (0.9-1.38 Ma). An increase in ?? 18O values after ??? 900 ka appears to coincide with the mid-Pleistocene climate transition and the expansion of the northern hemisphere ice sheet. The ??18O record in the upper 50 m of the stratigraphic section indicates as few as three glacial-interglacial cycles, tentatively assigned as marine isotopic stages (MIS) 16-21, are preserved since the Brunhes/Matuyama paleomagnetic reversal (780 ka). This suggests that there is a large unconformity near the top of the section and/or that there may have been few extreme advances of the ice sheet since the mid-Pleistocene climate transition resulting in lowered sedimentation rates on the Prydz Channel TMF. The stable isotopic record from Site 1167 is one of the few available from the area south of the Antarctic Polar Front that has been linked with the global isotopic stratigraphy. Our results suggest the potential for the recovery of useful stable isotopic records in other TMFs. ?? 2003 Elsevier B.V. All rights reserved.

Effects of source of trace minerals and plane of nutrition on growth and health of transported neonatal dairy calves.

PubMed

Osorio, J S; Wallace, R L; Tomlinson, D J; Earleywine, T J; Socha, M T; Drackley, J K

2012-10-01

The aims of the experiment were to evaluate the effects of source of trace minerals (TM) and plane of nutrition (PN) early in life on growth and health of transported calves. Ninety male Holstein calves <1 wk old were assigned to treatments in a 2×2 factorial arrangement of PN and TM source in a randomized complete block design. Calves assigned to low PN (LPN) received milk replacer [22% crude protein (CP), 20% fat, 568 g of powder/d for wk 1 to 4, and 284 g of powder/d for wk 5] plus ad libitum access to starter [18% CP, dry matter (DM) basis, for wk 1 to 12] and a limited amount of hay (0.5 kg/d as fed, for wk 10 to 12); LPN calves were weaned at 6 wk. During wk 13 to 20, LPN calves were fed 3.2 kg/d of grower mix (16% CP, DM basis) plus chopped hay for ad libitum intake. Calves assigned to high PN (HPN) received variable amounts of milk replacer (28% CP; 20% fat; and 810, 1,136, and 568 g of powder/d for wk 1, 2 to 6, and 7, respectively) plus ad libitum access to starter (22% CP, DM basis, wk 1 to 12) and limited hay (0.5 kg/d as fed, for wk 10 to 12); HPN calves were weaned at wk 7. Calves assigned to HPN were offered grower mix for ad libitum intake plus a limited amount of chopped hay (0.5 kg/d, as-fed basis) from wk 13 to 20. Milk replacers were formulated to contain balanced amounts of either inorganic (I) or organic (O) TM (50, 50, 10, and 100mg/kg of Zn, Mn, Cu, and Fe, respectively), whereas respective ITM or OTM starters and growers contained Zn, Mn, Cu, and Co at 70, 55, 12, and 1mg/kg. The HPN treatments increased final body weight and stature measurements, average daily gain, and gain-to-feed ratio through wk 20. Starter intake was lower for calves fed HPN. The OTM increased growth when supplemented to HPN but not when supplemented to LPN. During the liquid-feeding period, fecal scores were more fluid for calves fed HPN but measures of health status did not differ among diets. Results indicated that an enhanced nutritional program during early life allowed calves to have greater overall growth and maintain a normal health status throughout the preweaning period. High PN and OTM were synergistic in increasing early growth of calves. Copyright © 2012 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Nuclear Data Sheets for A=243

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

Nesaraja, Caroline D; McCutchan, Elizabeth A.

2014-09-30

We present available information pertaining to the nuclear structure of all nuclei with mass numbers A=243. Various decay and reaction data are evaluated and compared. Adopted data, levels, spin, parity and configuration assignments are given. When there are insufficient data, expected values from systematics of nuclear properties or/and theoretical calculations are quoted. Unexpected or discrepant experimental results are also noted. A summary and compilation of the discovery of various isotopes in this mass region is given in 2013Fr02 ( 243Np, 243Pu, 243Am, 243Cm, 243Bk, and 243Cf), 2011Me01 ( 243Es), and 2013Th02 ( 243Fm).

"The Chemicals Project": Connecting General Chemistry to Students' Lives

NASA Astrophysics Data System (ADS)

Stout, Roland

2000-10-01

"The Chemicals Project" described here strives to bring freshman chemistry alive for students by emphasizing its connection to the real world and to their own lives and experiences. Its major assignments deal with chemical phobias, recognizing the chemicals found in everyday life and chemical hazards (using Material Data Safety Sheets). The project is described in a cooperative learning format, employs portfolio grading, and includes a significant writing component. Ways of linking this project with the course lecture and student evaluations of the project are described. The bottom line: pre- and post-testing shows that it works. The Chemicals Project brings chemistry alive for students.

High performance Li2MnO3/rGO composite cathode for lithium ion batteries

NASA Astrophysics Data System (ADS)

Zhao, Wei; Xiong, Lilong; Xu, Youlong; Li, Houli; Ren, Zaihuang

2017-05-01

The novel composite Li2MnO3 (LMO)/reduced graphene oxide (rGO) has been synthesized successfully. Based on the scanning electron microscopy and transmission electron microscopy, LMO is found to distribute separately on the rGO sheets by forming a laminated structure, which is in favor of good electrical contact between the cathode active materials and the rGO matrix, and also facilitates the separation of LMO secondary particles with reduced size. Cyclic voltammetry and electrochemical impedance spectroscopy tests show that the charge transfer resistance decreases from 81.2 Ω for LMO to 29.6 Ω for LMO/rGO composite. The Li-ion diffusion coefficient of LMO/rGO composite is almost triple that of LMO. As a result, the LMO/rGO composite delivers an initial discharge capacity of 284.9 mAh g-1 with a capacity retention of 86.6% after 45 cycles at 0.1 C between 2.0 and 4.6 V. Cycle performance is even better at a higher current density 0.2 C while the retention ratio is up to 97.1% after 45 cycles. The rate capability is also significantly enhanced, and the LMO/rGO composite could exhibit a large discharge capacity of 123.7 mAh g-1 which is more than three times larger than that of LMO (40.8 mAh g-1) at a high rate of 8 C.

Study of morphology effects on magnetic interactions and band gap variations for 3d late transition metal bi-doped ZnO nanostructures by hybrid DFT calculations

NASA Astrophysics Data System (ADS)

Datta, Soumendu; Kaphle, Gopi Chandra; Baral, Sayan; Mookerjee, Abhijit

2015-08-01

Using density functional theory (DFT) based electronic structure calculations, the effects of morphology of semiconducting nanostructures on the magnetic interaction between two magnetic dopant atoms as well as a possibility of tuning band gaps have been studied in the case of the bi-doped (ZnO)24 nanostructures with the impurity dopant atoms of the 3d late transition metals—Mn, Fe, Co, Ni, and Cu. To explore the morphology effect, three different structures of the host (ZnO)24 nano-system, having different degrees of spatial confinement, have been considered: a two dimensional nanosheet, a one dimensional nanotube, and a finite cage-shaped nanocluster. The present study employs hybrid density functional theory to accurately describe the electronic structure of all the systems. It is shown here that the magnetic coupling between the two dopant atoms remains mostly anti-ferromagnetic in the course of changing the morphology from the sheet geometry to the cage-shaped geometry of the host systems, except for the case of energetically most stable bi-Mn doping, which shows a transition from ferromagnetic to anti-ferromagnetic coupling with decreasing aspect ratio of the host system. The effect of the shape change, however, has a significant effect on the overall band gap variations of both the pristine as well as all the bi-doped systems, irrespective of the nature of the dopant atoms and provides a means for easy tunability of their optoelectronic properties.

Evolution of Lava Sheets for LIPs: Types of Local and Regional Trends

NASA Astrophysics Data System (ADS)

Rakhmenkulova, I. F.; Sharapov, V. N.

2011-12-01

The North-Atlantic Igneous Province (NAIP), the Permian-Triassic traps of the Siberian Platform (SP), and the volcanic shields of the Hawaiian Ridge can be regarded as the examples of local and regional trends for lava sheets evolution of LIPs. Complex statistical analysis for distribution functions of petrogenic and trace components showed that cyclicity and spatial asymmetry for melt compositions are typical for all lava sheets of LIPs. NAIP has the following features: 1) the formation of continental swell and its rifting; 2) the oceanic basin formation as a system of open basins at the east and the opening of the Central Atlantic to the north with the transverse volcanic zone of the Ferraro Ridge; 3) quick opening of the oceanic basin with the formation and accretion of lava sheet in the centre of the spreading zone (MOR). At the western NAIP part, during the sheet breakage, magnesian melts were forming, in the east - 'typical' trap tholeiitic association with thick lava profiles; oceanic part of the system contains various oceanic basalts. Iceland lava sheet passed through at least three subsequent formation stages with typical petrochemical igneous rock complexes. There are local petrochemical trends in the Iceland sheet: as the basalt crust thickens, acid melt amounts increase. The Permian-Triassic SP traps at the southern part of the Khatanga Rift (where the province started to develop spatially) have the following zones: layered profiles of tuffaceous rocks in the Tunguska Syncline, with various quantities of lava flows in the upper part of the profiles; to the south, within the holes between the net of fissure and central lava-breccia volcanic structures, reloaded tuff material is located; more to the south this structural zone changes to swarms of dyke-diatreme structures having typical near-vent depressions. The explosive coefficient within these zones increases from the north to the south. In the western part of trap zone there is a petrochemical zoning - in general basalts become less magnesian from the Norilsk mulde to the Angaro-Ilim iron-ore region, while intrusive rocks become more titanic and alkaline. In local time distribution functions of petrogenic and trace components various trends are recorded. The above-mentioned LIP characteristics for the Hawaiian volcanic ridge have the following specific features: 1) lava compositions and volumes change from the north to the south along the strike of the Hawaiian-Emperor Chain; 2) lava compositions in the southern part of the Hawaiian Ridge are asymmetric transversely; 3) magma compositions in local lava shields for Kea and Loa lines of the southern part of the Hawaiian Ridge are cyclic; 4) volcanogenic rocks of this area have some general properties: the compositions of petrogenic and trace components, as well as and the amounts of Pb and Hf isotopes increase in lavas from the south to the north; there are no spatial trends for Ti compounds and Sr isotopes; the amounts of Al, Fe, Mn, Na, K; P, C oxides, as well as the amounts of Sr, Eu, Tb, Rb, La, Th and Nd, Os isotopes decrease. We think that the recorded variation of LIP parameters is due to geodynamic conditions and the lithosphere rocks compositions.

Effects of structured versus non-structured learning on achievement and attitudes of fifth graders in a public aquarium

NASA Astrophysics Data System (ADS)

Kafka, Merryl Audrey

The investigator analyzed the main effect of a structured-learning experience in an informal setting, as well as interactions between the students' learning-style variations toward the element of structure and the imposed instructional conditions. The subjects consisted of 170 students enrolled in two public schools located in Brooklyn, New York. The students were predominantly a White multi-ethnic population consisting of 118 Caucasians, 25 Hispanics, 24 Asians, and 3 African-Americans. Three randomly assigned classes (n = 81) were provided trip sheets, which directed students on how to learn new information with written questions and directives. Three randomly assigned non-structured classes (n = 89) experienced the same exhibit in a free-form manner. Science-based criterion-referenced pre- and posttests were administered, in addition to Learning Style Inventories (Dunn, Dunn, & Price, 1996) and a modified Semantic Differential Scale (Pizzo, 1981), which was used to measure attitudinal levels. The non-structured group had access to similar content information in the form of exhibit graphics, but apparently they chose not to read it as carefully or engage in the information-seeking process as intensely as the students equipped with trip sheets. Analysis of covariance (ANCOVA) indicated that a structured-learning experience produced significantly higher science-achievement test scores than in a non-structured-learning experience (p = .0001). In addition, there was no single learning-style variation (preference, aversion, or no preference) to structure that produced significantly higher gains than another. Furthermore, attitudinal scores were not significantly different between structured and non-structured groups, as well as among homogeneous subsets of students with learning-style variations that matched, mismatched, or indicated no-preferenced positions on the element of structure. Hence, a moderate amount of structure resulted in academic gains without diminishing attitudinal scores. The fact that students' learning-style variations for sociological, design, and perceptual preferences were simultaneously accommodated in this setting may have contributed to the overall positive effects of this structure-based intervention. The diversified teaching resources of the exhibit and the sense of self-empowerment in a student-directed environment may have elevated students' attitudes regardless of their learning-style need for structure. The students' acceptance of a trip sheet that promoted the understanding of science concepts may have contributed to academic success.

Bainitic stabilization of austenite in low alloy sheet steels

NASA Astrophysics Data System (ADS)

Brandt, Mitchell L.

The stabilization of retained austenite in 'triple phase' ferrite/bainite/austenite sheet steels by isothermal bainite transformation after intercritical annealing has been studied in 0.27C-1.5Si steels with 0.8 to 2.4Mn. Dilatometric studies show that cooling rates comparable to CAPL processing result in approximately 30% conversion of austenite to epitaxial ferrite, but the reaction can be suppressed by the faster cooling rate of salt bath quenching. Measured isothermal transformation kinetics at 350 to 450sp°C shows a maximum overall rate near 400sp°C. X-ray diffraction shows that the amount of austenite retained from 400sp°C treatment peaks at 3 minutes but the carbon content increases monotonically to a saturation level. The stability of austenite in this type of steel has been quantified for the first time by direct measurement of the characteristic Msbsps{sigma} temperature. With variations in processing conditions and test temperatures, the tensile uniform ductility has been correlated with the amount and stability of retained austenite, while maintaining a constant 3% flow of 83 ksi. Consistent with previous transformations plasticity studies an optimal austenite stability is found at approximately 10 K above the Msbsps{sigma} temperature, demonstrating a maximum uniform ductility of 44% for an austenite content of 16%. Correlations indicate that desired uniform ductility levels of 20 to 25% could be achieved with only approximately 5% austenite if stability is optimized by placing Msbsps{sigma} 10 K below ambient temperature. Measured uniform ductility in plane strain tension shows similar trends with processing conditions, but models predict that stress state effects will shift the Msbsps{sigma} temperature approximately 5 K higher than that for uniaxial tension. The measured dependence of Msbsps{sigma} on austenite composition and particle size has been modeled via heterogeneous nucleation theory. The composition dependence is consistent with contributions from the transformation chemical driving force and the interfacial frictional work from solution hardening. An inverse dependence on the log of the particle volume is consistent with statistics of heterogeneous nucleation. The observed austenite carbon content at the end of bainitic transformation is consistent with paraequilibrium calculations adding a stored energy term to the bainitic ferrite. The model predicts that optimal austenite stability for maximum uniform ductility can be achieved at fixed particle size by lowering Mn and/or reducing the isothermal bainite transformation temperature.

Tracing Pleistocene to Holocene meltwater events and provenance of sediments in Baffin Bay using radiogenic isotope signals

NASA Astrophysics Data System (ADS)

Kirillova, Valeriia; Kasemann, Simone A.; Lucassen, Friedrich

2016-04-01

Large meltwater discharge is the principal carrier of detritus from the continent into the ocean and the dispersion of this detritus by ocean currents is a measure for the spatially focused addition of freshwater in the ocean in the high latitude areas. To trace Greenland ice sheet dynamics and freshwater routing during late Pleistocene to Holocene climate transition, we generate strontium (Sr), neodymium (Nd) and lead (Pb) isotope records on sediment cores in the Baffin Bay: GeoTÜ SL 170, covering the last 18.000 years of climate history and GeoTÜ SL 174, covering 40.000 years. Sr, Nd and Pb isotopes are used as proxies for the provenance of continental detritus and seawater sources. Isotope analyses were performed on two separated fractions from the sedimentary core material: the chemically leached fraction and the remaining detritus. Leachates are supposed to represent Fe-Mn coatings formed on the surface of the sediment grains and to reflect the bottom water signal. The detrital fraction acts as a tracer for the meltwater event and weathering regime of the nearby continental masses. For the detrital fraction of the core SL 170, a pronounced shift can be observed in all three isotope systems at ˜ 12 ka, what coincides with the Younger Dryas cold event. For the detrital fraction the 87Sr/86Sr is around ˜0,72 before the event and reaches up to ˜0,74 after. Nd isotope composition (ɛNd) changed from ˜-26 to ˜-32. The shift suggests a change in the continental sources from West and West-South Greenland to the Baffin Island and Canadian Archipelago. It can be explained by the ice sheet melting processes. The 206Pb/204Pb values for the detrital fraction range from ˜17 before the shift to ˜18 after. On the contrary, the leachates show pronounced radiogenic signatures with values changing from ˜21 to ˜23. The reason for such an unusual high values is most likely in the composition of the leached material, which doesn't seem to show the presence of Fe-Mn coatings as was suggested before. The work on the second core SL 174 is in progress. Up to now the results show similar patterns for isotope ratios as in the case of SL 170.

Weathering During Glacial-Interglacial Cycles Based on Pb Isotopes at Orphan Knoll, NW Atlantic

NASA Astrophysics Data System (ADS)

Flynn, S. N.; Martin, E. E.

2017-12-01

Seawater Pb isotopes extracted from FeMn oxyhydroxide coatings on deep sea sediments preserve a record of regional variations in continental weathering intensity. Crocket et al. (2012) documented a distinct increase in seawater Pb isotopes across Termination I (TI) at IODP Sites U1302/03 on Orphan Knoll in the NW Atlantic which they attributed to an increase in weathering intensity associated with ice sheet retreat. Deglaciation during Termination II (TII) was more rapid than TI due to higher insolation forcing and elevated CO2 levels. This rapid warming followed Heinrich Stadial 11 (HS11) cooling and circulation changes, but was not interrupted by a Younger Dryas-type reversal in warming. In this study, Pb isotopic data from leachates of the <63 µm fraction of bulk sediment from TII at Sites U1302/03 are used to test whether changes in weathering are a feature of terminations and whether differences in the character of the termination translate to differences in the weathering response. We analyzed the clay/silt fraction to minimize preformed FeMn oxyhydroxides associated with IRD. All three Pb isotopic systems display similar patterns. Seawater 206Pb/204Pb values are 19.5 during MIS 6, reach a minimum of 18.7 during HS11, increase in < 1 ky to 20.6 in MIS 5e, and then vary between 19.9 - 20.5 across MIS 5e-d. In comparison to the TI study (Crocket et al., 2009), the TII HS is defined by a minimum in Pb isotopes that suggests suppressed chemical weathering during cooling and ice sheet advance. The increase in 206Pb/204Pb during TII indicates a rapid increase in weathering at high latitudes following glacial retreat. This result is consistent with a negative shift in ɛNd values during TII observed farther south on Bermuda Rise and interpreted as increased weathering of old continental material (Deaney et al. 2017). Future research on TII at Orphan Knoll includes analyses of detrital Pb isotopes to isolate the impact of changes in source material versus weathering intensity on seawater Pb isotopes, and analyses of seawater Nd isotopes to better understand how changes in circulation might impact delivery of silt/clay fractions to Orphan Knoll. Overall, trends in seawater Pb isotopes at TII illustrate that variations in weathering intensity are sensitive to the rate and magnitude of climate change.

Effect of trace mineral source on lactation performance, claw integrity, and fertility of dairy cattle.

PubMed

Siciliano-Jones, J L; Socha, M T; Tomlinson, D J; DeFrain, J M

2008-05-01

Two hundred fifty multiparous and primiparous cows were assigned to a study at approximately 70 d prepartum to determine the effect of trace mineral source on lactation performance, claw integrity, and fertility. Cows received treatments from 3 wk prepartum through wk 35 postpartum. Treatments consisted of 1) all supplemental Zn, Mn, Cu, and Co provided in sulfate form (Sulfate) and 2) 360 mg of Zn, 200 mg of Mn, 125 mg of Cu, and 12 mg of Co supplied daily by Sulfate minerals replaced with similar amounts of minerals supplied by Availa-4 (CTM). Individuals involved with daily animal care or data recording, or both, were blinded to treatment assignments. Cows from all treatments were housed in common pens, and treatments were dispensed to cows via a computerized feeder. All claws of cows were examined before treatment administration and at 16 and 36 wk postpartum by personnel trained in identifying claw lesions. Cows fed the CTM diet tended to produce more milk and energy-corrected milk than cows fed the Sulfate diet. Cows fed the CTM diet also produced more milk protein and solids (fat + protein) than cows fed the Sulfate diet. Replacing Sulfate minerals with those supplied by CTM decreased incidence of sole ulcers at wk 36 postpartum and tended to decrease incidence of interdigital dermatitis at wk 16 and 36 postpartum. Severity of heel erosion tended to be less for cows fed CTM than cows receiving the Sulfate diet. Despite first service conception rates tending to be greater for cows fed the Sulfate diet, there was no effect of treatment on rate of conception. A greater percentage of cows fed the Sulfate diet tended to be culled from the herd before wk 36 postpartum than cows fed the CTM diet. Replacing Sulfate minerals with CTM resulted in improved lactation performance and claw integrity.

Materials Selection Criteria for Nuclear Power Applications: A Decision Algorithm

NASA Astrophysics Data System (ADS)

Rodríguez-Prieto, Álvaro; Camacho, Ana María; Sebastián, Miguel Ángel

2016-02-01

An innovative methodology based on stringency levels is proposed in this paper and improves the current selection method for structural materials used in demanding industrial applications. This paper describes a new approach for quantifying the stringency of materials requirements based on a novel deterministic algorithm to prevent potential failures. We have applied the new methodology to different standardized specifications used in pressure vessels design, such as SA-533 Grade B Cl.1, SA-508 Cl.3 (issued by the American Society of Mechanical Engineers), DIN 20MnMoNi55 (issued by the German Institute of Standardization) and 16MND5 (issued by the French Nuclear Commission) specifications and determine the influence of design code selection. This study is based on key scientific publications on the influence of chemical composition on the mechanical behavior of materials, which were not considered when the technological requirements were established in the aforementioned specifications. For this purpose, a new method to quantify the efficacy of each standard has been developed using a deterministic algorithm. The process of assigning relative weights was performed by consulting a panel of experts in materials selection for reactor pressure vessels to provide a more objective methodology; thus, the resulting mathematical calculations for quantitative analysis are greatly simplified. The final results show that steel DIN 20MnMoNi55 is the best material option. Additionally, more recently developed materials such as DIN 20MnMoNi55, 16MND5 and SA-508 Cl.3 exhibit mechanical requirements more stringent than SA-533 Grade B Cl.1. The methodology presented in this paper can be used as a decision tool in selection of materials for a wide range of applications.

Immune responses in lactating Holstein cows supplemented with Cu, Mn, and Zn as sulfates or methionine hydroxy analogue chelates.

PubMed

Nemec, L M; Richards, J D; Atwell, C A; Diaz, D E; Zanton, G I; Gressley, T F

2012-08-01

The aim of this study was to compare effects of inorganic sulfate versus chelated forms of supplemental Cu, Mn, and Zn on milk production, plasma and milk mineral concentrations, neutrophil activity, and antibody titer response to a model vaccination. Holstein cows (n=25) were assigned in 2 cohorts based on calving date to a 12-wk randomized complete block design study. The first cohort consisted of 17 cows that had greater days in milk (DIM; mean of 77 DIM at the start of the trial) than the second cohort of 8 cows (32 DIM at the start of the trial). Diets were formulated to supplement 100% of National Research Council requirements of Cu, Mn, and Zn by either inorganic trace minerals (ITM) in sulfate forms or chelated trace minerals (CTM) supplied as metal methionine hydroxy analog chelates, without accounting for trace mineral contribution from other dietary ingredients. Intake and milk production were recorded daily. Milk composition was measured weekly, and milk Cu, Mn, and Zn were determined at wk 0 and 8. Plasma Cu and Zn concentrations and neutrophil activity were measured at wk 0, 4, 8, and 12. Neutrophil activity was measured by in vitro assays of chemotaxis, phagocytosis, and reactive oxygen species production. A rabies vaccination was administered at wk 8, and vaccine titer response at wk 12 was measured by both rapid fluorescent focus inhibition test and ELISA. Analyzed dietary Cu was 21 and 23mg/kg, Mn was 42 and 46mg/kg, and Zn was 73 and 94mg/kg for the ITM and CTM diets, respectively. No effect of treatment was observed on milk production, milk composition, or plasma minerals. Dry matter intake was reduced for CTM compared with ITM cows, but this was largely explained by differences in body weight between treatments. Milk Cu concentration was greater for CTM than ITM cows, but this effect was limited to the earlier DIM cohort of cows and was most pronounced for multiparous compared with primiparous cows. Measures of neutrophil function were unaffected by treatment except for an enhancement in neutrophil phagocytosis with the CTM treatment found for the later DIM cohort of cows only. Rabies antibody titer in CTM cows was 2.8 fold that of ITM cows as measured by ELISA, with a trend for the rapid fluorescent focus inhibition test. Supplementation of Cu, Mn, and Zn as chelated sources may enhance immune response of early lactation dairy cows compared with cows supplemented with inorganic sources. Copyright © 2012 American Dairy Science Association. Published by Elsevier Inc. All rights reserved.

Changes in blood manganese concentration and MRI t1 relaxation time during 180 days of stainless steel welding-fume exposure in cynomolgus monkeys.

PubMed

Sung, Jae Hyuck; Kim, Choong Yong; Yang, Seoung Oh; Khang, Hyun Soo; Cheong, Hae Kwan; Lee, Jong Seong; Song, Chang-Woo; Park, Jung Duck; Han, Jeong Hee; Chung, Yong Hyun; Choi, Byung Sun; Kwon, Il Hoon; Cho, Myung Haeng; Yu, Il Je

2007-01-01

Welders are at risk of being exposed to high concentrations of welding fumes and developing pneumoconiosis or other welding-fume exposure-related diseases. Among such diseases, manganism resulting from welding-fume exposure remains a controversial issue, as although the movement of manganese into specific brain regions has been established, the similar movement of manganese presented with other metals, such as welding fumes, has not been clearly demonstrated as being similar to that of manganese alone. Meanwhile, the competition between Mn and iron for iron transporters, such as transferrin and DMT-1, to the brain has also been implicated in the welding-fume exposure. Thus, the increased signal intensities in the basal ganglia, including the globus pallidus and subcortical frontal white matter, based on T1-weighted magnetic resonances in welders, require further examination as regards the correspondence with an increased manganese concentration. Accordingly, to investigate the movement of manganese after welding-fume exposure, 6 cynomolgus monkeys were acclimated for 1 mo and assigned to 3 dose groups: unexposed, low dose of (total suspended particulate [TSP] 31 mg/m3, 0.9 mg/m3 of Mn), and high dose of total suspended particulate (62 mg/m3 TSP, 1.95 mg/m3 of Mn). The primates were exposed to manual metal-arc stainless steel (MMA-SS) welding fumes for 2 h/day in an inhalation chamber system equipped with an automatic fume generator for 6 mo. Magnetic resonance imaging (MRI) studies of the basal ganglia were conducted before the initiation of exposure and thereafter every month. During the exposure, the blood chemistry was monitored every 2 wk and the concentrations of metal components in the blood were measured every 2 wk and compared with ambient manganese concentrations. The manganese concentrations in the blood did not show any significant increase until after 2 mo of exposure, and then reached a plateau after 90 days of exposure, showing that an exposure period of at least 60 days was required to build up the blood Mn concentration. Furthermore, as the blood Mn concentration continued to build, a continued decrease in the MRI T1 relaxation time in the basal ganglia was also detected. These data suggested that prolonged inhalation of welding fumes induces a high MRI T1 signal intensity with an elevation of the blood manganese level. The presence of a certain amount of iron or other metals, such as Cr and Ni, in the inhaled welding fumes via inhalation was not found to have a significant effect on the uptake of Mn into the brain or the induction of a high MRI T1 signal intensity.

Influence of Filler Alloy Composition and Process Parameters on the Intermetallic Layer Thickness in Single-Sided Cold Metal Transfer Welding of Aluminum-Steel Blanks

NASA Astrophysics Data System (ADS)

Silvayeh, Zahra; Vallant, Rudolf; Sommitsch, Christof; Götzinger, Bruno; Karner, Werner; Hartmann, Matthias

2017-11-01

Hybrid components made of aluminum alloys and high-strength steels are typically used in automotive lightweight applications. Dissimilar joining of these materials is quite challenging; however, it is mandatory in order to produce multimaterial car body structures. Since especially welding of tailored blanks is of utmost interest, single-sided Cold Metal Transfer butt welding of thin sheets of aluminum alloy EN AW 6014 T4 and galvanized dual-phase steel HCT 450 X + ZE 75/75 was experimentally investigated in this study. The influence of different filler alloy compositions and welding process parameters on the thickness of the intermetallic layer, which forms between the weld seam and the steel sheet, was studied. The microstructures of the weld seam and of the intermetallic layer were characterized using conventional optical light microscopy and scanning electron microscopy. The results reveal that increasing the heat input and decreasing the cooling intensity tend to increase the layer thickness. The silicon content of the filler alloy has the strongest influence on the thickness of the intermetallic layer, whereas the magnesium and scandium contents of the filler alloy influence the cracking tendency. The layer thickness is not uniform and shows spatial variations along the bonding interface. The thinnest intermetallic layer (mean thickness < 4 µm) is obtained using the silicon-rich filler Al-3Si-1Mn, but the layer is more than twice as thick when different low-silicon fillers are used.

Seawater and Detrital Marine Pb Isotopes as Monitors of Antarctic Weathering Following Ice Sheet Development

NASA Astrophysics Data System (ADS)

Fenn, C.; Martin, E. E.; Basak, C.

2011-12-01

Comparisons of seawater and detrital Pb isotopes from sites proximal to Antarctica at the Eocene/Oligocene transition (EOT) are being used to understand variations in continental weathering associated with the development of the East Antarctic Ice Sheet (EAIS). Previous work has shown that seawater and detrital archives yield similar isotopic values during Eocene warmth, which is interpreted to record congruent chemical weathering of the continent. In contrast, distinct isotopic values for the two phases at the EOT represents increased incongruent mechanical weathering during growth of the ice sheet. For this study we expanded beyond the initial glaciation at the EOT to determine whether less dramatic changes in ice volume and climate also produce variations in weathering and intensity that are recorded by seawater and detrital Pb isotopes. We collected Nd and Pb isotope data from extractions of Fe-Mn oxide coatings of bulk decarbonated marine sediments, which preserve seawater isotopic values, and from complete dissolutions of the remaining silicate fraction for Ocean Drilling Program Site 748 on Kerguelen Plateau (1300 m modern water depth). The data spans an interval of deglaciation from ~23.5-27 Ma documented by δ18O that has been equated to a ~30% decrease in ice volume on Antarctica (Pekar and Christie-Blick, 2008, Palaeogeogr., Palaeoclim., Palaeoecol.). Initial results from Site 748 include the first ɛNd values for intermediate waters in the Oligocene Southern Ocean and reveal a value of ~-8 over the entire 3.5 my interval, which is consistent with values reported for deep Indian Ocean sites at this time and similar to deeper Southern Ocean sites. Corresponding detrital ɛNd values are less radiogenic and decrease from -9 to -13 during the study interval. Detrital 206Pb/204Pb values also decrease during the warming interval, while seawater 206Pb/204Pb values increase. The decrease in detrital values indicates the composition of source materials entering the ocean changed as the ice sheet waned. Increasing seawater 206Pb/204Pb may record enhanced chemical weathering under conditions of greater water availability and warmer temperatures combined with abundant rock flour created during the preceding glacial advance. As previous studies have documented initial weathering leachates tend to be more radiogenic than the parent rock composition. Alternatively, seawater values during warming in the late Oligocene approach values recorded during initial ice sheet expansion at the EOT in Site 738, which may suggest Pb isotope variations in seawater and detrital residues are not sensitive to less dramatic intervals of climate change and ice sheet dynamics. We plan to continue this study into the Pliocene to see if we can identify the timing of the transition from a wet-based to dry-based EAIS, an event that is likely to have profound consequences for weathering on Antarctica and the offset between the two Pb isotope archives.

Are safety data sheets for cleaning products used in Norway a factor contributing to the risk of workers exposure to chemicals?

PubMed

Suleiman, Abdulqadir M; Svendsen, Kristin V H

2014-10-01

Cleaning products are considered less hazardous than those used in other sectors. Suppliers and distributors are less conscientious when it comes to informing users on health risks. The aim of the study was to elaborate on the usefulness and clarity of information in the safety data sheets (SDS) for cleaning products, and considering if the use of these SDSs can be seen as a risk factor towards occupational exposure to hazardous chemicals in the sector. Safety data sheets were selected based on the risk level of the product assigned in an industrial sector scheme. 320 SDSs for cleaning products were reviewed. Constituent components found in the products over a given threshold were listed and available information thereof used to assess the perceived non-hazard consideration of the chemicals. The contents of the SDSs was generic and mostly incomplete. Safety measures and health information lacked sufficient specificity despite varying compositions and concentrations of components. There is generally incompatibility between mentioned sections on the suggested non-hazardous nature of the products and health effects. Not all substances used in these products have harmonized classifications, which makes them open to various classification of the products and the suggested safety measures. This results in different companies classifying similar products differently. Risk management measures and suggested personal protective equipment (PPEs) are given haphazardly. Physical properties relevant to risk assessment are not included. The safety data sheets are ambiguous, and they lack relevant and important information. Inadequate information and risk assessment concerning the products can lead to workers being exposed to hazardous chemicals. Underestimation of the hazard contribution of the components of the products and the insufficient, non-objective mention of appropriate control and protective measures are the major contributing elements. There is a need to test the products in order to establish health effects and product specific safety measures.

Temperature-dependent and anisotropic optical response of layered Pr0.5Ca1.5MnO4 probed by spectroscopic ellipsometry

NASA Astrophysics Data System (ADS)

Majidi, M. A.; Thoeng, E.; Gogoi, P. K.; Wendt, F.; Wang, S. H.; Santoso, I.; Asmara, T. C.; Handayani, I. P.; van Loosdrecht, P. H. M.; Nugroho, A. A.; Rübhausen, M.; Rusydi, A.

2013-06-01

We study the temperature dependence as well as anisotropy of optical conductivity (σ1) in the pseudocubic single crystal Pr0.5Ca1.5MnO4 using spectrocopic ellipsometry. Three transition temperatures are observed and can be linked to charge-orbital (TCO/OO˜320 K), two-dimensional-antiferromagnetic (2D-AFM) (˜200 K), and three-dimensional AFM (TN˜125 K) orderings. Below TCO/OO, σ1 shows a charge-ordering peak (˜0.8 eV) with a significant blue shift as the temperature decreases. Calculations based on a model that incorporates a static Jahn-Teller distortion and assumes the existence of a local charge imbalance between two different sublattices support this assignment and explain the blue shift. This view is further supported by the partial spectral weight analysis showing the onset of optical anisotropy at TCO/OO in the charge-ordering region (0.5-2.5 eV). Interestingly, in the charge-transfer region (2.5-4 eV), the spectral weight shows anomalies around the T2D-AFM that we attribute to the role of oxygen-p orbitals in stabilizing the CE-type magnetic ordering. Our result shows the importance of spin, charge, orbital, and lattice degrees of freedom in this layered manganite.

Silk: Optical Properties over 12.6 Octaves THz-IR-Visible-UV Range

PubMed Central

Balčytis, Armandas; Ryu, Meguya; Wang, Xuewen; Novelli, Fabio; Seniutinas, Gediminas; Du, Shan; Wang, Xungai; Li, Jingliang; Davis, Jeffrey; Appadoo, Dominique; Morikawa, Junko; Juodkazis, Saulius

2017-01-01

Domestic (Bombyx mori) and wild (Antheraea pernyi) silk fibers were characterised over a wide spectral range from THz 8 cm−1 (λ= 1.25 mm, f= 0.24 THz) to deep-UV 50×103 cm−1 (λ= 200 nm, f= 1500 THz) wavelengths or over a 12.6 octave frequency range. Spectral features at β-sheet, α-coil and amorphous fibroin were analysed at different spectral ranges. Single fiber cross sections at mid-IR were used to determine spatial distribution of different silk constituents and revealed an α-coil rich core and more broadly spread β-sheets in natural silk fibers obtained from wild Antheraea pernyi moths. Low energy T-ray bands at 243 and 229 cm−1 were observed in crystalline fibers of domestic and wild silk fibers, respectively, and showed no spectral shift down to 78 K temperature. A distinct 20±4 cm−1 band was observed in the crystalline Antheraea pernyi silk fibers. Systematic analysis and assignment of the observed spectral bands is presented. Water solubility and biodegradability of silk, required for bio-medical and sensor applications, are directly inferred from specific spectral bands. PMID:28772716

HEALTHY study school food service revenue and expense report.

PubMed

Treviño, Roberto P; Pham, Trang; Mobley, Connie; Hartstein, Jill; El Ghormli, Laure; Songer, Thomas

2012-09-01

Food service directors have a concern that federal reimbursement is not meeting the demands of increasing costs of healthier meals. The purpose of this article is to report the food option changes and the annual revenues and expenses of the school food service environment. The HEALTHY study was a 3-year (2006 to 2009) randomized, cluster-designed trial conducted in 42 middle schools at 7 field centers. The schools selected had at least 50% of students who were eligible for free or reduced-price lunch or who belonged to a minority group. A randomly assigned half of the HEALTHY schools received a school health intervention program consisting of 4 integrated components: nutrition, physical activity, behavioral knowledge and skills, and social marketing. The nutrition component consisted of changing the meal plans to meet 5 nutrition goals. Revenue and expense data were collected from income statements, federal meal records, à la carte sale sheets, school store sale sheets, donated money/food records, and vending machines. Although more intervention schools reached the nutritional goals than control schools, revenues and expenses were not significantly different between groups. The HEALTHY study showed no adverse effect of school food policies on food service finances. © 2012, American School Health Association.

HEALTHY Study School Food Service Revenue and Expense Report

PubMed Central

Treviño, Roberto P.; Pham, Trang; Mobley, Connie; Hartstein, Jill; El ghormli, Laure; Songer, Thomas

2013-01-01

BACKGROUND Food service directors have a concern that federal reimbursement is not meeting the demands of increasing costs of healthier meals. The purpose of this article is to report the food option changes and the annual revenues and expenses of the school food service environment. METHODS The HEALTHY study was a 3-year (2006 to 2009) randomized, cluster-designed trial conducted in 42 middle schools at 7 field centers. The schools selected had at least 50% of students who were eligible for free or reduced-price lunch or who belonged to a minority group. A randomly assigned half of the HEALTHY schools received a school health intervention program consisting of 4 integrated components: nutrition, physical activity, behavioral knowledge and skills, and social marketing. The nutrition component consisted of changing the meal plans to meet 5 nutrition goals. Revenue and expense data were collected from income statements, federal meal records, à la carte sale sheets, school store sale sheets, donated money/food records, and vending machines. RESULTS Although more intervention schools reached the nutritional goals than control schools, revenues and expenses were not significantly different between groups. CONCLUSION The HEALTHY study showed no adverse effect of school food policies on food service finances. PMID:22882105

Constraining Future Sea Level Rise Estimates from the Amundsen Sea Embayment, West Antarctica

NASA Astrophysics Data System (ADS)

Nias, I.; Cornford, S. L.; Edwards, T.; Gourmelen, N.; Payne, A. J.

2016-12-01

The Amundsen Sea Embayment (ASE) is the primary source of mass loss from the West Antarctic Ice Sheet. The catchment is particularly susceptible to grounding line retreat, because the ice sheet is grounded on bedrock that is below sea level and deepening towards its interior. Mass loss from the ASE ice streams, which include Pine Island, Thwaites and Smith glaciers, is a major uncertainty on future sea level rise, and understanding the dynamics of these ice streams is essential to constraining this uncertainty. The aim of this study is to construct a distribution of future ASE sea level contributions from an ensemble of ice sheet model simulations and observations of surface elevation change. A 284 member ensemble was performed using BISICLES, a vertically-integrated ice flow model with adaptive mesh refinement. Within the ensemble parameters associated with basal traction, ice rheology and sub-shelf melt rate were perturbed, and the effect of bed topography and sliding law were also investigated. Initially each configuration was run to 50 model years. Satellite observations of surface height change were then used within a Bayesian framework to assign likelihoods to each ensemble member. Simulations that better reproduced the current thinning patterns across the catchment were given a higher score. The resulting posterior distribution of sea level contributions is narrower than the prior distribution, although the central estimates of sea level rise are similar between the prior and posterior. The most extreme simulations were eliminated and the remaining ensemble members were extended to 200 years, using a simple melt rate forcing.

Contact Prediction for Beta and Alpha-Beta Proteins Using Integer Linear Optimization and its Impact on the First Principles 3D Structure Prediction Method ASTRO-FOLD

PubMed Central

Rajgaria, R.; Wei, Y.; Floudas, C. A.

2010-01-01

An integer linear optimization model is presented to predict residue contacts in β, α + β, and α/β proteins. The total energy of a protein is expressed as sum of a Cα – Cα distance dependent contact energy contribution and a hydrophobic contribution. The model selects contacts that assign lowest energy to the protein structure while satisfying a set of constraints that are included to enforce certain physically observed topological information. A new method based on hydrophobicity is proposed to find the β-sheet alignments. These β-sheet alignments are used as constraints for contacts between residues of β-sheets. This model was tested on three independent protein test sets and CASP8 test proteins consisting of β, α + β, α/β proteins and was found to perform very well. The average accuracy of the predictions (separated by at least six residues) was approximately 61%. The average true positive and false positive distances were also calculated for each of the test sets and they are 7.58 Å and 15.88 Å, respectively. Residue contact prediction can be directly used to facilitate the protein tertiary structure prediction. This proposed residue contact prediction model is incorporated into the first principles protein tertiary structure prediction approach, ASTRO-FOLD. The effectiveness of the contact prediction model was further demonstrated by the improvement in the quality of the protein structure ensemble generated using the predicted residue contacts for a test set of 10 proteins. PMID:20225257

The phosphate mineral arrojadite-(KFe) and its spectroscopic characterization

NASA Astrophysics Data System (ADS)

Frost, Ray L.; Xi, Yunfei; Scholz, Ricardo; Horta, Laura Frota Campos

2013-05-01

The arrojadite-(KFe) mineral has been analyzed using a combination of scanning electron microscopy and a combination of Raman and infrared spectroscopy. The origin of the mineral is Rapid Creek sedimentary phosphatic iron formation, northern Yukon. The formula of the mineral was determined as KNaCaNa(FeMgMn)Al(PO)10.85(POOH)(OH)2. The complexity of the mineral formula is reflected in the spectroscopy. Raman bands at 975, 991 and 1005 cm-1 with shoulder bands at 951 and 1024 cm-1 are assigned to the PO43- ν1 symmetric stretching modes. The Raman bands at 1024, 1066, 1092, 1123, 1148 and 1187 cm-1 are assigned to the PO43- ν3 antisymmetric stretching modes. A series of Raman bands observed at 540, 548, 557, 583, 604, 615 and 638 cm-1 are attributed to the ν4 out of plane bending modes of the PO4 and H2PO4 units. The ν2 PO4 and H2PO4 bending modes are observed at 403, 424, 449, 463, 479 and 513 cm-1. Hydroxyl and water stretching bands are readily observed. Vibrational spectroscopy enables new information about the complex phosphate mineral arrojadite-(KFe) to be obtained.

Vibrational spectroscopic study of poldervaartite CaCa[SiO3(OH)(OH)].

PubMed

Frost, Ray L; López, Andrés; Scholz, Ricardo; Lima, Rosa Malena Fernandes

2015-02-25

We have studied the mineral poldervaartite CaCa[SiO3(OH)(OH)] which forms a series with its manganese analogue olmiite CaMn[SiO3(OH)](OH) using a range of techniques including scanning electron microscopy, thermogravimetric analysis, Raman and infrared spectroscopy. Chemical analysis shows the mineral is reasonably pure and contains only calcium and manganese with low amounts of Al and F. Thermogravimetric analysis proves the mineral decomposes at 485°C with a mass loss of 7.6% compared with the theoretical mass loss of 7.7%. A strong Raman band at 852 cm(-1) is assigned to the SiO stretching vibration of the SiO3(OH) units. Two Raman bands at 914 and 953 cm(-1) are attributed to the antisymmetric vibrations. Intense prominent peaks observed at 3487, 3502, 3509, 3521 and 3547 cm(-1) are assigned to the OH stretching vibration of the SiO3(OH) units. The observation of multiple OH bands supports the concept of the non-equivalence of the OH units. Vibrational spectroscopy enables a detailed assessment of the molecular structure of poldervaartite. Copyright © 2014 Elsevier B.V. All rights reserved.

Short-period oscillations in photoemission from thin films of Cr(100)

NASA Astrophysics Data System (ADS)

Vyalikh, Denis V.; Zahn, Peter; Richter, Manuel; Dedkov, Yu. S.; Molodtsov, S. L.

2005-07-01

Angle-resolved photoemission (PE) study of thin films of Cr grown on Fe(100) reveals thickness-dependent short-period oscillations of the PE intensity close to the Fermi energy at k‖˜0 . The oscillations are assigned to quantum-well states (QWS) caused by the nesting between the Fermi-surface sheets around the Γ and the X points in the Brillouin zone of antiferromagnetic Cr. The experimental data are confirmed by density-functional calculations applying a screened Korringa-Kohn-Rostoker Green’s function method. The period of the experimentally observed QWS oscillations amounts to about 2.6 monolayers and is larger than the fundamental 2-monolayer period of antiferromagnetic coupling in Cr.

The vibrational spectrum of the hydrated alanine-leucine peptide in the amide region from IR experiments and first principles calculations

NASA Astrophysics Data System (ADS)

Hassan, Irtaza; Donati, Luca; Stensitzki, Till; Keller, Bettina G.; Heyne, Karsten; Imhof, Petra

2018-04-01

We have combined infrared (IR) experiments with molecular dynamics (MD) simulations in solution at finite temperature to analyse the vibrational signature of the small floppy peptide Alanine-Leucine. IR spectra computed from first-principles MD simulations exhibit no distinct differences between conformational clusters of α -helix or β -sheet-like folds with different orientations of the bulky leucine side chain. All computed spectra show two prominent bands, in good agreement with the experiment, that are assigned to the stretch vibrations of the carbonyl and carboxyl group, respectively. Variations in band widths and exact maxima are likely due to small fluctuations in the backbone torsion angles.

Mn(II) Oxidation by the Multicopper Oxidase Complex Mnx: A Coordinated Two-Stage Mn(II)/(III) and Mn(III)/(IV) Mechanism.

PubMed

Soldatova, Alexandra V; Romano, Christine A; Tao, Lizhi; Stich, Troy A; Casey, William H; Britt, R David; Tebo, Bradley M; Spiro, Thomas G

2017-08-23

The bacterial manganese oxidase MnxG of the Mnx protein complex is unique among multicopper oxidases (MCOs) in carrying out a two-electron metal oxidation, converting Mn(II) to MnO 2 nanoparticles. The reaction occurs in two stages: Mn(II) → Mn(III) and Mn(III) → MnO 2 . In a companion study , we show that the electron transfer from Mn(II) to the low-potential type 1 Cu of MnxG requires an activation step, likely forming a hydroxide bridge at a dinuclear Mn(II) site. Here we study the second oxidation step, using pyrophosphate (PP) as a Mn(III) trap. PP chelates Mn(III) produced by the enzyme and subsequently allows it to become a substrate for the second stage of the reaction. EPR spectroscopy confirms the presence of Mn(III) bound to the enzyme. The Mn(III) oxidation step does not involve direct electron transfer to the enzyme from Mn(III), which is shown by kinetic measurements to be excluded from the Mn(II) binding site. Instead, Mn(III) is proposed to disproportionate at an adjacent polynuclear site, thereby allowing indirect oxidation to Mn(IV) and recycling of Mn(II). PP plays a multifaceted role, slowing the reaction by complexing both Mn(II) and Mn(III) in solution, and also inhibiting catalysis, likely through binding at or near the active site. An overall mechanism for Mnx-catalyzed MnO 2 production from Mn(II) is presented.

Trace element reference values in tissues from inhabitants of the European Community. III. The control of preanalytical factors in the biomonitoring of trace elements in biological fluids.

PubMed

Minoia, C; Pietra, R; Sabbioni, E; Ronchi, A; Gatti, A; Cavalleri, A; Manzo, L

1992-06-09

In the context of a programme concerning the determination of trace elements in body fluids and tissues to establish trace element reference values, research has been undertaken on the control of preanalytical factors in order to develop sufficiently accurate and precise guidelines to be applied in routine work by using techniques such as graphite furnace atomic absorption spectroscopy (GFAAS). Aspects investigated are related to the risk of contamination during blood collection and the use of anticoagulants; the risk of losses during storage and freeze-drying as well as the possible risk of contamination arising from trace elements in airborne particulates of the laboratory environment. For the analysis of Al, Ba, Cd, Co, Cr, Mn, Mo, Ni, Sb, W, V and Zn in blood, Teflon cannula is the method of choice. The anticoagulants do not introduce disturbing contaminations of Rb, Se, Zn, while contaminations were observed for Co, Cr, Mn. Radiotracers in 'metabolized form' (radiolabelled rat or rabbit tissues from animals administered with radioisotopes) show that samples stored for 1 month at -20 degrees C have no significant trace metal losses. Strict ambient air quality standard has to be respected (continuous monitoring) due to the possibility of element contaminations inside the laboratory. The use of matrix modifiers could represent a toxicological risk to the operators. Critical factors should be considered ('metal sheets') for each element in each matrix. For instance 27 factors for Cr in serum have been suggested.

Study of morphology effects on magnetic interactions and band gap variations for 3d late transition metal bi-doped ZnO nanostructures by hybrid DFT calculations

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

Datta, Soumendu, E-mail: soumendu@bose.res.in; Baral, Sayan; Mookerjee, Abhijit

2015-08-28

Using density functional theory (DFT) based electronic structure calculations, the effects of morphology of semiconducting nanostructures on the magnetic interaction between two magnetic dopant atoms as well as a possibility of tuning band gaps have been studied in the case of the bi-doped (ZnO){sub 24} nanostructures with the impurity dopant atoms of the 3d late transition metals—Mn, Fe, Co, Ni, and Cu. To explore the morphology effect, three different structures of the host (ZnO){sub 24} nano-system, having different degrees of spatial confinement, have been considered: a two dimensional nanosheet, a one dimensional nanotube, and a finite cage-shaped nanocluster. The presentmore » study employs hybrid density functional theory to accurately describe the electronic structure of all the systems. It is shown here that the magnetic coupling between the two dopant atoms remains mostly anti-ferromagnetic in the course of changing the morphology from the sheet geometry to the cage-shaped geometry of the host systems, except for the case of energetically most stable bi-Mn doping, which shows a transition from ferromagnetic to anti-ferromagnetic coupling with decreasing aspect ratio of the host system. The effect of the shape change, however, has a significant effect on the overall band gap variations of both the pristine as well as all the bi-doped systems, irrespective of the nature of the dopant atoms and provides a means for easy tunability of their optoelectronic properties.« less

Manganese (Mn) Oxidation Increases Intracellular Mn in Pseudomonas putida GB-1

PubMed Central

Banh, Andy; Chavez, Valarie; Doi, Julia; Nguyen, Allison; Hernandez, Sophia; Ha, Vu; Jimenez, Peter; Espinoza, Fernanda; Johnson, Hope A.

2013-01-01

Bacterial manganese (Mn) oxidation plays an important role in the global biogeochemical cycling of Mn and other compounds, and the diversity and prevalence of Mn oxidizers have been well established. Despite many hypotheses of why these bacteria may oxidize Mn, the physiological reasons remain elusive. Intracellular Mn levels were determined for Pseudomonas putida GB-1 grown in the presence or absence of Mn by inductively coupled plasma mass spectrometry (ICP-MS). Mn oxidizing wild type P. putida GB-1 had higher intracellular Mn than non Mn oxidizing mutants grown under the same conditions. P. putida GB-1 had a 5 fold increase in intracellular Mn compared to the non Mn oxidizing mutant P. putida GB-1-007 and a 59 fold increase in intracellular Mn compared to P. putida GB-1 ∆2665 ∆2447. The intracellular Mn is primarily associated with the less than 3 kDa fraction, suggesting it is not bound to protein. Protein oxidation levels in Mn oxidizing and non oxidizing cultures were relatively similar, yet Mn oxidation did increase survival of P. putida GB-1 when oxidatively stressed. This study is the first to link Mn oxidation to Mn homeostasis and oxidative stress protection. PMID:24147089

Manganese accumulation in hair and teeth as a biomarker of manganese exposure and neurotoxicity in rats.

PubMed

Liang, Guiqiang; Zhang, Li'e; Ma, Shuyan; Lv, Yingnan; Qin, Huiyan; Huang, Xiaowei; Qing, Li; Li, Qin; Chen, Kangcheng; Xiong, Feng; Ma, Yifei; Nong, Jie; Yang, Xiaobo; Zou, Yunfeng

2016-06-01

Manganese (Mn) is an essential trace element to humans. However, excessive Mn causes cognitive impairment resulting from injury to the central nervous system within the hippocampus. No ideal biomarker is currently available for evaluating Mn exposure and associated neurotoxicity in the body. Hence, this study used Mn levels in the serum (MnS), teeth (MnT), and hair (MnH) as biomarkers for evaluating the association between Mn exposure and cognitive impairment in Mn-treated rats. A total of 32 male Sprague-Dawley rats were randomly divided into four groups, received 0, 5, 10, and 20 mg/(kg day) of MnCl2·4H2O for 5 days a week for 18 weeks, respectively. Lifetime Mn cumulative dose (LMCD) was used to evaluate external Mn exposure. Hippocampus, serum, teeth, and hair specimens were collected from the rats for Mn determination by graphite furnace atomic absorption spectrometry. Learning and memory functions were assessed using the Morris water maze test. Results showed that chronic Mn exposure increased the hippocampus (MnHip), MnS, MnT, and MnH levels, as well as impaired learning and memory function in rats. MnHip, MnT, and MnH levels were positively correlated with LMCD (r = 0.759, r = 0.925, and r = 0.908, respectively; p < 0.05), escape latency (r = 0.862, r = 0.716, and r = 0.814, respectively; p < 0.05), and the number of platform crossings (r = -0.734, r = -0.514, and r = -0.566, respectively; p < 0.05). No association was observed between MnS levels and the number of platform crossings (r = -0.286, p > 0.05). Thus, MnT and MnH detected long-term low-dose Mn exposure. These parameters can be reliable biomarkers for Mn exposure and associated neurotoxicity in Mn-treated rats.

Zn-Mn alloy coatings from acidic chloride bath: Effect of deposition conditions on the Zn-Mn electrodeposition-morphological and structural characterization

NASA Astrophysics Data System (ADS)

Loukil, N.; Feki, M.

2017-07-01

Zn-Mn alloy electrodeposition on steel electrode in chloride bath was investigated using cyclic voltammetric, chronopotentiometric and chronoamperometric techniques. Cyclic voltammetries (CV) reveal a deep understanding of electrochemical behaviors of each metal Zn, Mn, proton discharge and Zn-Mn co-deposition. The electrochemical results show that with increasing Mn2+ ions concentration in the electrolytic bath, Mn2+ reduction occurs at lower over-potential leading to an enhancement of Mn content into the Zn-Mn deposits. A dimensionless graph model was used to analyze the effect of Mn2+ ions concentration on Zn-Mn nucleation process. It was found that the nucleation process is not extremely affected by Mn2+ concentration. Nevertheless, it significantly depends on the applied potential. Several parameters such as Mn2+ ions concentration, current density and stirring were investigated with regard to the Mn content into the final Zn-Mn coatings. It was found that the Mn content increases with increasing the applied current density jimp and Mn2+ ions concentration in the electrolytic bath. However, stirring of the solution decreases the Mn content in the Zn-Mn coatings. The phase structure and surface morphology of Zn-Mn deposits are characterized by means of X-ray diffraction analysis and Scanning Electron Microscopy (SEM), respectively. The Zn-Mn deposited at low current density is tri-phasic and consisting of η-Zn, ζ-MnZn13 and hexagonal close packed ε-Zn-Mn. An increase in current density leads to a transition from crystalline to amorphous structure, arising from the hydroxide inclusions in the Zn-Mn coating at high current density.

Influence of Joint Configuration on the Strength of Laser Welded Presshardened Steel

NASA Astrophysics Data System (ADS)

Kügler, H.; Mittelstädt, C.; Vollertsen, F.

Presshardened steel is used in nowadays automotive production. Due to its high strength, sheet thicknesses can be reduced which results in decreasing weight of car body components. However, because of microstructure softening and coating agglomerations in the seam, welding is still a challenge. In this paper laser beam welding of 22MnB5 with varying energy input per irradiated area is presented. It is found that increasing energy input per seam length reduces tensile strength. Using a small spot size of 200 μm, tensile strength of 1434 N/mm2 can be reached in bead on plate welds. In lap welds tensile strength is limited because of coating particles agglomerating at the melt pool border line. However, the resulting strength is higher when using several small weld seams than using one seam with the same total seam width. With three weld seams, each 0.5mm in width, tensile strength of 911N/mm2 is reached in lap welding.

Fourier-transform infrared spectroscopy (FTIR) analysis of triclinic and hexagonal birnessites

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

Ling, Florence T.; Post, Jeffrey E.; Heaney, Peter J.

The characterization of birnessite structures is particularly challenging for poorly crystalline materials of biogenic origin, and a determination of the relative concentrations of triclinic and hexagonal birnessite in a mixed assemblage has typically required synchrotron-based spectroscopy and diffraction approaches. In this study, Fourier-transform infrared spectroscopy (FTIR) is demonstrated to be capable of differentiating synthetic triclinic Na-birnessite and synthetic hexagonal H-birnessite. Furthermore, IR spectral deconvolution of peaks resulting from Mnsingle bondO lattice vibrations between 400 and 750 cm - 1 yield results comparable to those obtained by linear combination fitting of synchrotron X-ray absorption fine structure (EXAFS) data when applied tomore » known mixtures of triclinic and hexagonal birnessites. Density functional theory (DFT) calculations suggest that an infrared absorbance peak at ~ 1628 cm - 1 may be related to OH vibrations near vacancy sites. The integrated intensity of this peak may show sensitivity to vacancy concentrations in the Mn octahedral sheet for different birnessites.« less

Electrophoretic deposition of bi-layered LSM/LSM-YSZ cathodes for solid oxide fuel cell

NASA Astrophysics Data System (ADS)

Itagaki, Yoshiteru; Watanabe, Shinji; Yamaji, Tsuyoshi; Asamoto, Makiko; Yahiro, Hidenori; Sadaoka, Yoshihiko

2012-09-01

Bi-layered cathodes with the LSM/LSM-YSZ structure for solid oxide fuel cells were successfully formed on the carbon-sputtered surface of a YSZ sheet by electrophoretic deposition (EPD). The thicknesses of the first layer of LSM-YSZ (LY) and the second layer of La0.8Sr0.2MnO3 (LSM) could be controlled by adjusting the deposition time in the EPD process. The cathodic properties of the bi-layered structures were superior to those of the mono-layered structures, and were dependent on the thickness of each layer. Decreasing the thickness of the first layer and increasing that of the second layer tended to reduce both polarization and ohmic resistances. The optimal thickness of the first layer at the operating temperature of 600 °C was 4 μm, suggesting that an effective three-phase boundary was extended from the interface between the electrolyte and cathode film to around 4 μm thickness.

Effect of Mn and Fe on the Formation of Fe- and Mn-Rich Intermetallics in Al-5Mg-Mn Alloys Solidified Under Near-Rapid Cooling.

PubMed

Liu, Yulin; Huang, Gaoren; Sun, Yimeng; Zhang, Li; Huang, Zhenwei; Wang, Jijie; Liu, Chunzhong

2016-01-29

Mn was an important alloying element used in Al-Mg-Mn alloys. However, it had to be limited to a low level (<1.0 wt %) to avoid the formation of coarse intermetallics. In order to take full advantage of the benefits of Mn, research was carried out to investigate the possibility of increasing the content of Mn by studying the effect of cooling rate on the formation of Fe- and Mn-rich intermetallics at different content levels of Mn and Fe. The results indicated that in Al-5Mg-Mn alloy with low Fe content (<0.1 wt %), intermetallic Al₆(Fe,Mn) was small in size and amount. With increasing Mn content, intermetallic Al₆(Fe,Mn) increased, but in limited amount. In high-Fe-containing Al-5Mg-Mn alloys (0.5 wt % Fe), intermetallic Al₆(Fe,Mn) became the dominant phase, even in the alloy with low Mn content (0.39 wt %). Cooling rate played a critical role in the refinement of the intermetallics. Under near-rapid cooling, intermetallic Al₆(Fe,Mn) was extremely refined. Even in the high Mn and/or high-Fe-containing alloys, it still demonstrated fine Chinese script structures. However, once the alloy composition passed beyond the eutectic point, the primary intermetallic Al₆(Fe,Mn) phase displayed extremely coarse platelet-like morphology. Increasing the content of Fe caused intermetallic Al₆(Fe,Mn) to become the primary phase at a lower Mn content.

[Chemical forms and ecological effect of soil Mn in liver cancer's high incidence area in Zhu-jiang River Delta, China].

PubMed

Dou, Lei; Zhou, Yong-Zhang; Li, Yong; Ma, Jin; An, Yan-Fei; Du, Hai-Yan; Li, Zhan-Qiang

2008-06-01

The samples of surface soil, deep soil, and vegetables were collected from the liver cancer's high- and low incidence areas in Zhujiang River Delta to study the relationships between soil Mn forms and vegetables' Mn enrichment. The results showed that the soil Mn in study area was mainly derived from parent materials, and rarely come from human activities. The average soil Mn content in liver cancer's high incidence area was 577.65 mg x kg(-1), being significantly lower than that of liver cancer's low incidence area (718.04 mg x kg(-1)) and whole country (710 mg x kg(-1)). The Mn forms in high incidence area were mainly of residual Mn and Fe-Mn oxide, and less of water soluble Mn and exchangeable Mn, with the sum of the latter two's distribution coefficients being not higher than 4%. In low incidence area, the distribution pattern of soil Mn forms was similar to that in high incidence area, but the absolute contents of the Mn forms were significantly higher. Soil total Mn and soil pH had significant effects on soil Mn forms. There existed significant positive correlations between soil total Mn and the Mn forms of Fe-Mn bound, humic acid bound, carbonate bound, and residual, and negative correlations between soil pH and soil water soluble and organic bound Mn forms. Among the test five kinds of vegetables, Youmai lettuce and Chinese cabbage in liver cancer' s high incidence area had a significantly lower Mn content than in low incidence area, while the other three had less difference. The Mn enrichment in test vegetables was positively correlated with to the content of soil available Mn (sum of water soluble Mn and exchangeable Mn), but had no correlations with the contents of soil total Mn and other Mn forms.

Nano-sized Mn3O4 and β-MnOOH from the decomposition of β-cyclodextrin-Mn: 2. The water-oxidizing activities.

PubMed

Najafpour, Mohammad Mahdi; Mostafalu, Ramin; Hołyńska, Małgorzata; Ebrahimi, Foad; Kaboudin, Babak

2015-11-01

Nano-sized Mn oxides contain Mn3O4, β-MnOOH and Mn2O3 have been prepared by a previously reported method using thermal decomposition of β-cyclodextrin-Mn complexes. In the next step, the water-oxidizing activities of these Mn oxides using cerium(IV) ammonium nitrate as a chemical oxidant are studied. The turnover frequencies for β-MnO(OH) and Mn3O4 are 0.24 and 0.01-0.17 (mmol O2/mol Mns), respectively. Subsequently, water-oxidizing activities of these compounds are compared to the other previously reported Mn oxides. Important factors affecting water oxidation by these Mn oxides are also discussed. Copyright © 2015 Elsevier B.V. All rights reserved.

BOOK REVIEW: Key Science Physics: New Edition and Key Science Physics for International Schools: Extension File

NASA Astrophysics Data System (ADS)

Maybank, Maureen

1999-09-01

When handling , I recalled how one set of sixth-form students that I taught affectionately referred to Jim Breithaupt's large format book Understanding Physics for Advanced Level as `Big Jim'. This package, for GCSE students and teachers, is its younger brother. Key Science Physics was reviewed in this journal over four years ago. Now it is in a new edition with an expanded ring file of teacher resources (a Teacher's Guide and Extension File). It has been expanded for a wider range of students to meet the requirements of all GCSE syllabuses with additional topics for IGCSE and IB. The international bit seems to be among materials in the file of resources and does not appear in the title of the students' textbook. This is not one of those purchases that will only get occasional use and be left in a department library but it is one that contains sufficient excellent material to become central to any GCSE Physics course. For the students there is a single-volume 396-page textbook in full colour (not a heavyweight book). Marginal comments point out places where an Activity or Assignment from the Extension File fits in. All the materials in the teacher's Extension File are cross referenced to the numbering of this textbook, i.e. its Themes, Topics, Checkpoints, Tests etc, not to page numbers. The margin is used in other attractive ways to highlight a summary, propose a first thought or provide a topic summary. The text is fruitful mix of pure physics, applications and personalities. To support the students' practical work the Extension File contains photocopiable sheets. For the activities and assignments a few contain a harder version to give access to the higher levels of attainment. Four alternatives to practical questions are given; there are also exam questions and multiple choice questions for each topic. These all have helpful mark schemes on the teacher's answers pages. What else do you get? A Glossary collection of sheets to photocopy with space to enter a definition in a second language. Versions of many key diagrams in the student book are enlarged and reworked in clear black and white to make OHP transparencies. There is a mention of these also being in colour on a CD-ROM. The organization of the Extension File is as clear as is reasonably possible. As a user, I would add coloured page dividers to mark the sections within it. The Teacher's Guide is admirable in its restraint - just 26 sides of topic notes - which includes the answers to the non-numerical checkpoint questions missing in the student book. It is not wordy or full of educational theory but succinct and relevant to the day-to-day business of learning with these materials. Reading it, I was aware of the snags that a novice teacher might be glad to know but were missing. As always, materials like these should come with a health warning - try out all homework sheets, instructions for activities and assignments before your students!

The molecular architecture of human N-acetylgalactosamine kinase.

PubMed

Thoden, James B; Holden, Hazel M

2005-09-23

Galactokinase plays a key role in normal galactose metabolism by catalyzing the conversion of alpha-d-galactose to galactose 1-phosphate. Within recent years, the three-dimensional structures of human galactokinase and two bacterial forms of the enzyme have been determined. Originally, the gene encoding galactokinase in humans was mapped to chromosome 17. An additional gene, encoding a protein with sequence similarity to galactokinase, was subsequently mapped to chromosome 15. Recent reports have shown that this second gene (GALK2) encodes an enzyme with greater activity against GalNAc than galactose. This enzyme, GalNAc kinase, has been implicated in a salvage pathway for the reutilization of free GalNAc derived from the degradation of complex carbohydrates. Here we report the first structural analysis of a GalNAc kinase. The structure of the human enzyme was solved in the presence of MnAMPPNP and GalNAc or MgATP and GalNAc (which resulted in bound products in the active site). The enzyme displays a distinctly bilobal appearance with its active site wedged between the two domains. The N-terminal region is dominated by a seven-stranded mixed beta-sheet, whereas the C-terminal motif contains two layers of anti-parallel beta-sheet. The overall topology displayed by GalNAc kinase places it into the GHMP superfamily of enzymes, which generally function as small molecule kinases. From this investigation, the geometry of the GalNAc kinase active site before and after catalysis has been revealed, and the determinants of substrate specificity have been defined on a molecular level.

Arsenite Oxidation by a Poorly-Crystalline Manganese Oxide 2. Results from X-ray Absorption Spectroscopy and X-ray Diffraction

PubMed Central

Lafferty, Brandon J.; Ginder-Vogel, Matthew; Zhu, Mengqiang; Livi, Kenneth J. T.; Sparks, Donald L.

2010-01-01

Arsenite (AsIII) oxidation by manganese oxides (Mn-oxides) serves to detoxify and, under many conditions, immobilize arsenic (As) by forming arsenate (AsV). AsIII oxidation by MnIV-oxides can be quite complex, involving many simultaneous forward reactions and subsequent back reactions. During AsIII oxidation by Mn-oxides, a reduction in oxidation rate is often observed, which is attributed to Mn-oxide surface passivation. X-ray absorption spectroscopy (XAS) and X-ray diffraction (XRD) data show that MnII sorption on a poorly-crystalline hexagonal birnessite (δ-MnO2) is important in passivation early during reaction with AsIII. Also, it appears that MnIII in the δ-MnO2 structure is formed by conproportionation of sorbed MnII and MnIV in the mineral structure. The content of MnIII within the δ-MnO2 structure appears to increase as the reaction proceeds. Binding of AsV to δ-MnO2 also changes as MnIII becomes more prominent in the δ-MnO2 structure. The data presented indicate that AsIII oxidation and AsV sorption by poorly-crystalline δ-MnO2 is greatly affected by Mn oxidation state in the δ-MnO2 structure. PMID:20977204

Assessment of saliva, hair and toenails as biomarkers of low level exposure to manganese from drinking water in children.

PubMed

Ntihabose, Ruth; Surette, Céline; Foucher, Delphine; Clarisse, Olivier; Bouchard, Maryse F

2018-01-01

We evaluated hair, toenails, and saliva (whole and supernatant) as biomarkers of exposure to manganese (Mn) in 274 school age children (6-13 years) consuming well water in southeastern New Brunswick, Canada. Mn concentrations in tap water ranged from <0.03 to 1046μgL -1 (geometric mean 5.96μgL -1 ). The geometric mean of Mn intake resulting from the consumption of water was 0.25 (0-34.95) μg kg -1 day -1 . Both Mn concentration in water and Mn intake were significantly correlated with Mn in hair (r=0.60 and r=0.53, respectively), Mn in toenail (r=0.29 and r=0.37 respectively) and to a lesser extent with Mn in saliva supernatant (r=0.14 and r=0.18, respectively). Mn in whole saliva did not correlate with Mn in water or Mn intake. Both Mn in hair and Mn in toenail allowed to discriminate the most exposed group from the least exposed group, based on Mn in water and Mn intake from water. In this group of children with low level Mn exposure, Mn concentrations in hair, and toenails reflected reasonably well Mn exposure from drinking water, whereas Mn content in saliva correlated less strongly. Copyright © 2017 Elsevier B.V. All rights reserved.

Theoretical investigation of the reaction of Mn+ with ethylene oxide.

PubMed

Li, Yuanyuan; Guo, Wenyue; Zhao, Lianming; Liu, Zhaochun; Lu, Xiaoqing; Shan, Honghong

2012-01-12

The potential energy surfaces of Mn(+) reaction with ethylene oxide in both the septet and quintet states are investigated at the B3LYP/DZVP level of theory. The reaction paths leading to the products of MnO(+), MnO, MnCH(2)(+), MnCH(3), and MnH(+) are described in detail. Two types of encounter complexes of Mn(+) with ethylene oxide are formed because of attachments of the metal at different sites of ethylene oxide, i.e., the O atom and the CC bond. Mn(+) would insert into a C-O bond or the C-C bond of ethylene oxide to form two different intermediates prior to forming various products. MnO(+)/MnO and MnH(+) are formed in the C-O activation mechanism, while both C-O and C-C activations account for the MnCH(2)(+)/MnCH(3) formation. Products MnO(+), MnCH(2)(+), and MnH(+) could be formed adiabatically on the quintet surface, while formation of MnO and MnCH(3) is endothermic on the PESs with both spins. In agreement with the experimental observations, the excited state a(5)D is calculated to be more reactive than the ground state a(7)S. This theoretical work sheds new light on the experimental observations and provides fundamental understanding of the reaction mechanism of ethylene oxide with transition metal cations.

Effect of Mn and Fe on the Formation of Fe- and Mn-Rich Intermetallics in Al–5Mg–Mn Alloys Solidified Under Near-Rapid Cooling

PubMed Central

Liu, Yulin; Huang, Gaoren; Sun, Yimeng; Zhang, Li; Huang, Zhenwei; Wang, Jijie; Liu, Chunzhong

2016-01-01

Mn was an important alloying element used in Al–Mg–Mn alloys. However, it had to be limited to a low level (<1.0 wt %) to avoid the formation of coarse intermetallics. In order to take full advantage of the benefits of Mn, research was carried out to investigate the possibility of increasing the content of Mn by studying the effect of cooling rate on the formation of Fe- and Mn-rich intermetallics at different content levels of Mn and Fe. The results indicated that in Al–5Mg–Mn alloy with low Fe content (<0.1 wt %), intermetallic Al6(Fe,Mn) was small in size and amount. With increasing Mn content, intermetallic Al6(Fe,Mn) increased, but in limited amount. In high-Fe-containing Al–5Mg–Mn alloys (0.5 wt % Fe), intermetallic Al6(Fe,Mn) became the dominant phase, even in the alloy with low Mn content (0.39 wt %). Cooling rate played a critical role in the refinement of the intermetallics. Under near-rapid cooling, intermetallic Al6(Fe,Mn) was extremely refined. Even in the high Mn and/or high-Fe-containing alloys, it still demonstrated fine Chinese script structures. However, once the alloy composition passed beyond the eutectic point, the primary intermetallic Al6(Fe,Mn) phase displayed extremely coarse platelet-like morphology. Increasing the content of Fe caused intermetallic Al6(Fe,Mn) to become the primary phase at a lower Mn content. PMID:28787888

Synchrotron-Based Techniques Shed Light on Mechanisms of Plant Sensitivity and Tolerance to High Manganese in the Root Environment.

PubMed

Blamey, F Pax C; Hernandez-Soriano, Maria C; Cheng, Miaomiao; Tang, Caixian; Paterson, David J; Lombi, Enzo; Wang, Wei Hong; Scheckel, Kirk G; Kopittke, Peter M

2015-11-01

Plant species differ in response to high available manganese (Mn), but the mechanisms of sensitivity and tolerance are poorly understood. In solution culture, greater than or equal to 30 µm Mn decreased the growth of soybean (Glycine max), but white lupin (Lupinus albus), narrow-leafed lupin (Lupin angustifolius), and sunflower (Helianthus annuus) grew well at 100 µm Mn. Differences in species' tolerance to high Mn could not be explained simply by differences in root, stem, or leaf Mn status, being 8.6, 17.1, 6.8, and 9.5 mmol kg(-1) leaf fresh mass at 100 µm Mn. Furthermore, x-ray absorption near edge structure analyses identified the predominance of Mn(II), bound mostly to malate or citrate, in roots and stems of all four species. Rather, differences in tolerance were due to variations in Mn distribution and speciation within leaves. In Mn-sensitive soybean, in situ analysis of fresh leaves using x-ray fluorescence microscopy combined with x-ray absorption near edge structure showed high Mn in the veins, and manganite [Mn(III)] accumulated in necrotic lesions apparently through low Mn sequestration in vacuoles or other vesicles. In the two lupin species, most Mn accumulated in vacuoles as either soluble Mn(II) malate or citrate. In sunflower, Mn was sequestered as manganite at the base of nonglandular trichomes. Hence, tolerance to high Mn was ascribed to effective sinks for Mn in leaves, as Mn(II) within vacuoles or through oxidation of Mn(II) to Mn(III) in trichomes. These two mechanisms prevented Mn accumulation in the cytoplasm and apoplast, thereby ensuring tolerance to high Mn in the root environment. © 2015 American Society of Plant Biologists. All Rights Reserved.

Synchrotron-Based Techniques Shed Light on Mechanisms of Plant Sensitivity and Tolerance to High Manganese in the Root Environment1[OPEN

PubMed Central

Blamey, F. Pax C.; Hernandez-Soriano, Maria C.; Cheng, Miaomiao; Tang, Caixian; Paterson, David J.; Lombi, Enzo; Wang, Wei Hong; Scheckel, Kirk G.; Kopittke, Peter M.

2015-01-01

Plant species differ in response to high available manganese (Mn), but the mechanisms of sensitivity and tolerance are poorly understood. In solution culture, greater than or equal to 30 µm Mn decreased the growth of soybean (Glycine max), but white lupin (Lupinus albus), narrow-leafed lupin (Lupin angustifolius), and sunflower (Helianthus annuus) grew well at 100 µm Mn. Differences in species’ tolerance to high Mn could not be explained simply by differences in root, stem, or leaf Mn status, being 8.6, 17.1, 6.8, and 9.5 mmol kg–1 leaf fresh mass at 100 µm Mn. Furthermore, x-ray absorption near edge structure analyses identified the predominance of Mn(II), bound mostly to malate or citrate, in roots and stems of all four species. Rather, differences in tolerance were due to variations in Mn distribution and speciation within leaves. In Mn-sensitive soybean, in situ analysis of fresh leaves using x-ray fluorescence microscopy combined with x-ray absorption near edge structure showed high Mn in the veins, and manganite [Mn(III)] accumulated in necrotic lesions apparently through low Mn sequestration in vacuoles or other vesicles. In the two lupin species, most Mn accumulated in vacuoles as either soluble Mn(II) malate or citrate. In sunflower, Mn was sequestered as manganite at the base of nonglandular trichomes. Hence, tolerance to high Mn was ascribed to effective sinks for Mn in leaves, as Mn(II) within vacuoles or through oxidation of Mn(II) to Mn(III) in trichomes. These two mechanisms prevented Mn accumulation in the cytoplasm and apoplast, thereby ensuring tolerance to high Mn in the root environment. PMID:26395840

Dietary Manganese Modulates PCB126 Toxicity, Metal Status, and MnSOD in the Rat

PubMed Central

Wang, Bingxuan; Klaren, William D.; Wels, Brian R.; Simmons, Donald L.; Olivier, Alicia K.; Wang, Kai; Robertson, Larry W.; Ludewig, Gabriele

2016-01-01

PCB126 (3,3′,4,4′,5-pentachlorobiphenyl) is a potent aryl hydrocarbon receptor agonist and induces oxidative stress. Because liver manganese (Mn) levels decrease in response to PCB126, a Mn dietary study was designed to investigate the role of Mn in PCB126 toxicity. Male Sprague Dawley rats received diets containing 0, 10, or 150 ppm added Mn for 3 weeks, followed by a single ip injection of corn oil or PCB126 (5 µmol/kg body weight). After 2 weeks, Mn, Cu, Zn, and Fe levels in the heart, liver, and liver mitochondria, and Mn-containing superoxide dismutase (MnSOD) and metallothionein mRNA, MnSOD protein, and MnSOD activity were determined. Mn levels in liver, heart, and liver mitochondria were strongly decreased by the Mn-deficient diet. Small effects on Fe levels and a stepwise increase in MnSOD activity with dietary Mn were also visible. PCB126 caused profound changes in Cu (up), Zn, Fe, and Mn (down) in liver, but not in heart, and differing effects (Cu, Zn, and Fe up, Mn down) in liver mitochondria. Liver MnSOD and metallothionein mRNA levels and MnSOD protein were increased but MnSOD activity was decreased by PCB126. PCB126-induced liver enlargement was dose-dependently reduced with increasing dietary Mn. These changes in metals homeostasis and MnSOD activity in liver but not heart may be a/the mechanism of PCB126 liver-specific toxicity. Specifically, transport of Fenton metals (Cu, Fe) into and Mn out of the mitochondria, a probable mechanism for lower MnSOD activity, may be a/the cause of PCB126-induced oxidative stress. The role of metallothioneins needs further evaluation. Dietary Mn slightly alleviated PCB126-induced toxicities. PMID:26660635

A Comparison of Two Yeast MnSODs: Mitochondrial Saccharomyces cerevisiae versus Cytosolic Candida albicans

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

Sheng Y.; Cabelli D.; Stich, T.A.

Human MnSOD is significantly more product-inhibited than bacterial MnSODs at high concentrations of superoxide (O{sub 2}{sup -}). This behavior limits the amount of H{sub 2}O{sub 2} produced at high [O{sub 2}{sup -}]; its desirability can be explained by the multiple roles of H{sub 2}O{sub 2} in mammalian cells, particularly its role in signaling. To investigate the mechanism of product inhibition in MnSOD, two yeast MnSODs, one from Saccharomyces cerevisiae mitochondria (ScMnSOD) and the other from Candida albicans cytosol (CaMnSODc), were isolated and characterized. ScMnSOD and CaMnSODc are similar in catalytic kinetics, spectroscopy, and redox chemistry, and they both rest predominantlymore » in the reduced state (unlike most other MnSODs). At high [O{sub 2}{sup -}], the dismutation efficiencies of the yeast MnSODs surpass those of human and bacterial MnSODs, due to very low level of product inhibition. Optical and parallel-mode electron paramagnetic resonance (EPR) spectra suggest the presence of two Mn{sup 3+} species in yeast Mn{sup 3+}SODs, including the well-characterized 5-coordinate Mn{sup 3+} species and a 6-coordinate L-Mn{sup 3+} species with hydroxide as the putative sixth ligand (L). The first and second coordination spheres of ScMnSOD are more similar to bacterial than to human MnSOD. Gln154, an H-bond donor to the Mn-coordinated solvent molecule, is slightly further away from Mn in yeast MnSODs, which may result in their unusual resting state. Mechanistically, the high efficiency of yeast MnSODs could be ascribed to putative translocation of an outer-sphere solvent molecule, which could destabilize the inhibited complex and enhance proton transfer from protein to peroxide. Our studies on yeast MnSODs indicate the unique nature of human MnSOD in that it predominantly undergoes the inhibited pathway at high [O{sub 2}{sup -}].« less

A Comparison of Two Yeast MnSODs: Mitochondrial Saccharomyces cerevisiae versus Cytosolic Candida albicans

PubMed Central

Sheng, Yuewei; Stich, Troy A.; Barnese, Kevin; Gralla, Edith B.; Cascio, Duilio; Britt, R. David; Cabelli, Diane E.; Valentine, Joan Selverstone

2011-01-01

Human MnSOD is significantly more product-inhibited than bacterial MnSODs at high concentrations of superoxide (O2−). This behavior limits the amount of H2O2 produced at high [O2−]; its desirability can be explained by the multiple roles of H2O2 in mammalian cells, particularly its role in signaling. To investigate the mechanism of product inhibition in MnSOD, two yeast MnSODs, one from Saccharomyces cerevisiae mitochondria (ScMnSOD) and the other from Candida albicans cytosol (CaMnSODc), were isolated and characterized. ScMnSOD and CaMnSODc are similar in catalytic kinetics, spectroscopy and redox chemistry, and they both rest predominantly in the reduced state (unlike most other MnSODs). At high [O2−] the dismutation efficiencies of the yeast MnSODs surpass those of human and bacterial MnSODs, due to very low level of product inhibition. Optical and parallel-mode electron paramagnetic resonance (EPR) spectra suggest the presence of two Mn3+ species in yeast Mn3+SODs, including the well-characterized 5-coordinate Mn3+ species and a 6-coordinate L-Mn3+ species with hydroxide as the putative sixth ligand (L). The first and second coordination spheres of ScMnSOD are more similar to bacterial than to human MnSOD. Gln154, an H-bond donor to the Mn-coordinated solvent molecule, is slightly further away from Mn in yeast MnSODs, which may result in their unusual resting state. Mechanistically, the high efficiency of yeast MnSODs could be ascribed to putative translocation of an outer-sphere solvent molecule, which could destabilize the inhibited complex and enhance proton transfer from protein to peroxide. Our studies on yeast MnSODs indicate the unique nature of human MnSOD in that it predominantly undergoes the inhibited pathway at high [O2−]. PMID:22077216

The bioavailability of manganese in welders in relation to its solubility in welding fumes.

PubMed

Ellingsen, Dag G; Zibarev, Evgenij; Kusraeva, Zarina; Berlinger, Balazs; Chashchin, Maxim; Bast-Pettersen, Rita; Chashchin, Valery; Thomassen, Yngvar

2013-02-01

Blood and urine samples for determination of manganese (Mn) and iron (Fe) concentrations were collected in a cross-sectional study of 137 currently exposed welders, 137 referents and 34 former welders. Aerosol samples for measurements of personal air exposure to Mn and Fe were also collected. The aerosol samples were assessed for their solubility using a simulated lung lining fluid (Hatch solution). On average 13.8% of the total Mn mass (range 1-49%; N = 237) was soluble (Hatch sol), while only 1.4% (<0.1-10.0%; N = 237) of the total Fe mass was Hatch sol. The welders had statistically significantly higher geometric mean concentrations of Mn in whole blood (B-Mn 12.8 vs. 8.0 μg L (-1)), serum (S-Mn 1.04 vs. 0.77 μg L(-1)) and urine (U-Mn 0.36 vs. 0.07 μg g (-1) cr.) than the referents. Statistically significant univariate correlations were observed between exposure to Hatch sol Mn in the welding aerosol and B-Mn, S-Mn and U-Mn respectively. Pearson's correlation coefficient between mean Hatch sol Mn of two days preceding the collection of biological samples and U-Mn was 0.46 (p < 0.001). The duration of employment as a welder in years was also associated with B-Mn and S-Mn, but not with U-Mn. Statistically significantly higher U-Mn and B-Mn were observed in welders currently exposed to even less than 12 and 6 μg m (-3) Hatchsol Mn, respectively. When using the 95(th) percentile concentration among the referents as a cut-point, 70.0 and 64.5% of the most highly exposed welders exceeded this level with respect to B-Mn and U-Mn. The concentrations of B-Mn, S-Mn and U-Mn were all highly correlated in the welders, but not in the referents.

Magnetic and electrical properties of several Mn-based amorphous alloys

NASA Astrophysics Data System (ADS)

Obi, Y.; Morita, H.; Fujimori, H.

1987-03-01

Magnetic and electrical properties of amorphous Mn-Y, Mn-Zr, and Mn-Nb alloys have been investigated. All these alloys have a temperature-dependent susceptibility which is well fitted by a Curie-Weiss law. This implies the existence of localized magnetic moments associated with the Mn atoms. In addition, amorphous Mn-Y alloys exhibit spin-glass characteristics at low temperature. The experimental results of the electrical resistivity show that the temperature coefficient of resistivity (TCR) of both Mn-Y and Mn-Zr are negative, while Mn-Nb has a positive TCR. On the other hand, the resistivity-temperature curves of Mn-Zr and Mn-Nb have nearly the same tendency but are different from that of Mn-Y.

Evidence for two interconverting protein isomers in the methotrexate complex of dihydrofolate reductase from Escherichia coli

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

Falzone, C.J.; Benkovic, S.J.; Wright, P.E.

1991-02-26

Two-dimensional {sup 1}H NMR methods and a knowledge of the X-ray crystal structure have been used to make resonance assignments for the amino acid side chains of dihydrofolate reductase from Escherichia coli complexed with methotrexate. The H7 proton on the pteridine ring of methotrexate was found to have NOEs to the methyl protons of Leu-28 which were assigned by using the L28F mutant. These NOEs indicated that the orientation of the methotrexate pteridine ring is similar in both solution and crystal structures. During the initial assignment process, it became evident that many of the resonances in this complex, unlike thosemore » of the folate complex, are severally broadened or doubled. The observation of two distinct sets of resonances in a ratio of approximately 2:1 was attributed to the presence of two protein isomers. Many of the side chains with clearly doubled resonances were located in the {beta}-sheet and the active site. Preliminary studies on the apoprotein also revealed doubled resonances in the absence of the inhibitor, indicating the existence of the protein isomers prior to methotrexate binding. In contrast to the methotrexate complex, the binary complex with folate and the ternary MTX-NADPH-DHFR complex presented a single enzyme form. These results are proposed to reflect the ability of folate and NADPH to bind predominantly to one protein isomer.« less

Creation of a 3Mn/1Fe cluster in the oxygen-evolving complex of photosystem II and investigation of its functional activity.

PubMed

Semin, B К; Davletshina, L N; Seibert, M; Rubin, A B

2018-01-01

Extraction of Mn cations from the oxygen-evolving complex (OEC) of Ca-depleted PSII membranes (PSII[-Ca,4Mn]) by reductants like hydroquinone (H 2 Q) occurs with lower efficiency at acidic pH (2Mn/reaction center [RC] are extracted at pH5.7) than at neutral pH (3Mn/RC are extracted at pH6.5) [Semin et al. Photosynth. Res. 125 (2015) 95]. Fe(II) also extracts Mn cations from PSII(-Ca,4Mn), but only 2Mn/RC at pH6.5, forming a heteronuclear 2Mn/2Fe cluster [Semin and Seibert, J. Bioenerg. Biomembr. 48 (2016) 227]. Here we investigated the efficiency of Mn extraction by Fe(II) at acidic pH and found that Fe(II) cations can extract only 1Mn/RC from PSII(-Ca,4Mn) membranes at pH 5.7, forming a 3Mn/1Fe cluster. Also we found that the presence of Fe cations in a heteronuclear cluster (2Mn/2Fe) increases the resistance of the remaining Mn cations to H 2 Q action, since H 2 Q can extract Mn cations from homonuclear Mn clusters of PSII(-Ca,4Mn) and PSII(-Ca,2Mn) membranes but not from the heteronuclear cluster in PSII(-Ca,2Mn,2Fe) membranes. H 2 Q also cannot extract Mn from PSII membranes obtained by incubation of PSII(-Ca,4Mn) membranes with Fe(II) cations at pH5.7, which suggests the formation of a heteronuclear 3Mn/1Fe cluster in the OEC. Functional activity of PSII with a 3Mn/1Fe cluster was investigated. PSII preparations with a 3Mn/1Fe cluster in the OEC are able to photoreduce the exogenous electron acceptor 2,6-dichlorophenolindophenol, possibly due to incomplete oxidation of water molecules as is the case with PSII(-Ca,2Mn,2Fe) samples. However, in the contrast to PSII(-Ca,2Mn,2Fe) samples PSII(-Ca,3Mn,1Fe) membranes can evolve O 2 at a low rate in the presence of exogenous Ca 2+ (at about 27% of the rate of O 2 evolution in native PSII membranes). The explanation for this phenomenon (either water splitting and production of molecular O 2 by the 3Mn/1Fe cluster or apparent O 2 evolution due to minor contamination of PSII(3Mn,1Fe) samples with PSII(-Ca,4Mn) membranes) is discussed. Copyright © 2017 Elsevier B.V. All rights reserved.

Concentration-dependent effects of spermine on apoptosis and consequent generation of multilayer myotube sheets from mouse embryoid bodies in vitro.

PubMed

Saito, Mikako; Abe, Natsuki; Ishida, Ayano; Nakagawa, Shota; Matsuoka, Hideaki

2014-12-01

The concentration-dependent effect of spermine was investigated on the spermine-induced generation of multilayer myotube sheets (MMTS) from mouse embryoid bodies (EBs). During spermine treatment for 24 h, a monolayer cell sheet that had already grown radially from the periphery of an EB was exfoliated. The exfoliation was inhibited by z-VAD.fmk, indicating the occurrence of apoptosis, and inhibited also by aminoguanidine, indicating the involvement of amine oxidase. Following the exfoliation, the cell growth restarted from the fresh periphery of EB in a spermine-free medium and finally formed MMTS. To analyze the contribution of apoptosis to the cell death causing exfoliation, the numbers of apoptotic, necrotic, and 2nd apoptotic cells were counted by staining with Annexin V-Cyanine-3 (AVC3) and 7-aminoactinomycin (7AAC). AVC3-positive, 7AAC-positive, and AVC3/7AAC doubly positive cells were assigned as apoptotic, necrotic, and 2nd necrotic cells, respectively. The relative number of apoptotic and 2nd necrotic cells (N A + N A/7) to the total number of dying cells (N T) was 84 ∼ 94%, which was independent of spermine concentration in the range from 0.1 to 2.0 mM. The MMTS generation rate at the final stage, however, was dependent on the spermine concentration. It was 60 ∼ 80% in the range from 0.1 to 1.5 mM, while it decreased sharply to 1% at 2 mM. This suggests another role of spermine in the MMTS generation in addition to the induction of apoptosis. This 2nd role seems to be inhibited at a spermine concentration higher than a critical limit between 1.5 and 2.0 mM.

The turbomachine blading design using S2-S1 approach

NASA Technical Reports Server (NTRS)

Luu, T. S.; Bencherif, L.; Viney, B.; Duc, J. M. Nguyen

1991-01-01

The boundary conditions corresponding to the design problem when the blades being simulated by the bound vorticity distribution are presented. The 3D flow is analyzed by the two steps S2 - S1 approach. In the first step, the number of blades is supposed to be infinite, the vortex distribution is transformed into an axisymmetric one, so that the flow field can be analyzed in a meridional plane. The thickness distribution of the blade producing the flow channel striction is taken into account by the modification of metric tensor in the continuity equation. Using the meridional stream function to define the flow field, the mass conservation is satisfied automatically. The governing equation is deduced from the relation between the azimuthal component of the vorticity and the meridional velocity. The value of the azimuthal component of the vorticity is provided by the hub to shroud equilibrium condition. This step leads to the determination of the axisymmetric stream sheets as well as the approximate camber surface of the blade. In the second step, the finite number of blades is taken into account, the inverse problem corresponding to the blade to blade flow confined in each stream sheet is analyzed. The momentum equation implies that the free vortex of the absolute velocity must be tangential to the stream sheet. The governing equation for the blade to blade flow stream function is deduced from this condition. At the beginning, the upper and the lower surfaces of the blades are created from the camber surface obtained from the first step with the assigned thickness distribution. The bound vorticity distribution and the penetrating flux conservation applied on the presumed blade surface constitute the boundary conditions of the inverse problem. The detection of this flux leads to the rectification of the geometry of the blades.

Manganese in plasma: a promising biomarker of exposure to Mn in welders. A pilot study.

PubMed

Hoet, Perrine; Vanmarcke, Els; Geens, Tom; Deumer, Gladys; Haufroid, Vincent; Roels, Harry A

2012-08-13

There is raising concern about the potential neurotoxic effects of manganese (Mn) inhalation exposure in welders. Because most of the airborne particles in welding fume are in the respirable fraction, their bioavailability is likely to be higher than for coarser dust exposure. No well-validated biomarker for Mn exposure is available. To investigate the interest of measuring Mn in plasma (Mn-P) and urine (Mn-U) as biomarkers of exposure in a group of 28 welders whose tasks were only welding-related. Ambient air exposure to Mn (Mn-air) was determined by personal full-shift measurements on Monday and Tuesday. On the same days, blood and urine samples were collected before and after the shift. Mn-air varied from 1.3 to 729 μg/m(3) (GM 27.7). For Mn-U 65% of the values in welders were below the LOQ (0.20 μg/L). Compared to controls, the welders' Mn-P averaged 33% higher (1.5 vs 2.0 μg/L). In welders, the after-shift Mn-P values correlated well with Mn-air above 10 μg/m(3). In spite of similar Mn-air exposure on Monday and Tuesday, the relationships between Mn-air and after-shift Mn-P strikingly differed on Tuesday in that the inflection in the relationship was less obvious and the slope of the regression line (Mn-P after-shift/logMn-air) for a doubling of logMn-air was 2.3 times lower than on Monday. On Monday (the first day of the workweek), a Mn-P value of 2 μg/L could distinguish Mn-air exposure above or below 20 μg/m(3) with a sensitivity of 69% and a specificity of 82%. This preliminary study indicates that Mn-P is a promising biomarker of current exposure to Mn in welders and lends biological plausibility to the intended change for the Mn TLV-TWA of 20 μg/m(3) proposed by ACGIH for respirable Mn particulate. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

Manganese in the shell of the bivalve Mytilus edulis: Seawater Mn or physiological control?

NASA Astrophysics Data System (ADS)

Freitas, Pedro S.; Clarke, Leon J.; Kennedy, Hilary; Richardson, Christopher A.

2016-12-01

Manganese in the shell calcite of marine bivalves has been suggested to reflect ambient seawater Mn concentrations, thus providing a high-resolution archive of past seawater Mn concentrations. However, a quantitative relationship between seawater Mn and shell Mn/Ca ratios, as well as clear understanding of which process(es) control(s) shell Mn/Ca, are still lacking. Blue mussels, Mytilus edulis, were grown in a one-year duration field experiment in the Menai Strait, U.K., to study the relationship between seawater particulate and dissolved Mn2+ concentrations and shell calcite Mn/Ca ratios. Shell Mn/Ca showed a well-defined intra-annual double-peak, with maximum values during early spring and early summer and low values during autumn and winter. Seawater particulate Mn peaked during winter and autumn, with a series of smaller peaks during spring and summer, whereas dissolved Mn2+ exhibited a marked single maximum during late-spring to early-summer, being low during the remainder of the year. Consequently, neither seawater particulate Mn nor dissolved Mn2+ concentrations explain the intra-annual variation of shell Mn/Ca ratios. A physiological control on shell Mn/Ca ratios is evident from the strong similarity and timing of the double-peaked intra-annual variations of Mn/Ca and shell growth rate (SGR), the latter corresponding to periods of increased metabolic activity (as indicated by respiration rate). It is thus likely that in M. edulis SGR influences shell Mn/Ca by altering the concentration or activity of Mn2+ within the extra-pallial fluid (EPF), by changing the flux of Mn into or the proportion of protein bound Mn within the EPF. By linking shell Mn/Ca ratios to the endogenous and environmental factors that determine growth and metabolic activity, this study helps to explain the lack of a consistent relationship between shell Mn/Ca in marine bivalve shell calcite and seawater particulate and dissolved Mn2+ concentrations. The use of Mn content from M. edulis shell calcite as a proxy for the dissolved and/or particulate Mn concentrations, and thus the biogeochemical processes that control them, remains elusive.

Mn(II,III) oxidation and MnO 2 mineralization by an expressed bacterial multicopper oxidase

DOE PAGES

Butterfield, Cristina N.; Soldatova, Alexandra V.; Lee, Sung -Woo; ...

2013-07-01

Reactive Mn(IV) oxide minerals are ubiquitous in the environment and control the bioavailability and distribution of many toxic and essential elements and organic compounds. Their formation is thought to be dependent on microbial enzymes, because spontaneous Mn(II) to Mn(IV) oxidation is slow. Several species of marine Bacillus spores oxidize Mn(II) on their exosporium, the outermost layer of the spore, encrusting them with Mn(IV) oxides. Molecular studies have identified the mnx (Mn oxidation) genes, including mnxG, encoding a putative multicopper oxidase (MCO), as responsible for this two-electron oxidation, a surprising finding because MCOs only catalyze single-electron transfer reactions. Characterization of themore » enzymatic mechanism has been hindered by the lack of purified protein. By purifying active protein from the mnxDEFG expression construct, we found that the resulting enzyme is a blue (absorption maximum 590 nm) complex containing MnxE, MnxF, and MnxG proteins. Further, by analyzing the Mn(II)- and (III)-oxidizing activity in the presence of a Mn(III) chelator, pyrophosphate, we found that the complex facilitates both electron transfers from Mn(II) to Mn(III) and from Mn(III) to Mn(IV). X-ray absorption spectroscopy of the Mn mineral product confirmed its similarity to Mn(IV) oxides generated by whole spores. Our results demonstrate that Mn oxidation from soluble Mn(II) to Mn(IV) oxides is a two-step reaction catalyzed by an MCO-containing complex. Lastly, with the purification of active Mn oxidase, we will be able to uncover its mechanism, broadening our understanding of Mn mineral formation and the bioinorganic capabilities of MCOs.« less

Mn(II,III) oxidation and MnO2 mineralization by an expressed bacterial multicopper oxidase

NASA Astrophysics Data System (ADS)

Butterfield, Cristina N.; Soldatova, Alexandra V.; Lee, Sung-Woo; Spiro, Thomas G.; Tebo, Bradley M.

2013-07-01

Reactive Mn(IV) oxide minerals are ubiquitous in the environment and control the bioavailability and distribution of many toxic and essential elements and organic compounds. Their formation is thought to be dependent on microbial enzymes, because spontaneous Mn(II) to Mn(IV) oxidation is slow. Several species of marine Bacillus spores oxidize Mn(II) on their exosporium, the outermost layer of the spore, encrusting them with Mn(IV) oxides. Molecular studies have identified the mnx (Mn oxidation) genes, including mnxG, encoding a putative multicopper oxidase (MCO), as responsible for this two-electron oxidation, a surprising finding because MCOs only catalyze single-electron transfer reactions. Characterization of the enzymatic mechanism has been hindered by the lack of purified protein. By purifying active protein from the mnxDEFG expression construct, we found that the resulting enzyme is a blue (absorption maximum 590 nm) complex containing MnxE, MnxF, and MnxG proteins. Further, by analyzing the Mn(II)- and (III)-oxidizing activity in the presence of a Mn(III) chelator, pyrophosphate, we found that the complex facilitates both electron transfers from Mn(II) to Mn(III) and from Mn(III) to Mn(IV). X-ray absorption spectroscopy of the Mn mineral product confirmed its similarity to Mn(IV) oxides generated by whole spores. Our results demonstrate that Mn oxidation from soluble Mn(II) to Mn(IV) oxides is a two-step reaction catalyzed by an MCO-containing complex. With the purification of active Mn oxidase, we will be able to uncover its mechanism, broadening our understanding of Mn mineral formation and the bioinorganic capabilities of MCOs.

Long-term manganese-toxicity-induced alterations of physiology and leaf protein profiles in two Citrus species differing in manganese-tolerance.

PubMed

You, Xiang; Yang, Lin-Tong; Qi, Yi-Ping; Guo, Peng; Lai, Ning-Wei; Ye, Xin; Li, Qiang; Chen, Li-Song

2017-11-01

Manganese (Mn)-intolerant 'Sour pummelo' (Citrus grandis) and Mn-tolerant 'Xuegan' (Citrus sinensis) seedlings were irrigated for 17 weeks with 2 (control) or 600μM (Mn-toxicity or -excess) MnSO 4 . C. sinensis had higher Mn-tolerance than C. grandis, as indicated by the higher photosynthesis rates in Mn-excess C. sinensis leaves. Under Mn-toxicity, Mn levels were similar between C. sinensis and C. grandis roots, but lower in C. sinensis leaves than in C. grandis leaves. This might be responsible for C. sinensis Mn-tolerance. Using two-dimensional electrophoresis, we identified more differentially abundant proteins (DAPs) in Mn-excess C. grandis than in Mn-excess C. sinensis leaves, which agrees with the higher Mn levels in Mn-excess C. grandis leaves. DAPs were mainly related to carbohydrate and energy metabolism, stress response, and protein and amino acid metabolism. DAPs involved in the cytoskeleton and signal transduction were found only in Mn-excess C. grandis leaves. We isolated more photosynthesis-related proteins with decreased abundances in Mn-excess C. grandis leaves than in Mn-excess C. sinensis leaves, which might account for the larger decrease in photosynthesis rates in C. grandis leaves. The abundances of proteins involved in reactive oxygen species (ROS) scavenging and photorespiration were increased in Mn-excess C. grandis leaves, while only proteins involved in ROS detoxification were increased in Mn-excess C. sinensis leaves. This agrees with the increased requirement for dissipating the excess absorbed light energy, which was higher in Mn-excess C. grandis leaves than Mn-excess C. sinensis leaves because Mn-toxicity inhibited photosynthesis to a greater degree in C. grandis leaves. Copyright © 2017 Elsevier GmbH. All rights reserved.

Mn(II,III) oxidation and MnO2 mineralization by an expressed bacterial multicopper oxidase

PubMed Central

Butterfield, Cristina N.; Soldatova, Alexandra V.; Lee, Sung-Woo; Spiro, Thomas G.; Tebo, Bradley M.

2013-01-01

Reactive Mn(IV) oxide minerals are ubiquitous in the environment and control the bioavailability and distribution of many toxic and essential elements and organic compounds. Their formation is thought to be dependent on microbial enzymes, because spontaneous Mn(II) to Mn(IV) oxidation is slow. Several species of marine Bacillus spores oxidize Mn(II) on their exosporium, the outermost layer of the spore, encrusting them with Mn(IV) oxides. Molecular studies have identified the mnx (Mn oxidation) genes, including mnxG, encoding a putative multicopper oxidase (MCO), as responsible for this two-electron oxidation, a surprising finding because MCOs only catalyze single-electron transfer reactions. Characterization of the enzymatic mechanism has been hindered by the lack of purified protein. By purifying active protein from the mnxDEFG expression construct, we found that the resulting enzyme is a blue (absorption maximum 590 nm) complex containing MnxE, MnxF, and MnxG proteins. Further, by analyzing the Mn(II)- and (III)-oxidizing activity in the presence of a Mn(III) chelator, pyrophosphate, we found that the complex facilitates both electron transfers from Mn(II) to Mn(III) and from Mn(III) to Mn(IV). X-ray absorption spectroscopy of the Mn mineral product confirmed its similarity to Mn(IV) oxides generated by whole spores. Our results demonstrate that Mn oxidation from soluble Mn(II) to Mn(IV) oxides is a two-step reaction catalyzed by an MCO-containing complex. With the purification of active Mn oxidase, we will be able to uncover its mechanism, broadening our understanding of Mn mineral formation and the bioinorganic capabilities of MCOs. PMID:23818588

Hair Manganese as an Exposure Biomarker among Welders.

PubMed

Reiss, Boris; Simpson, Christopher D; Baker, Marissa G; Stover, Bert; Sheppard, Lianne; Seixas, Noah S

2016-03-01

Quantifying exposure and dose to manganese (Mn) containing airborne particles in welding fume presents many challenges. Common biological markers such as Mn in blood or Mn in urine have not proven to be practical biomarkers even in studies where positive associations were observed. However, hair Mn (MnH) as a biomarker has the advantage over blood and urine that it is less influenced by short-term variability of Mn exposure levels because of its slow growth rate. The objective of this study was to determine whether hair can be used as a biomarker for welders exposed to manganese. Hair samples (1cm) were collected from 47 welding school students and individual air Mn (MnA) exposures were measured for each subject. MnA levels for all days were estimated with a linear mixed model using welding type as a predictor. A 30-day time-weighted average MnA (MnA30d) exposure level was calculated for each hair sample. The association between MnH and MnA30d levels was then assessed. A linear relationship was observed between log-transformed MnA30d and log-transformed MnH. Doubling MnA30d exposure levels yields a 20% (95% confidence interval: 11-29%) increase in MnH. The association was similar for hair washed following two different wash procedures designed to remove external contamination. Hair shows promise as a biomarker for inhaled Mn exposure given the presence of a significant linear association between MnH and MnA30d levels. © The Author 2015. Published by Oxford University Press on behalf of the British Occupational Hygiene Society.

Hair Manganese as an Exposure Biomarker among Welders

PubMed Central

Reiss, Boris; Simpson, Christopher D.; Baker, Marissa G.; Stover, Bert; Sheppard, Lianne; Seixas, Noah S.

2016-01-01

Quantifying exposure and dose to manganese (Mn) containing airborne particles in welding fume presents many challenges. Common biological markers such as Mn in blood or Mn in urine have not proven to be practical biomarkers even in studies where positive associations were observed. However, hair Mn (MnH) as a biomarker has the advantage over blood and urine that it is less influenced by short-term variability of Mn exposure levels because of its slow growth rate. The objective of this study was to determine whether hair can be used as a biomarker for welders exposed to manganese. Hair samples (1cm) were collected from 47 welding school students and individual air Mn (MnA) exposures were measured for each subject. MnA levels for all days were estimated with a linear mixed model using welding type as a predictor. A 30-day time-weighted average MnA (MnA30d) exposure level was calculated for each hair sample. The association between MnH and MnA30d levels was then assessed. A linear relationship was observed between log-transformed MnA30d and log-transformed MnH. Doubling MnA30d exposure levels yields a 20% (95% confidence interval: 11–29%) increase in MnH. The association was similar for hair washed following two different wash procedures designed to remove external contamination. Hair shows promise as a biomarker for inhaled Mn exposure given the presence of a significant linear association between MnH and MnA30d levels. PMID:26409267

Operando identification of the point of [Mn- 2]O- 4 spinel formation during gamma-MnO 2 discharge within batteries

DOE PAGES

Gallaway, Joshua W.; Hertzberg, Benjamin J.; Zhong, Zhong; ...

2016-05-07

The rechargeability of γ-MnO 2 cathodes in alkaline batteries is limited by the formation of the [Mn 2]O 4 spinels ZnMn 2O 4 (hetaerolite) and Mn 3O 4 (hausmannite). However, the time and formation mechanisms of these spinels are not well understood. Here we directly observe γ-MnO 2 discharge at a range of reaction extents distributed across a thick porous electrode. Coupled with a battery model, this reveals that spinel formation occurs at a precise and predictable point in the reaction, regardless of reaction rate. Observation is accomplished by energy dispersive X-ray diffraction (EDXRD) using photons of high energy andmore » high flux, which penetrate the cell and provide diffraction data as a function of location and time. After insertion of 0.79 protons per γ-MnO 2 the α-MnOOH phase forms rapidly. α-MnOOH is the precursor to spinel, which closely follows. ZnMn 2O 4 and Mn 3O 4 form at the same discharge depth, by the same mechanism. The results show the final discharge product, Mn 3O 4 or Mn(OH) 2, is not an intrinsic property of γ-MnO 2. While several studies have identified Mn(OH) 2 as the final γ-MnO 2 discharge product, we observe direct conversion to Mn 3O 4 with no Mn(OH) 2.« less

Fungal oxidative dissolution of the Mn(II)-bearing mineral rhodochrosite and the role of metabolites in manganese oxide formation.

PubMed

Tang, Yuanzhi; Zeiner, Carolyn A; Santelli, Cara M; Hansel, Colleen M

2013-04-01

Microbially mediated oxidation of Mn(II) to Mn(III/IV) oxides influences the cycling of metals and remineralization of carbon. Despite the prevalence of Mn(II)-bearing minerals in nature, little is known regarding the ability of microbes to oxidize mineral-hosted Mn(II). Here, we explored oxidation of the Mn(II)-bearing mineral rhodochrosite (MnCO3 ) and characteristics of ensuing Mn oxides by six Mn(II)-oxidizing Ascomycete fungi. All fungal species substantially enhanced rhodochrosite dissolution and surface modification. Mineral-hosted Mn(II) was oxidized resulting in formation of Mn(III/IV) oxides that were all similar to δ-MnO2 but varied in morphology and distribution in relation to cellular structures and the MnCO3 surface. For four fungi, Mn(II) oxidation occurred along hyphae, likely mediated by cell wall-associated proteins. For two species, Mn(II) oxidation occurred via reaction with fungal-derived superoxide produced at hyphal tips. This pathway ultimately resulted in structurally unique Mn oxide clusters formed at substantial distances from any cellular structure. Taken together, findings for these two fungi strongly point to a role for fungal-derived organic molecules in Mn(III) complexation and Mn oxide templation. Overall, this study illustrates the importance of fungi in rhodochrosite dissolution, extends the relevance of biogenic superoxide-based Mn(II) oxidation and highlights the potential role of mycogenic exudates in directing mineral precipitation. © 2012 Society for Applied Microbiology and Blackwell Publishing Ltd.

Manganese acquisition by Lactobacillus plantarum

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

Archibald, F.S.; Duong, M.N.

1984-04-01

Lactobacillus plantarum has an unusually high Mn(II) requirement for growth and accumulated over 30 mM intracellular Mn(II). The acquisition of Mn(II) by L. plantarum occurred via a specific active transport system powered by the transmembrane proton gradient. The Mn(II) uptake system has a K/sub m/ of 0.2 ..mu..M and a V/sub max/ of 24 nmol mg/sup -1/ of protein min/sup -1/. Above a medium Mn(II) concentration of 200 ..mu..M, the intracellular Mn(II) level was independent of the medium Mn(II) and unresponsive to oxygen stresses but was reduced by phosphate limitation. At a pH of 5.5, citrate, isocitrate, and cis-aconitate effectivelymore » promoted MN(II) uptake, although measurable levels of 1,5-(/sup 14/C)citrate were not accumulated. When cells were presented with equimolar Mn(II) and Cd(II), Cd(II) was preferentially taken up by the Mn(II) transport system. Both Mn(II) and Cd(II) uptake were greatly increased by Mn(II) starvation. Mn(II) uptake by Mn(II)-starved cells was subject to a negative feedback regulatory mechanism functioning less than 1 min after exposure of the cells to Mn(II) and independent of protein synthesis. When presented with a relatively large amount of exogenous Mn(II), Mn(II)-starved cells exhibited a measurable efflux of their internal Mn(II), but the rate was only a small fraction of the maximal Mn(II) uptake rate.« less

Magnetic properties of transition metal substituted La 0.85Ag 0.15Mn 1-yM yO 3 compounds (M=Co, Cr and Al)

NASA Astrophysics Data System (ADS)

Srivastava, S. K.; Ravi, S.

2009-12-01

In this paper we report a systematic study of Mn-site substitution by M=Co, Cr and Al in La 0.85Ag 0.15MnO 3 series to understand the magnetic interactions between Mn and other transition metals. The long-range ferromagnetic (FM) ordering of the parent compound was significantly affected by Mn-site substitution. The measured magnetic properties of Co-doped samples have been explained on the basis of FM interactions in Mn 3+-O-Mn 4+, Co 2+-O-Mn 4+, Co 3+-O-Mn 4+ networks and simultaneous antiferromagnetic (AFM) interactions in Mn 4+-O-Mn 4+, Co 2+-O-Mn 3+ networks. The magnetic properties of Cr-doped compounds could be understood on the basis of double exchange FM interactions in Mn 3+-O 2--Mn 4+ networks and competing AFM in Cr 3+-O-Mn 4+, Mn 4+-O-Mn 4+, Cr 3+-O-Mn 3+ networks. However, it is found that the doping of Al ions play a role of magnetic dilution, without contributing any other competing magnetic interaction. The field variations of magnetization of all the above three series could be analysed by fitting to Brillouin function model and the effective spin contribution for FM has been determined. The measured saturation magnetization has been explained quantitatively.

Mn2+ concentration manipulated red emission in BaMg2Si2O7:Eu2+,Mn2+

NASA Astrophysics Data System (ADS)

Ye, Song; Zhang, Jiahua; Zhang, Xia; Lu, Shaozhe; Ren, Xinguang; Wang, Xiaojun

2007-02-01

The luminescent properties of concentration dependence are reported in BaMg2Si2O7:Eu2+,Mn2+ red phosphor. It is observed that the broad red emission of Mn2+ consists of two bands, located at 620 and 675 nm, respectively, which are attributed to two different Mn2+ centers [Mn2+(I) and Mn2+(II)] substituting for two nonidentical Mg2+ sites [Mg2+(I) and Mg2+(II)] in the host. It is also found that the relative emission intensity of the Mn2+(II) to the Mn2+(I) increases with increasing Mn2+ concentration, leading to a red-shift of the overall emission. A detail analysis on the energy transfer from Eu2+ to the two Mn2+ centers is presented, which indicates that the number ratio of Mn2+(II) to Mn2+(I) increases with increasing Mn2+ concentration. This result is interpreted by the preferential formation of Mn2+(I) substituting for Mg2+(I) site. Based on energy transfer, the emission intensity ratios of Mn2+(I) to Eu2+ and Mn2+(II) to Eu2+, which is Mn2+ concentration dependent, are calculated using related fluorescence lifetimes. The calculated results are in good agreement with that obtained experimentally in the emission spectra.

Reduced graphene oxide supported MnS nanotubes hybrid as a novel non-precious metal electrocatalyst for oxygen reduction reaction with high performance

NASA Astrophysics Data System (ADS)

Tang, Yongfu; Chen, Teng; Guo, Wenfeng; Chen, Shunji; Li, Yanshuai; Song, Jianzheng; Chang, Limin; Mu, Shichun; Zhao, Yufeng; Gao, Faming

2017-09-01

Electronic structure of Mn cations, electric conductivity of active materials and three dimensional structure for mass transport play vital roles in the electrocatalytic activity of Mn-based electrocatalysts for oxygen reduction reaction (ORR). To construct efficient and robust Mn-based electrocatalysts, MnS nanotubes anchored on reduced graphene oxide (MnS-NT@rGO) hybrid was synthesized and used as a novel non-precious metal electrocatalyst for ORR. The formation of nano-tubular structure, which offers more active sites and suitable channels for mass transport to enhance the electrocatalytic activity towards ORR, are carefully illustrated based on the core-dissolution/shell-recrystallization type Ostwald ripening effect. Tuned electronic structure of Mn cations, enhanced electric conductivity and suitable nano-tubular structure endow MnS-NT@rGO electrocatalyst comparative catalytic activity to commercial 20 wt % Pt/C in alkaline electrolyte. The MnS-NT@rGO electrocatalyst exhibits higher catalytic activity than rGO supported MnS nanoparticles (MnS-NP@rGO) and MnS nanotubes without rGO substrate (MnS-NT), as well as rGO supported Mn(OH)2 (Mn(OH)2@rGO) and rGO supported MnO (MnO@rGO). Moreover, the MnS-NT@rGO electrocatalyst shows superior durability and methanol tolerance to commercial Pt/C.

Coordination Environment of a Site-Bound Metal Ion in the Hammerhead Ribozyme Determined by 15N and 2H ESEEM Spectroscopy

PubMed Central

Vogt, Matthew; Lahiri, Simanti; Hoogstraten, Charles G.; Britt, R. David; DeRose, Victoria J.

2010-01-01

Although site-bound Mg2+ ions have been proposed to influence RNA structure and function, establishing the molecular properties of such sites has been challenging due largely to the unique electrostatic properties of the RNA biopolymer. We have previously determined that, in solution, the hammerhead ribozyme (a self-cleaving RNA) has a high-affinity metal ion binding site characterized by a Kd,app < 10 µM for Mn2+ in 1 M NaCl and speculated that this site has functional importance in the ribozyme cleavage reaction. Here we determine both the precise location and the hydration level of Mn2+ in this site using ESEEM (electron spin–echo envelope modulation) spectroscopy. Definitive assignment of the high-affinity site to the activity-sensitive A9/G10.1 region is achieved by site-specific labeling of G10.1 with 15N guanine. The coordinated metal ion retains four water ligands as measured by 2H ESEEM spectroscopy. The results presented here show that a functionally important, specific metal binding site is uniquely populated in the hammerhead ribozyme even in a background of high ionic strength. Although it has a relatively high thermodynamic affinity, this ion remains partially hydrated and is chelated to the RNA by just two ligands. PMID:17177426

Multicopper Oxidase Involvement in Both Mn(II) and Mn(III) Oxidation during Bacterial Formation of MnO2

PubMed Central

Soldatova, Alexandra V.; Butterfield, Cristina; Oyerinde, Oyeyemi F.; Tebo, Bradley M.; Spiro, Thomas G.

2013-01-01

Global cycling of environmental manganese requires catalysis by bacteria and fungi for MnO2 formation, since abiotic Mn(II) oxidation is slow under ambient conditions. Genetic evidence from several bacteria implicates multicopper oxidases (MCOs) as being required for MnO2 formation. However, MCOs catalyze one-electron oxidations, whereas conversion of Mn(II) to MnO2 is a two-electron process. Trapping experiments with pyrophosphate (PP), a Mn(III) chelator, have demonstrated that Mn(III) is an intermediate in Mn(II) oxidation when mediated by exosporium from the Mn-oxidizing bacterium Bacillus SG-1. The reaction of Mn(II) depends on O2 and is inhibited by azide, consistent with MCO catalysis. We show that the subsequent conversion of Mn(III) to MnO2 also depends on O2 and is inhibited by azide. Thus, both oxidation steps appear to be MCO-mediated, likely by the same enzyme, indicated by genetic evidence to be the MnxG gene product. We propose a model of how the manganese oxidase active site may be organized to couple successive electron transfers to the formation of polynuclear Mn(IV) complexes as precursors to MnO2 formation. PMID:22892957

Activation of a water molecule using a mononuclear Mn complex: from Mn-aquo, to Mn-hydroxo, to Mn-oxyl via charge compensation.

PubMed

Lassalle-Kaiser, Benedikt; Hureau, Christelle; Pantazis, Dimitrios A; Pushkar, Yulia; Guillot, Régis; Yachandra, Vittal K; Yano, Junko; Neese, Frank; Anxolabéhère-Mallart, Elodie

2010-07-01

Activation of a water molecule by the electrochemical oxidation of a Mn-aquo complex accompanied by the loss of protons is reported. The sequential (2 × 1 electron/1 proton) and direct (2 electron/2 proton) proton-coupled electrochemical oxidation of a non-porphyrinic six-coordinated Mn(II)OH 2 complex into a mononuclear Mn(O) complex is described. The intermediate Mn(III)OH 2 and Mn(III)OH complexes are electrochemically prepared and analysed. Complete deprotonation of the coordinated water molecule in the Mn(O) complex is confirmed by electrochemical data while the analysis of EXAFS data reveals a gradual shortening of an Mn-O bond upon oxidation from Mn(II)OH 2 to Mn(III)OH and Mn(O). Reactivity experiments, DFT calculations and XANES pre-edge features provide strong evidence that the bonding in Mn(O) is best characterized by a Mn(III)-oxyl description. Such oxyl species could play a crucial role in natural and artificial water splitting reactions. We provide here a synthetic example for such species, obtained by electrochemical activation of a water ligand.

Structure and properties of Mn4Cl9: an antiferromagnetic binary hyperhalogen.

PubMed

Li, Yawei; Zhang, Shunhong; Wang, Qian; Jena, Puru

2013-02-07

Calculations based on density functional theory show that the structure of Mn(4)Cl(9) anion is that of a Mn atom at the core surrounded by three MnCl(3) moieties. Since Mn is predominantly divalent and MnCl(3) is known to be a superhalogen with a vertical detachment energy (VDE) of 5.27 eV, Mn(4)Cl(9) can be viewed as a hyperhalogen with the formula unit Mn(MnCl(3))(3). Indeed, the calculated VDE of Mn(4)Cl(9) anion, namely 6.76 eV, is larger than that of MnCl(3) anion. More importantly, unlike previously discovered hyperhalogens, Mn(4)Cl(9) is the first such hyperhalogen species composed of only two constituent atoms. We further show that Mn(4)Cl(9) can be used as a ligand to design molecules with even higher VDEs. For example, Li[Mn(MnCl(3))(3)](2) anion has a VDE of 7.26 eV. These negatively charged clusters are antiferromagnetic with most of the magnetic moments localized at the Mn sites. Our studies show new pathways for creating binary hyperhalogens.

Structure and properties of Mn4Cl9: An antiferromagnetic binary hyperhalogen

NASA Astrophysics Data System (ADS)

Li, Yawei; Zhang, Shunhong; Wang, Qian; Jena, Puru

2013-02-01

Calculations based on density functional theory show that the structure of Mn4Cl9 anion is that of a Mn atom at the core surrounded by three MnCl3 moieties. Since Mn is predominantly divalent and MnCl3 is known to be a superhalogen with a vertical detachment energy (VDE) of 5.27 eV, Mn4Cl9 can be viewed as a hyperhalogen with the formula unit Mn(MnCl3)3. Indeed, the calculated VDE of Mn4Cl9 anion, namely 6.76 eV, is larger than that of MnCl3 anion. More importantly, unlike previously discovered hyperhalogens, Mn4Cl9 is the first such hyperhalogen species composed of only two constituent atoms. We further show that Mn4Cl9 can be used as a ligand to design molecules with even higher VDEs. For example, Li[Mn(MnCl3)3]2 anion has a VDE of 7.26 eV. These negatively charged clusters are antiferromagnetic with most of the magnetic moments localized at the Mn sites. Our studies show new pathways for creating binary hyperhalogens.

Direct effects of manganese compounds on dopamine and its metabolite Dopac: an in vitro study

PubMed Central

Sistrunk, Shannon C.; Ross, Matthew K.; Filipov, Nikolay M.

2007-01-01

Following combustion of fuel containing the additive methylcyclopentadienyl-manganese-tricarbonyl (MMT), manganese phosphate (MnPO4) and manganese sulfate (MnSO4) are emitted in the atmosphere. Manganese chloride (MnCl2), another Mn2+ species, is widely used experimentally. Using rat striatal slices, we found that MnPO4 decreased tissue and media dopamine (DA) and media Dopac (a DA metabolite) levels substantially more than either MnCl2 or MnSO4; antioxidants were partially protective. Also, both MnCl2 and MnPO4 (more potently) oxidized DA and Dopac even in the absence of tissue in the media, suggesting a direct interaction between Mn and DA/Dopac. Because aminochrome is a major oxidation product of DA, we next determined whether MnPO4 will be more potent in forming aminochrome than MnCl2 or MnSO4 which, indeed, was the case. Thus, a potential additional mechanism for the neurotoxic effects of environmentally-relevant forms of Mn, MnPO4 in particular, is the generation of reactive DA intermediates. PMID:18449324

Science education: A meta-analysis of major questions

NASA Astrophysics Data System (ADS)

Anderson, Ronald D.; Kahl, Stuart R.; Glass, Gene V.; Smith, Mary Lee

A multi-institutional endeavor was initiated to integrate the findings of extant research studies directed toward the major science education research questions. The research questions were selected by a largely empirical process of identifiying the most frequently researched questions in the literature. These questions were assigned to various researchers who developed coding sheets and procedures with many features in common. This article describes the overall operation of the project, the research questions identified, and some rudiments of meta-analysis. The results of the several meta-analysis are reported in the other articles of this issue of the Journal. The final article in this issue deals with research topics for which data are drawn from one or more of the separate meta-analyses.

Molecular dynamics in aluminum layered double hydroxides as studied by 1H T1ρ NMR measurements

NASA Astrophysics Data System (ADS)

Vyalikh, Anastasia; Wang, De-Yi; Wagenknecht, Udo; Heinrich, Gert; Scheler, Ulrich

2011-06-01

Proton dynamics in pristine and organically-modified layered double hydroxide has been studied by 1H T1ρ. Inverse Laplace transform with spectral resolution results in a correlation of T1ρ and chemical shift. In LDH two contributions are resolved. They are assigned to the metal hydroxides, forming the LDH sheets (4-8 ms), and mobile interlayer water (2 ms). Apparent T1ρ values of OH-protons in surfactant-modified LDH are different in dodecylbenzenesulfonate- (SDBS) and sodium octasulfonate- (C8) modified LDH. This difference is explained by the presence of water in LDH-SDBS. The effects of spin diffusion have been studied by performing 2D 1H RFDR in the LDH-SDBS.

Oxidative Formation and Removal of Complexed Mn(III) by Pseudomonas Species

PubMed Central

Wright, Mitchell H.; Geszvain, Kati; Oldham, Véronique E.; Luther, George W.; Tebo, Bradley M.

2018-01-01

The observation of significant concentrations of soluble Mn(III) complexes in oxic, suboxic, and some anoxic waters has triggered a re-evaluation of the previous Mn paradigm which focused on the cycling between soluble Mn(II) and insoluble Mn(III,IV) species as operationally defined by filtration. Though Mn(II) oxidation in aquatic environments is primarily bacterially-mediated, little is known about the effect of Mn(III)-binding ligands on Mn(II) oxidation nor on the formation and removal of Mn(III). Pseudomonas putida GB-1 is one of the most extensively investigated of all Mn(II) oxidizing bacteria, encoding genes for three Mn oxidases (McoA, MnxG, and MopA). P. putida GB-1 and associated Mn oxidase mutants were tested alongside environmental isolates Pseudomonas hunanensis GSL-007 and Pseudomonas sp. GSL-010 for their ability to both directly oxidize weakly and strongly bound Mn(III), and to form these complexes through the oxidation of Mn(II). Using Mn(III)-citrate (weak complex) and Mn(III)-DFOB (strong complex), it was observed that P. putida GB-1, P. hunanensis GSL-007 and Pseudomonas sp. GSL-010 and mutants expressing only MnxG and McoA were able to directly oxidize both species at varying levels; however, no oxidation was detected in cultures of a P. putida mutant expressing only MopA. During cultivation in the presence of Mn(II) and citrate or DFOB, P. putida GB-1, P. hunanensis GSL-007 and Pseudomonas sp. GSL-010 formed Mn(III) complexes transiently as an intermediate before forming Mn(III/IV) oxides with the overall rates and extents of Mn(III,IV) oxide formation being greater for Mn(III)-citrate than for Mn(III)-DFOB. These data highlight the role of bacteria in the oxidative portion of the Mn cycle and suggest that the oxidation of strong Mn(III) complexes can occur through enzymatic mechanisms involving multicopper oxidases. The results support the observations from field studies and further emphasize the complexity of the geochemical cycling of manganese. PMID:29706936