[Epidemiological profile of rabies in the northwestern region of São Paulo State, from 1993 to 2007].

PubMed

Queiroz, Luzia Helena; de Carvalho, Cristiano; Buso, Daniel Sartori; Ferrari, Clara Isabel de Lucca; Pedro, Wagner André

2009-01-01

The epidemiology of animal rabies in the region of Araçatuba, in the northwest of São Paulo State, from 1993 to 2007, is described according to the results from diagnoses made at laboratories in the region, using the fluorescent antibody and mouse inoculation tests. Out of 10,579 samples analyzed, 4.9% were positive (518/10,579). Dogs accounted for 67% of the cases (346/518) and these occurred between 1993 and 1997. Among the other positive samples, 16% (84/518) were in cattle and 9.7% (50/518) were in bats. Among the 42 municipalities in the region, 23 (55%) presented at least one rabies-positive case, while 13 of them had cases in bats. Three distinct cycles of rabies were identified in the northwestern region of the State of São Paulo: the urban cycle characterized predominantly by canine rabies (1993 to 1997); and the aerial and rural cycles starting in 1998, with predominance of cases in bats in urban areas and in herbivores.

Adsorption of Selenium and Strontium on Goethite: EXAFS Study and Surface Complexation Modeling of the Ternary Systems.

PubMed

Nie, Zhe; Finck, Nicolas; Heberling, Frank; Pruessmann, Tim; Liu, Chunli; Lützenkirchen, Johannes

2017-04-04

Knowledge of the geochemical behavior of selenium and strontium is critical for the safe disposal of radioactive wastes. Goethite, as one of the most thermodynamically stable and commonly occurring natural iron oxy-hydroxides, promisingly retains these elements. This work comprehensively studies the adsorption of Se(IV) and Sr(II) on goethite. Starting from electrokinetic measurements, the binary and ternary adsorption systems are investigated and systematically compared via batch experiments, EXAFS analysis, and CD-MUSIC modeling. Se(IV) forms bidentate inner-sphere surface complexes, while Sr(II) is assumed to form outer-sphere complexes at low and intermediate pH and inner-sphere complexes at high pH. Instead of a direct interaction between Se(IV) and Sr(II), our results indicate an electrostatically driven mutual enhancement of adsorption. Adsorption of Sr(II) is promoted by an average factor of 5 within the typical groundwater pH range from 6 to 8 for the concentration range studied here. However, the interaction between Se(IV) and Sr(II) at the surface is two-sided, Se(IV) promotes Sr(II) outer-sphere adsorption, but competes for inner-sphere adsorption sites at high pH. The complexity of surfaces is highlighted by the inability of adsorption models to predict isoelectric points without additional constraints.

Synthetic Active Site Model of the [NiFeSe] Hydrogenase

PubMed Central

Wombwell, Claire; Reisner, Erwin

2015-01-01

A dinuclear synthetic model of the [NiFeSe] hydrogenase active site and a structural, spectroscopic and electrochemical analysis of this complex is reported. [NiFe(‘S2Se2’)(CO)3] (H2‘S2Se2’=1,2-bis(2-thiabutyl-3,3-dimethyl-4-selenol)benzene) has been synthesized by reacting the nickel selenolate complex [Ni(‘S2Se2’)] with [Fe(CO)3bda] (bda=benzylideneacetone). X-ray crystal structure analysis confirms that [NiFe(‘S2Se2’)(CO)3] mimics the key structural features of the enzyme active site, including a doubly bridged heterobimetallic nickel and iron center with a selenolate terminally coordinated to the nickel center. Comparison of [NiFe(‘S2Se2’)(CO)3] with the previously reported thiolate analogue [NiFe(‘S4’)(CO)3] (H2‘S4’=H2xbsms=1,2-bis(4-mercapto-3,3-dimethyl-2-thiabutyl)benzene) showed that the selenolate groups in [NiFe(‘S2Se2’)(CO)3] give lower carbonyl stretching frequencies in the IR spectrum. Electrochemical studies of [NiFe(‘S2Se2’)(CO)3] and [NiFe(‘S4’)(CO)3] demonstrated that both complexes do not operate as homogenous H2 evolution catalysts, but are precursors to a solid deposit on an electrode surface for H2 evolution catalysis in organic and aqueous solution. PMID:25847470

Structure family and polymorphous phase transition in the compounds with soft sublattice: Cu{sub 2}Se as an example

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

Qiu, Wujie; State Key Laboratory of High Performance Ceramics and Superfine Microstructure, Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050; Lu, Ping

Quite a few interesting but controversial phenomena, such as simple chemical composition but complex structures, well-defined high-temperature cubic structure but intriguing phase transition, coexist in Cu{sub 2}Se, originating from the relatively rigid Se framework and “soft” Cu sublattice. However, the electrical transport properties are almost uninfluenced by such complex substructures, which make Cu{sub 2}Se a promising high-performance thermoelectric compound with extremely low thermal conductivity and good power factor. Our work reveals that the crystal structure of Cu{sub 2}Se at the temperature below the phase-transition point (∼400 K) should have a group of candidate structures that all contain a Se-dominated face-centered-cubic-likemore » layered framework but nearly random site occupancy of atoms from the “soft” Cu sublattice. The energy differences among those structures are very low, implying the coexistence of various structures and thus an intrinsic structure complexity with a Se-based framework. Detailed analyses indicate that observed structures should be a random stacking of those representative structure units. The transition energy barriers between each two of those structures are estimated to be zero, leading to a polymorphous phase transition of Cu{sub 2}Se at increasing temperature. Those are all consistent with experimental observations.« less

Self-organized, highly luminescent CdSe nanorod-DNA complexes.

PubMed

Artemyev, Mikhail; Kisiel, Dmitry; Abmiotko, Sergey; Antipina, Maria N; Khomutov, Gennady B; Kislov, Vladimir V; Rakhnyanskaya, Anna A

2004-09-01

DNA molecules are useful building blocks and nanotemplates for controllable fabrication of various bioinorganic nanostructures due to their unique physical-chemical properties and recognition capabilities and the synthetic availability of desired nucleotide sequences and length. We have synthesized novel DNA complexes with positively charged, highly luminescent CdSe nanorods that can be self-organized into filamentary, netlike, or spheroidal nanostructures. DNA-CdSe-nanorod filaments possess strongly linearly polarized photoluminescence due to the unidirectional orientation of nanorods along the filaments. Copyright 2004 American Chemical Society

The nature of the interaction of dimethylselenide with IIIA group element compounds.

PubMed

Madzhidov, Timur I; Chmutova, Galina A

2013-05-16

The first systematic theoretical study of the nature of intermolecular bonding of dimethylselenide as donor and IIIA group element halides as acceptors was made with the help of the approach of Quantum Theory of Atoms in Molecules. Density Functional Theory with "old" Sapporo triple-ζ basis sets was used to calculate geometry, thermodynamics, and wave function of Me2Se···AX3 complexes. The analysis of the electron density distribution and the Laplacian of the electron density allowed us to reveal and explain the tendencies in the influence of the central atom (A = B, Al, Ga, In) and halogen (X = F, Cl, Br, I) on the nature of Se···A bonding. Significant changes in properties of the selenium lone pair upon complexation were described by means of the analysis of the Laplacian of the charge density. Charge transfer characteristics and the contributions to it from electron localization and delocalization were analyzed in terms of localization and delocalization indexes. Common features of the complexation and differences in the nature of bonding were revealed. Performed analysis evidenced that gallium and indium halide complexes can be attributed to charge transfer-driven complexes; aluminum halides complexes seem to be mainly of an electrostatic nature. The nature of bonding in different boron halides essentially varies; these complexes are stabilized mainly by covalent Se···B interaction. In all the complexes under study covalence of the Se···A interaction is rather high.

Adaptive Systems Engineering: A Medical Paradigm for Practicing Systems Engineering

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

R. Douglas Hamelin; Ron D. Klingler; Christopher Dieckmann

2011-06-01

From its inception in the defense and aerospace industries, SE has applied holistic, interdisciplinary tools and work-process to improve the design and management of 'large, complex engineering projects.' The traditional scope of engineering in general embraces the design, development, production, and operation of physical systems, and SE, as originally conceived, falls within that scope. While this 'traditional' view has expanded over the years to embrace wider, more holistic applications, much of the literature and training currently available is still directed almost entirely at addressing the large, complex, NASA and defense-sized systems wherein the 'ideal' practice of SE provides the cradle-to-gravemore » foundation for system development and deployment. Under such scenarios, systems engineers are viewed as an integral part of the system and project life-cycle from conception to decommissioning. In far less 'ideal' applications, SE principles are equally applicable to a growing number of complex systems and projects that need to be 'rescued' from overwhelming challenges that threaten imminent failure. The medical profession provides a unique analogy for this latter concept and offers a useful paradigm for tailoring our 'practice' of SE to address the unexpected dynamics of applying SE in the real world. In short, we can be much more effective as systems engineers as we change some of the paradigms under which we teach and 'practice' SE.« less

Cyclopalladation of dimesityl selenide: synthesis, reactivity, structural characterization, isolation of an intermediate complex with C-H···Pd intra-molecular interaction and computational studies.

PubMed

Kolay, Siddhartha; Wadawale, Amey; Das, Dasarathi; Kisan, Hemanta K; Sunoj, Raghavan B; Jain, Vimal K

2013-08-14

The reaction of dimesityl selenide (Mes2Se) with either PdCl2(PhCN)2 in toluene or PdCl2 in toluene-acetonitrile yields a chloro-bridged binuclear palladium complex, [Pd2Cl2(μ-Cl)2(Mes2Se)2] (1), whereas with Na2PdCl4 in refluxing ethanol, a cyclometallated palladium complex, [Pd2(μ-Cl)2{MesSeC6H2(Me2)CH2}2] (2) is afforded. 2 can also be obtained when 1 is refluxed in ethanol. On treatment with Pb(Epy)2 in dichloromethane, 2 afforded the Epy-bridged binuclear complexes, [Pd2(μ-Epy)2{MesSeC6H2(Me2)CH2}2] (3; E = S (3a) or Se (3b)). Treatment of 2 with PPh3 yields a bridge-cleaved monomeric complex, [PdCl{MesSeC6H2(Me2)CH2}(PPh3)]. The molecular structures of 1-3 were established by X-ray diffraction analyses. All the complexes are dimeric, with the palladium atoms acquiring a distorted square planar configuration. There are intra-molecular C-H···Pd interactions (d(M-H): 2.75 Å and

CdSe/AsS core-shell quantum dots: preparation and two-photon fluorescence.

PubMed

Wang, Junzhong; Lin, Ming; Yan, Yongli; Wang, Zhe; Ho, Paul C; Loh, Kian Ping

2009-08-19

Arsenic(II) sulfide (AsS)-coated CdSe core-shell nanocrystals can be prepared by a cluster-complex deposition approach under mild conditions. At 60 degrees C, growth of an AsS shell onto a CdSe nanocrystal can be realized through the crystallization of a cluster complex of AsS/butylamine in a mixed solvent of isopropanol/chloroform. The new, type I core-shell nanocrystal exhibits markedly enhanced one-photon fluorescence as well two-photon upconversion fluorescence. The nanocrystals can be used for infrared-excited upconversion cellular labeling.

Unifying Human Centered Design and Systems Engineering for Human Systems Integration

NASA Technical Reports Server (NTRS)

Boy, Guy A.; McGovernNarkevicius, Jennifer

2013-01-01

Despite the holistic approach of systems engineering (SE), systems still fail, and sometimes spectacularly. Requirements, solutions and the world constantly evolve and are very difficult to keep current. SE requires more flexibility and new approaches to SE have to be developed to include creativity as an integral part and where the functions of people and technology are appropriately allocated within our highly interconnected complex organizations. Instead of disregarding complexity because it is too difficult to handle, we should take advantage of it, discovering behavioral attractors and the emerging properties that it generates. Human-centered design (HCD) provides the creativity factor that SE lacks. It promotes modeling and simulation from the early stages of design and throughout the life cycle of a product. Unifying HCD and SE will shape appropriate human-systems integration (HSI) and produce successful systems.

A Measure of Systems Engineering Effectiveness in Government Acquisition of Complex Information Systems: A Bayesian Belief Network-Based Approach

ERIC Educational Resources Information Center

Doskey, Steven Craig

2014-01-01

This research presents an innovative means of gauging Systems Engineering effectiveness through a Systems Engineering Relative Effectiveness Index (SE REI) model. The SE REI model uses a Bayesian Belief Network to map causal relationships in government acquisitions of Complex Information Systems (CIS), enabling practitioners to identify and…

Chemometric analysis of voltammetric data on metal ion binding by selenocystine.

PubMed

Gusmão, Rui; Díaz-Cruz, José Manuel; Ariño, Cristina; Esteban, Miquel

2012-06-28

The behavior of selenocystine (SeCyst) alone or in the presence of various metal ions (Bi(3+), Cd(2+), Co(2+), Cu(2+), Cr(3+), Ni(2+), Pb(2+), and Zn(2+)) was studied using differential pulse voltammetry (DPV) over a wide pH range. Voltammetric data matrices were analyzed using chemometric tools recently developed for nonlinear data: pHfit and Gaussian Peak Adjustment (GPA). Under the experimental conditions tested, no evidence was found for the formation of metal complexes with Bi(3+), Cu(2+), Cr(3+), and Pb(2+). In contrast, SeCyst formed electroinactive complexes with Co(2+) and Ni(2+) and kinetically inert but electroactive complexes with Cd(2+) and Zn(2+). Titrations with Cd(2+), Co(2+), Ni(2+), and Zn(2+) produced data that were reasonably consistent with the formation of stable 1:1 M(SeCyst) complexes.

Synthetic Active Site Model of the [NiFeSe] Hydrogenase.

PubMed

Wombwell, Claire; Reisner, Erwin

2015-05-26

A dinuclear synthetic model of the [NiFeSe] hydrogenase active site and a structural, spectroscopic and electrochemical analysis of this complex is reported. [NiFe('S2Se2')(CO)3] (H2'S2Se2' = 1,2-bis(2-thiabutyl-3,3-dimethyl-4-selenol)benzene) has been synthesized by reacting the nickel selenolate complex [Ni('S2Se2')] with [Fe(CO)3bda] (bda = benzylideneacetone). X-ray crystal structure analysis confirms that [NiFe('S2Se2')(CO)3] mimics the key structural features of the enzyme active site, including a doubly bridged heterobimetallic nickel and iron center with a selenolate terminally coordinated to the nickel center. Comparison of [NiFe('S2Se2')(CO)3] with the previously reported thiolate analogue [NiFe('S4')(CO)3] (H2'S4' = H2xbsms = 1,2-bis(4-mercapto-3,3-dimethyl-2-thiabutyl)benzene) showed that the selenolate groups in [NiFe('S2Se2')(CO)3] give lower carbonyl stretching frequencies in the IR spectrum. Electrochemical studies of [NiFe('S2Se2')(CO)3] and [NiFe('S4')(CO)3] demonstrated that both complexes do not operate as homogenous H2 evolution catalysts, but are precursors to a solid deposit on an electrode surface for H2 evolution catalysis in organic and aqueous solution. © 2015 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.

Syntheses, structures and characterizations of three novel vanadium selenites with organically bonded copper/nickel complex

NASA Astrophysics Data System (ADS)

Qian, Cheng; Kong, Fang; Mao, Jiang-Gao

2016-06-01

A series of vanadium selenites covalently bonded with metal-organic complex, namely, Ni(2,2-bipy)2V2O4(SeO3)2 (1), Cu(2,2-bipy)V2O4(SeO3)2·0.5H2O (2) and Cu2(2,2-bipy)2V5O12(SeO3)2 (3) (2,2-bipy=2,2-bipyridine) have been hydrothermally synthesized and structurally characterized. They exhibit three different structural dimensions, from 0D cluster, 1D chain to 2D layer. Compound 1 features a 0D {Ni(2,2-bipy)2V2O4(SeO3)2}2 dimeric cluster composed of two {Ni(2,2-bipy)2}2+ moieties connected by the {V4O8(SeO3)4}4- cluster. Compound 2 shows a 1D {Cu(2,2-bipy)V2O4(SeO3)2}n chain in which the {Cu2(2,2-bipy)2}4+ moieties are bridged by the {V4O8(SeO3)4}4- clusters. Compound 3 displays a 2D structure consisted of mixed valence vanadium selenites layers {VIVVV4SeIV2O18}n4- and {Cu(2,2-bipy)}2+ complex moieties. The adjacent layers are further interconnected via π-π interactions between the 2,2-bipy ligands exhibiting an interesting 3D supramolecular architecture. Both compound 1 and 2 contain a new {V4O8(SeO3)4}4- cluster and compound 3 exhibits the first 2D vanadate polyhedral layer in vanadium selenites/tellurites with organic moieties.

The development of a vocabulary for PEEPS-SE-profiles of early expressive phonological skills for Swedish.

PubMed

Marklund, Ulrika; Lacerda, Francisco; Persson, Anna; Lohmander, Anette

2018-04-10

This paper describes the development of a vocabulary for Profiles of Early Expressive Phonological Skills for Swedish (PEEPS-SE), a tool for assessment of expressive phonology in Swedish-learning children in the age range of 18-36 months. PEEPS-SE is the Swedish version of the original PEEPS, Profiles of Early Expressive Phonological Skills, which uses two age-adequate word lists-a basic word list (BWL) for the assessment of 18-24-month-old children, to which an expanded word list (EWL) is added for assessment of 24-36-month-old children, or children with more than 250 words in their expressive vocabulary. The selection of words in PEEPS-SE is based on two types of criteria: age of acquisition and phonological complexity. The words also need to be easy to elicit in a natural way in test situations. Vocabulary data previously collected with the Swedish Early Communicative Development Inventory are used for selection of age-adequate words, where the BWL contains words acquired earlier compared to the additional words in the EWL. The latter also contains words that are more phonologically complex compared to those in the BWL. Word complexity was determined by the Swedish version of word complexity measure. PEEPS-SE has made an attempt to match the original version of PEEPS in terms of both assessment method and word selection.

Surgical Reconstruction of Lower Face Degloving.

PubMed

Faria, Paulo Esteves Pinto; de Souza Carvalho, Abrahão Cavalcante Gomes; Masalskas, Bárbara; Chihara, Letícia; Sant'Ana, Eduardo; Filho, Osvaldo Magro

2016-10-01

One of the most impressive soft tissue injuries is the facial degloving, normally associated with industrial machines and traffic accidents. This injury is characterized by the separation of the skin and cartilage from the bones, compromising the soft tissues correlated in the trauma area, nerves, and blood vessels. A 28-year-old patient, male, was referred to Araçatuba's Santa Casa Hospital, after a motorcycle accident, hitting his face on the sidewalk. The patient was conscious, oriented, denying fainting and unconsciousness during the accident, and complaining of pain in the nasal region of the face. The suture of wounds was performed using 5-0 absorbable sutures for muscle planes, and reconstruction of the septum and nasal cartilages. The skin was sutured with interrupted stitches using 6-0 nylon. After reducing the edema, a slight increase in alar base was observed. Subsequently, the alar base cinch suture was performed aiming to bring the alar bases to a measure of 34.0 mm in diameter. As a conclusion, the knowledge of the anatomy of the region involved, the healing of tissues, and suture techniques for the facial region process were critical to the successful treatment. The evaluation of the alar base in degloving cases can involve aesthetic features.

Inorganic selenium speciation analysis in Allium and Brassica vegetables by ionic liquid assisted liquid-liquid microextraction with multivariate optimization.

PubMed

Castro Grijalba, Alexander; Martinis, Estefanía M; Wuilloud, Rodolfo G

2017-03-15

A highly sensitive vortex assisted liquid-liquid microextraction (VA-LLME) method was developed for inorganic Se [Se(IV) and Se(VI)] speciation analysis in Allium and Brassica vegetables. Trihexyl(tetradecyl)phosphonium decanoate phosphonium ionic liquid (IL) was applied for the extraction of Se(IV)-ammonium pyrrolidine dithiocarbamate (APDC) complex followed by Se determination with electrothermal atomic absorption spectrometry. A complete optimization of the graphite furnace temperature program was developed for accurate determination of Se in the IL-enriched extracts and multivariate statistical optimization was performed to define the conditions for the highest extraction efficiency. Significant factors of IL-VA-LLME method were sample volume, extraction pH, extraction time and APDC concentration. High extraction efficiency (90%), a 100-fold preconcentration factor and a detection limit of 5.0ng/L were achieved. The high sensitivity obtained with preconcentration and the non-chromatographic separation of inorganic Se species in complex matrix samples such as garlic, onion, leek, broccoli and cauliflower, are the main advantages of IL-VA-LLME. Copyright © 2016 Elsevier Ltd. All rights reserved.

Ring Opening Polymerization and Copolymerization of Cyclic Esters Catalyzed by Group 2 Metal Complexes Supported by Functionalized P-N Ligands.

PubMed

Harinath, Adimulam; Bhattacharjee, Jayeeta; Sarkar, Alok; Nayek, Hari Pada; Panda, Tarun K

2018-03-05

We report the preparation of alkali and alkaline earth (Ae) metal complexes supported by 2-picolylamino-diphenylphosphane chalcogenide [(Ph 2 P(=E)NHCH 2 (C 5 H 4 N)] [E = S (1-H); Se (2-H)] ligands. The treatment of the protic ligand, 1-H or 2-H, with alkali metal hexamethyldisilazides at room temperature afforded the corresponding alkali metal salts [M(THF) 2 (Ph 2 P(=E)NCH 2 (C 5 H 4 N)] [M = Li, E = S (3a), Se (3b)] and [{M(THF) n (Ph 2 P(=E)NCH 2 (C 5 H 4 N)} 2 ] [M = Na, E = S (4a), Se (4b); M = K, E = Se (5b)] in good yield. The homoleptic Ae metal complexes [κ 2 -(Ph 2 P(=Se)NCH 2 (C 5 H 4 N)Mg(THF)] (6b) and [κ 3 -{(Ph 2 P(=Se)NCH 2 (C 5 H 4 N)} 2 M(THF) n ] (M = Ca (7b), Sr (8b), Ba (9b)] were synthesized by the one-pot reaction of 2-H with [KN(SiMe 3 ) 2 ] and MI 2 in a 2:2:1 molar ratio at room temperature. The molecular structures of the protic-ligands 1-H and 2-H, as well as complexes 3a,b-5a,b and 6b-9b were established using single-crystal X-ray analysis. The Ae metal complexes 6b-9b were tested for ring-opening polymerization (ROP) of racemic lactide ( rac-LA) and copolymerization of rac-LA and ε-caprolactone (ε-CL) at room temperature. In the ROP of rac-LA, the calcium complex 7b exhibited high isoselectivity, with P i = 0.89, whereas both the barium and strontium complexes showed lower isoselectivity with P i = 0.78-0.62. In the copolymerization of rac-LA and ε-CL, both barium and strontium complexes proved to be efficient precatalysts for the formation of the block copolymer rac-LA-CL, but the reactivity of 9b was found to be better than that of 8b. All the polymers were fully characterized using differential scanning calorimetry, thermogravimetric analysis, and gel permeation chromatography analyses. Kinetic studies on the ROP reaction of LA confirmed that the rate of polymerization followed the order Ba ≫ Sr ≈ Ca.

SE-72/AS-72 generator system based on Se extraction/ As reextraction

DOEpatents

Fassbender, Michael Ernst; Ballard, Beau D

2013-09-10

The preparation of a .sup.72Se/.sup.72As radioisotope generator involves forming an acidic aqueous solution of an irradiated alkali bromide target such as a NaBr target, oxidizing soluble bromide in the solution to elemental bromine, removing the elemental bromine, evaporating the resulting solution to a residue, removing hydrogen chloride from the residue, forming an acidic aqueous solution of the residue, adding a chelator that selectively forms a chelation complex with selenium, and extracting the chelation complex from the acidic aqueous solution into an organic phase. As the .sup.72Se generates .sup.72As in the organic phase, the .sup.72As may be extracted repeatedly from the organic phase with an aqueous acid solution.

Selenium adsorption to aluminum-based water treatment residuals

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

Ippolito, James A.; Scheckel, Kirk G.; Barbarick, Ken A.

2009-09-02

Aluminum-based water treatment residuals (WTR) can adsorb water- and soil-borne P, As(V), As(III), and perchlorate, and may be able to adsorb excess environmental selenium. WTR, clay minerals, and amorphous aluminum hydroxide were shaken for 24 h in selenate or selenite solutions at pH values of 5-9, and then analyzed for selenium content. Selenate and selenite adsorption edges were unaffected across the pH range studied. Selenate adsorbed on to WTR, reference mineral phases, and amorphous aluminum hydroxide occurred as outer sphere complexes (relatively loosely bound), while selenite adsorption was identified as inner-sphere complexation (relatively tightly bound). Selenite sorption to WTR inmore » an anoxic environment reduced Se(IV) to Se(0), and oxidation of Se(0) or Se(IV) appeared irreversible once sorbed to WTR. Al-based WTR could play a favorable role in sequestering excess Se in affected water sources.« less

Effects of Mineral Compositions on Matrix Diffusion and Sorption of 75Se(IV) in Granite.

PubMed

Yang, Xiaoyu; Ge, Xiangkun; He, Jiangang; Wang, Chunli; Qi, Liye; Wang, Xiangyun; Liu, Chunli

2018-02-06

Exploring the migration behaviors of selenium in granite is critical for the safe disposal of radioactive waste. The matrix diffusion and sorption of 75 Se(IV) (analogue for 79 Se) in granite were systematically studied to set reliable parameters in this work. Through-diffusion and batch sorption experiments were conduct with four types of Beishan granite. The magnitudes of the obtained apparent diffusion coefficient (D a ) values are of the following order: monzogranite > granodiorite-2 > granodiorite-1, which is opposite to the sequence of the K d values obtained from both the diffusion model and batch sorption experiments. The EPMA results of the granitic flakes showed that there was no obvious enrichment of Se(IV) on quartz, microcline and albite. Only biotite showed a weak affinity for Se(IV). Macroscopic sorption behaviors of Se(IV) on the four types of granite were identical with the sequence of the granitic biotite contents. Quantitative fitting results were also provided. XPS and XANES spectroscopy data revealed that bidentate inner-sphere complexes were formed between Se(IV) and Fe(III). Our results indicate that biotite can be representative of the Se(IV) sorption in complex mineral assemblages such as granite, and the biotite contents are critically important to evaluate Se(IV) transport in granite.

Derivatization of DNAs with Selenium at 6-Position of Guanine for Function and Crystal Structure Studies

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

Salon, J.; Jiang, J; Sheng, J

2008-01-01

To investigate nucleic acid base pairing and stacking via atom-specific mutagenesis and crystallography, we have synthesized for the first time the 6-Se-deoxyguanosine phosphoramidite and incorporated it into DNAs via solid-phase synthesis with a coupling yield over 97%. We found that the UV absorption of the Se-DNAs red-shifts over 100 nm to 360 nm ({Epsilon} = 2.3 x 10{sup 4} M{sup -1} cm{sup -1}), the Se-DNAs are yellow colored, and this Se modification is relatively stable in water and at elevated temperature. Moreover, we successfully crystallized a ternary complex of the Se-G-DNA, RNA and RNase H. The crystal structure determination andmore » analysis reveal that the overall structures of the native and Se-modified nucleic acid duplexes are very similar, the selenium atom participates in a Se-mediated hydrogen bond (Se H-N), and the {sup Se}G and C form a base pair similar to the natural G-C pair though the Se-modification causes the base-pair to shift (approximately 0.3 {angstrom}). Our biophysical and structural studies provide new insights into the nucleic acid flexibility, duplex recognition and stability. Furthermore, this novel selenium modification of nucleic acids can be used to investigate chemogenetics and structure of nucleic acids and their protein complexes.« less

Zone leveling and solution growth of complex compound semiconductors in space

NASA Technical Reports Server (NTRS)

Bachmann, K. J.

1986-01-01

A research program on complex semiconducting compounds and alloys was completed that addressed the growth of single crystals of CdSe(y)Te(1-y), Zn(x)Cd(1-x)Te, Mn(x)Cd(1-x)Te, InP(y)As(1-y) and CuInSe2 and the measurement of fundamental physico-chemical properties characterizing the above materials. The purpose of this ground based research program was to lay the foundations for further research concerning the growth of complex ternary compound semiconductors in a microgravity environment.

Mesozoic Crustal Thickening of the Longmenshan Belt (NE Tibet, China) by Imbrication of Basement Slices: Insights From Structural Analysis, Petrofabric and Magnetic Fabric Studies, and Gravity Modeling

NASA Astrophysics Data System (ADS)

Xue, Zhenhua; Martelet, Guillaume; Lin, Wei; Faure, Michel; Chen, Yan; Wei, Wei; Li, Shuangjian; Wang, Qingchen

2017-12-01

This work first presents field structural analysis, anisotropy of magnetic susceptibility (AMS) measurements, and kinematic and microstructural studies on the Neoproterozoic Pengguan complex located in the middle segment of the Longmenshan thrust belt (LMTB), NE Tibet. These investigations indicate that the Pengguan complex is a heterogeneous unit with a ductilely deformed NW domain and an undeformed SE domain, rather than a single homogeneous body as previously thought. The NW part of the Pengguan complex is constrained by top-to-the-NW shearing along its NW boundary and top-to-the-SE shearing along its SE boundary, where it imbricates and overrides the SE domain. Two orogen-perpendicular gravity models not only support the imbricated shape of the Pengguan complex but also reveal an imbrication of high-density material hidden below the Paleozoic rocks on the west of the LMTB. Regionally, this suggests a basement-slice-imbricated structure that developed along the margin of the Yangtze Block, as shown by the regional gravity anomaly map, together with the published nearby seismic profile and the distribution of orogen-parallel Neoproterozoic complexes. Integrating the previously published ages of the NW normal faulting and of the SE directed thrusting, the locally fast exhumation rate, and the lithological characteristics of the sediments in the LMTB front, we interpret the basement-slice-imbricated structure as the result of southeastward thrusting of the basement slices during the Late Jurassic-Early Cretaceous. This architecture makes a significant contribution to the crustal thickening of the LMTB during the Mesozoic, and therefore, the Cenozoic thickening of the Longmenshan belt might be less important than often suggested.

Investigation of trypsin-CdSe quantum dot interactions via spectroscopic methods and effects on enzymatic activity.

PubMed

Kaur, Gurvir; Tripathi, S K

2015-01-05

The paper presents the interactions between trypsin and water soluble cadmium selenide (CdSe) quantum dots investigated by spectrophotometric methods. CdSe quantum dots have strong ability to quench the intrinsic fluorescence of trypsin by a static quenching mechanism. The quenching has been studied at three different temperatures where the results revealed that electrostatic interactions exist between CdSe quantum dots and trypsin and are responsible to stabilize the complex. The Scatchard plot from quenching revealed 1 binding site for quantum dots by trypsin, the same has been confirmed by making isothermal titrations of quantum dots against trypsin. The distance between donor and acceptor for trypsin-CdSe quantum dot complexes is calculated to be 2.8 nm by energy transfer mechanisms. The intrinsic fluorescence of CdSe quantum dots has also been enhanced by the trypsin, and is linear for concentration of trypsin ranging 1-80 μl. All the observations evidence the formation of trypsin-CdSe quantum dot conjugates, where trypsin retains the enzymatic activity which in turn is temperature and pH dependent. Copyright © 2014 Elsevier B.V. All rights reserved.

Syntheses, crystal and band structures, and optical properties of a selenidoantimonate and an iron polyselenide

NASA Astrophysics Data System (ADS)

Liu, Guang-Ning; Zhu, Wen-Juan; Zhang, Ming-Jian; Xu, Bo; Liu, Qi-Sheng; Zhang, Zhen-Wei; Li, Cuncheng

2014-10-01

A new selenidoantimonate (CH3NH4)[Mn(phen)2](SbSe4)·phen (1, phen=1,10-phenanthroline) and an iron polyselenide [Fe(phen)2](Se4) (2) were obtained under hydro(solvo)thermal conditions. Compound 1 represents the first example of a selenidoantimonate anion as a ligand to a transition-metal π-conjugated ligand complex cation. Compound 2 containing a κ2Se1,Se4 chelating tetraselenide ligand, represents the only example of a tetraselenide ligand to a Fe complex cation. Compounds 1 and 2 exhibit optical gaps of 1.71 and 1.20 eV, respectively and their thermal stabilities have been investigated by thermogravimetric analyses. The electronic band structure along with the density of states calculated by the DFT method indicate that the optical absorptions mainly originate from the charge transitions from the Se 4p and Mn 3d states to the phen p-π* orbital for 1 and the Se 4p and Fe 3d states to the phen p-π* orbital for 2.

Chloroform molecules donate hydrogen bonds to S, Se, and Te acceptors: evidence from a published series of terminal chalcogenido complexes

NASA Astrophysics Data System (ADS)

Steiner, Thomas

1998-06-01

Structural data on three chalcogenido complexes published by M. C. Kuchta and G. Parkin, J. Chem. Soc., Chem. Commun. (1994) 1351, provide sound evidence that chloroform molecules can donate hydrogen bonds to S, Se and Te acceptors. This is the first documented example of CHżTe hydrogen bonding. The HżTe distance is only 2.67 Å.

Ultra-low thermal conductivity of TlIn5Se8 and structure of the new complex chalcogenide Tl0.98In13.12Se16.7Te2.3

NASA Astrophysics Data System (ADS)

Lefèvre, Robin; Berthebaud, David; Pérez, Olivier; Pelloquin, Denis; Boudin, Sophie; Gascoin, Franck

2017-06-01

TlIn5Se8 has been synthesized by means of solid-state reaction and densified by Spark Plasma Sintering. The compound is a semiconductor with a band gap of 1.62 eV estimated from reflectance measurements. Its thermal conductivity is about 0.45 W m-1. K-1 in the temperature range 300-673 K, an extremely low value attributed to its complex pseudo-1D structure reminiscent of the pseudo-hollandite. While attempting to dope TlIn5Se8 with Te, a new complex chalcogenide was discovered and characterized by the combination of TEM and XRD diffraction. It belongs to the A2In12X19 family, crystallizing in the R 3 ̅:H space group. Single crystal X-ray diffraction study led to a refined composition of Tl0.98In13.12Se16.7Te2.3 with cell parameters: a=13.839(5) Å and c=35.18(3) Å. A static disorder is found on one indium site situated in an octahedral environment. The single crystal XRD study is in agreement with TEM analyses in STEM-HAADF image mode that do not show any extended defects or disorder at atomic scale.

Synthesis, crystal structure and anticancer activity of tetrakis(N-isopropylimidazolidine-2-selenone)platinum(II) chloride

NASA Astrophysics Data System (ADS)

Ahmad, Saeed; Altoum, Ali Osman S.; Vančo, Ján; Křikavová, Radka; Trávníček, Zdeněk; Dvořák, Zdeněk; Altaf, Muhammad; Sohail, Manzar; Isab, Anvarhusein A.

2018-01-01

A Platinum(II) complex of N-isopropylimidazolidine-2-selenone (i-PrImSe), [Pt(i-PrImSe)4]Cl2 (1) was prepared and characterized by elemental analysis, IR and NMR (1H, 13C, 77Se &195Pt) spectroscopy, and X-ray crystallography. The structure of 1 consists of [Pt(i-PrImSe)4]2+ complex ion and chloride counter ions. The platinum(II) atom adopts a distorted square planar geometry. The in vitro antitumor activity of 1 as well as cisplatin, was evaluated by MTT assay against human; ovarian carcinoma A2780 and its cisplatin-resistant subline A2780R, prostate cancer 22Rv1 and breast cancer MCF-7 cell lines. The title complex displayed the activity against the A2780 cells (IC50 = 30.8 μM) at the level comparable to cisplatin (IC50 = 26.8 μM). The interaction studies with sulfur-containing biomolecules revealed its ability to form a variety of intermediates and oxidized species with L-cysteine and reduced glutathione.

Mercury speciation and selenium in toothed-whale muscles.

PubMed

Sakamoto, Mineshi; Itai, Takaaki; Yasutake, Akira; Iwasaki, Toshihide; Yasunaga, Genta; Fujise, Yoshihiro; Nakamura, Masaaki; Murata, Katsuyuki; Chan, Hing Man; Domingo, José L; Marumoto, Masumi

2015-11-01

Mercury accumulates at high levels in marine mammal tissues. However, its speciation is poorly understood. The main goal of this investigation was to establish the relationships among mercury species and selenium (Se) concentrations in toothed-whale muscles at different mercury levels. The concentrations of total mercury (T-Hg), methylmercury (MeHg), inorganic mercury (I-Hg) and Se were determined in the muscles of four toothed-whale species: bottlenose dolphins (n=31), Risso's dolphins (n=30), striped dolphins (n=29), and short-finned pilot whales (n=30). In each species, the MeHg concentration increased with increasing T-Hg concentration, tending to reach a plateau. In contrast, the proportion of MeHg in T-Hg decreased from 90-100% to 20-40%. The levels of T-Hg and Se showed strong positive correlations. Se/I-Hg molar ratios rapidly decreased with the increase of I-Hg and reached almost 1 in all species. These results suggested that the demethylated MeHg immediately formed Se/I-Hg equimolar complex of mercury selenide (HgSe) in their muscles. In addition, an X-ray absorption fine structure analysis (XAFS) of a bottlenose dolphin muscle confirmed that the dominant chemical form of the Se/I-Hg equimolar complex was HgSe. HgSe was mainly localized in cells near the endomysium using electron probe microanalysis (EPMA). These results suggested that the demethylated MeHg finally deposits within muscle cells of bottlenose dolphin as an inert HgSe. Copyright © 2015 Elsevier Inc. All rights reserved.

Role of chalcogen vapor annealing in inducing bulk superconductivity in Fe 1+yTe 1-xSe x [How does annealing in chalcogen vapor induce superconductivity in Fe 1+yTe -xSe x?

DOE PAGES

Lin, Wenzhi; Ganesh, P.; Gianfrancesco, Anthony; ...

2015-02-27

Recent investigations have shown that Fe 1+yTe 1-xSe x can be made superconducting by annealing it in Se and O vapors. The current lore is that these chalcogen vapors induce superconductivity by removing the magnetic excess Fe atoms. To investigate this phenomenon we performed a combination of magnetic susceptibility, specific heat and transport measurements together with scanning tunneling microscopy and spectroscopy and density functional theory calculations on Fe 1+yTe 1-xSe x treated with Te vapor. We conclude that the main role of the Te vapor is to quench the magnetic moments of the excess Fe atoms by forming FeTe mmore » (m ≥ 1) complexes. We show that the remaining FeTe m complexes are still damaging to the superconductivity and therefore that their removal potentially could further improve superconductive properties in these compounds.« less

Calculations of resonances parameters for the ((2s2) 1Se, (2s2p) 1,3P0) and ((3s2) 1Se, (3s3p) 1,3P0) doubly excited states of helium-like ions with Z≤10 using a complex rotation method implemented in Scilab

NASA Astrophysics Data System (ADS)

Gning, Youssou; Sow, Malick; Traoré, Alassane; Dieng, Matabara; Diakhate, Babacar; Biaye, Mamadi; Wagué, Ahmadou

2015-01-01

In the present work a special computational program Scilab (Scientific Laboratory) in the complex rotation method has been used to calculate resonance parameters of ((2s2) 1Se, (2s2p) 1,3P0) and ((3s2) 1Se, (3s3p) 1,3P0) states of helium-like ions with Z≤10. The purpose of this study required a mathematical development of the Hamiltonian applied to Hylleraas wave function for intrashell states, leading to analytical expressions which are carried out under Scilab computational program. Results are in compliance with recent theoretical calculations.

Morphological and molecular identification of cryptic species in the Sergentomyia bailyi (Sinton, 1931) complex in Sri Lanka.

PubMed

Tharmatha, T; Gajapathy, K; Ramasamy, R; Surendran, S N

2017-02-01

The correct identification of sand fly vectors of leishmaniasis is important for controlling the disease. Genetic, particularly DNA sequence data, has lately become an important adjunct to the use of morphological criteria for this purpose. A recent DNA sequencing study revealed the presence of two cryptic species in the Sergentomyia bailyi species complex in India. The present study was undertaken to ascertain the presence of cryptic species in the Se. bailyi complex in Sri Lanka using morphological characteristics and DNA sequences from cytochrome c oxidase subunits. Sand flies were collected from leishmaniasis endemic and non-endemic dry zone districts of Sri Lanka. A total of 175 Se. bailyi specimens were initially screened for morphological variations and the identified samples formed two groups, tentatively termed as Se. bailyi species A and B, based on the relative length of the sensilla chaeticum and antennal flagellomere. DNA sequences from the mitochondrial cytochrome c oxidase subunit I (COI) and subunit II (COII) genes of morphologically identified Se. bailyi species A and B were subsequently analyzed. The two species showed differences in the COI and COII gene sequences and were placed in two separate clades by phylogenetic analysis. An allele specific polymerase chain reaction assay based on sequence variation in the COI gene accurately differentiated species A and B. The study therefore describes the first morphological and genetic evidence for the presence of two cryptic species within the Se. bailyi complex in Sri Lanka and a DNA-based laboratory technique for differentiating them.

Selective Se-for-S substitution in Cs-bearing uranyl compounds

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

Gurzhiy, Vladislav V., E-mail: vladgeo17@mail.ru; Tyumentseva, Olga S.; Krivovichev, Sergey V.

Phase formation in the mixed sulfate-selenate aqueous system of uranyl nitrate and cesium nitrate has been investigated. Two types of crystalline compounds have been obtained and characterized using a number of experimental (single crystal XRD, FTIR, SEM) and theoretical (information-based complexity calculations, topological analysis) techniques. No miscibility gaps have been observed for Cs{sub 2}[(UO{sub 2}){sub 2}(TO{sub 4}){sub 3}] (T= S, Se), which crystallizes in tetragonal system, P-42{sub 1}m, a =9.616(1)–9.856(2), c =8.105(1)–8.159(1) Å, V =749.6(2)–792.5(3) Å{sup 3}. Nine phases with variable amount of S and Se have been structurally characterized. The structures of the Cs{sub 2}[(UO{sub 2}){sub 2}(TO{sub 4}){sub 3}]more » (T= S, Se) compounds are based upon the [(UO{sub 2}){sub 2}(TO{sub 4}){sub 3}]{sup 2-} layers of corner-sharing uranyl pentagonal bipyramids and TO{sub 4} tetrahedra. The layers contain two types of tetrahedral sites: T1 (3-connected, i.e. having three O atoms shared by adjacent uranyl polyhedra) and T2 (4-connected). The Se-for-S substitution in tetrahedral sites is highly selective with smaller S{sup 6+} cation showing a strong preference for the more tightly bonded T2 site. Crystallization in the pure Se system starts with the formation of Cs{sub 2}[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)](H{sub 2}O) crystals, its subsequent dissolution and formation of Cs{sub 2}[(UO{sub 2}){sub 2}(SeO{sub 4}){sub 3}]. The information-based structural complexity calculations for these two phases support the rule that more topologically complex structures form at the latest stages of crystallization. - Graphical abstract: Nine phases representing the Cs{sub 2}[(UO{sub 2}){sub 2}(TO{sub 4}){sub 3}] (T= S, Se) solid solution series with variable amount of S and Se have been prepared by isothermal evaporation from aqueous solutions and characterized using a number of experimental and theoretical techniques. No immiscibility is observed between the pure sulfate and selenate compounds. The Se-for-S substitution in tetrahedral sites is highly selective with smaller S{sup 6+} cation showing a strong preference for the more tightly bonded 4-connected site. - Highlights: • Single crystals of novel mixed sulfate-selenate uranyl oxysalts were prepared by evaporation method. • Topological analysis and information-based complexity calculations were used for structure description. • The selective Se-for-S substitution was observed. • Evolution of phase formation in the aqueous Cs{sup +}–UO{sub 2}{sup 2+}–SO{sub 4}{sup 2–}–SeO{sub 4}{sup 2–} system was analyzed.« less

Syntheses, structures and characterizations of three novel vanadium selenites with organically bonded copper/nickel complex

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

Qian, Cheng; State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou 350002; Kong, Fang

2016-06-15

A series of vanadium selenites covalently bonded with metal-organic complex, namely, Ni(2,2-bipy){sub 2}V{sub 2}O{sub 4}(SeO{sub 3}){sub 2} (1), Cu(2,2-bipy)V{sub 2}O{sub 4}(SeO{sub 3}){sub 2}·0.5H{sub 2}O (2) and Cu{sub 2}(2,2-bipy){sub 2}V{sub 5}O{sub 12}(SeO{sub 3}){sub 2} (3) (2,2-bipy=2,2-bipyridine) have been hydrothermally synthesized and structurally characterized. They exhibit three different structural dimensions, from 0D cluster, 1D chain to 2D layer. Compound 1 features a 0D {Ni(2,2-bipy)_2V_2O_4(SeO_3)_2}{sub 2} dimeric cluster composed of two {Ni(2,2-bipy)_2}{sup 2+} moieties connected by the {V_4O_8(SeO_3)_4}{sup 4-} cluster. Compound 2 shows a 1D {Cu(2,2-bipy)V_2O_4(SeO_3)_2}{sub n} chain in which the {Cu_2(2,2-bipy)_2}{sup 4+} moieties are bridged by the {V_4O_8(SeO_3)_4}{sup 4−} clusters. Compound 3more » displays a 2D structure consisted of mixed valence vanadium selenites layers {V"I"VV"V_4Se"I"V_2O_1_8}{sub n}{sup 4−} and {Cu(2,2-bipy)}{sup 2+} complex moieties. The adjacent layers are further interconnected via π-π interactions between the 2,2-bipy ligands exhibiting an interesting 3D supramolecular architecture. Both compound 1 and 2 contain a new {V_4O_8(SeO_3)_4}{sup 4−} cluster and compound 3 exhibits the first 2D vanadate polyhedral layer in vanadium selenites/tellurites with organic moieties. - Graphical abstract: We got three new vanadium selenites with organically linked copper/nickel complex, namely, Ni(2,2-bipy){sub 2}V{sub 2}O{sub 4}(SeO{sub 3}){sub 2} (1), Cu(2,2-bipy)V{sub 2}O{sub 4}(SeO{sub 3}){sub 2}·0.5H{sub 2}O (2) and Cu{sub 2}(2,2-bipy){sub 2}V{sub 5}O{sub 12}(SeO{sub 3}){sub 2} (3) by hydrothermally syntheses. They display three different structural dimensions, from 0D cluster, to 1D chain and 2D layer. Display Omitted - Highlights: • Three new compounds display three different structural dimensions, from 0D cluster, to 1D chain and 2D layer. • The Tetranuclear {V_4O_8(SeO_3)_4}{sup 4−} cluster and the vanadate {V_5O_1_7}{sub n} 2D layer are observed firstly. • Optical Properties and Magnetic Properties of three compounds are reported.« less

Mechanism of action of additives in chemical vapor generation of hydrogen selenide: Iodide and thiocyanate

NASA Astrophysics Data System (ADS)

Pitzalis, Emanuela; Onor, Massimo; Spiniello, Roberto; Braz, Carlos Eduardo Mendes; D'Ulivo, Alessandro

2018-07-01

The chemical vapor generation of H2Se has been investigated in the presence and in the absence of either NaI or NaSCN as additives (0.5 mol L-1), in HClO4 media (0.1-5.0 mol L-1) and using a low concentration of NaBH4 (0.02 mol L-1). The enhancement of generation efficiency of H2Se produced by iodide and thiocyanate was measured by a continuous flow reaction system coupled with a miniature argon‑hydrogen diffusion flame and atomic absorption detection. The chemifold of the continuous flow reactor was designed in order to change the mixing sequence and the interaction time of the reagents. By this way it has been possible to evaluate the contribution of additive‑selenium and additive-borane species to the mechanism producing the increase of generation efficiency of H2Se. Both the iodide complexes of selenium and borane contribute to enhance generation efficiency of H2Se, whereas the thiocyanate complexes of selenium rather than thiocyanate-borane complexes play a major role in the enhancement of the efficiency. At elevated acidities (2 < [H+] < 5 mol L-1), only thiocyanate continues to maintain its properties to increase H2Se generation efficiency while iodide causes a marked signal depression unless its addition is performed after the starting of SeIV- [BH4-] reaction with an appropriate time delay. Both iodide and thiocyanate caused marked depression of H2Se generation when NaBH4 was replaced by the amine boranes, NH3-BH3 and tert-ButylNH2-BH3.

Immunomodulatory of selenium nano-particles decorated by sulfated Ganoderma lucidum polysaccharides.

PubMed

Wang, Jianguo; Zhang, Yifeng; Yuan, Yahong; Yue, Tianli

2014-06-01

In this study, we employed a one-step method to prepare selenium nanoparticles (SeNPs) decorated by the water-soluble derivative of Ganoderma lucidum polysaccharides (SPS). The SeNPs-SPS complexes were stable, and the diameter of the SeNPs was homogeneous at around 25 nm. We investigated the anti-inflammatory activity of SeNPs-SPS against murine Raw 264.7 macrophage cells induced by LPS. SeNPs-SPS were found to significantly inhibit LPS-stimulated nitric oxide (NO) production against Raw 264.7 macrophages. RT-PCR results reveal the down-regulation of mRNA gene expressions for pro-inflammatory cytokines, including inducible NO synthase (iNOS), interleukin (IL)-1 and TNF-α in a dose-dependent manner. However, the anti-inflammation cytokine IL-10 was markedly increased. In the NF-κB signal pathway, SeNPs-SPS significantly inhibited the phosphorylation of Iκ-Bα. Similar results were observed for inhibition of the phosphorylation of JNK1/2 and p38 mitogen-activated protein kinase(MAPKs), whereas ERK1/2 MAPK was not apparently affected by SeNPs-SPS. All of these results suggest that SeNPs-SPS complexes have anti-inflammatory potential modulating pro-/anti-inflammation cytokine secretion profiles, and that the mechanism is partially due to inhibition of activations of NF-κB, JNK1/2 and p38 MAPKs. Copyright © 2014 Elsevier Ltd. All rights reserved.

Selenophene transition metal complexes

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

White, Carter James

1994-07-27

This research shows that selenophene transition metal complexes have a chemistry that is similar to their thiophene analogs. Selenophene coordination has been demonstrated and confirmed by molecular structure in both the η 5- and the η 1(Se)-coordination modes. The reaction chemistry of selenophene complexes closely resembles that of the analogous thiophene complexes. One major difference, however, is that selenophene is a better donor ligand than thiophene making the selenophene complexes more stable than the corresponding thiophene complexes. The 77Se NMR chemical shift values for selenophene complexes fall within distinct regions primarily depending on the coordination mode of the selenophene ligand.more » In the final paper, the C-H bond activation of η 1(S)-bound thiophenes, η 1(S)-benzothiophene and η 1(Se)-bound selenophenes has been demonstrated. The deprotonation and rearrangement of the η 1(E)-bound ligand to the carbon bound L-yl complex readily occurs in the presence of base. Reprotonation with a strong acid gives a carbene complex that is unreactive towards nucleophilic attack at the carbene carbon and is stable towards exposure to air. The molecular structure of [Cp(NO)(PPh 3)Re(2-benzothioenylcarbene)]O 3SCF 3 was determined and contains a Re-C bond with substantial double bond character. Methyl substitution for the thienylcarbene or selenylcarbene gives a carbene that rearranges thermally to give back the η 1(E)-bound complex. Based on these model reactions, a new mechanism for the H/D exchange of thiophene over the hydrodesulfurization catalyst has been proposed.« less

Complexity analysis of the turbulent environmental fluid flow time series

NASA Astrophysics Data System (ADS)

Mihailović, D. T.; Nikolić-Đorić, E.; Drešković, N.; Mimić, G.

2014-02-01

We have used the Kolmogorov complexities, sample and permutation entropies to quantify the randomness degree in river flow time series of two mountain rivers in Bosnia and Herzegovina, representing the turbulent environmental fluid, for the period 1926-1990. In particular, we have examined the monthly river flow time series from two rivers (the Miljacka and the Bosnia) in the mountain part of their flow and then calculated the Kolmogorov complexity (KL) based on the Lempel-Ziv Algorithm (LZA) (lower-KLL and upper-KLU), sample entropy (SE) and permutation entropy (PE) values for each time series. The results indicate that the KLL, KLU, SE and PE values in two rivers are close to each other regardless of the amplitude differences in their monthly flow rates. We have illustrated the changes in mountain river flow complexity by experiments using (i) the data set for the Bosnia River and (ii) anticipated human activities and projected climate changes. We have explored the sensitivity of considered measures in dependence on the length of time series. In addition, we have divided the period 1926-1990 into three subintervals: (a) 1926-1945, (b) 1946-1965, (c) 1966-1990, and calculated the KLL, KLU, SE, PE values for the various time series in these subintervals. It is found that during the period 1946-1965, there is a decrease in their complexities, and corresponding changes in the SE and PE, in comparison to the period 1926-1990. This complexity loss may be primarily attributed to (i) human interventions, after the Second World War, on these two rivers because of their use for water consumption and (ii) climate change in recent times.

Mercury speciation and selenium in toothed-whale muscles

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

Sakamoto, Mineshi, E-mail: sakamoto@nimd.go.jp; Itai, Takaaki; Yasutake, Akira

2015-11-15

Mercury accumulates at high levels in marine mammal tissues. However, its speciation is poorly understood. The main goal of this investigation was to establish the relationships among mercury species and selenium (Se) concentrations in toothed-whale muscles at different mercury levels. The concentrations of total mercury (T-Hg), methylmercury (MeHg), inorganic mercury (I-Hg) and Se were determined in the muscles of four toothed-whale species: bottlenose dolphins (n=31), Risso's dolphins (n=30), striped dolphins (n=29), and short-finned pilot whales (n=30). In each species, the MeHg concentration increased with increasing T-Hg concentration, tending to reach a plateau. In contrast, the proportion of MeHg in T-Hgmore » decreased from 90–100% to 20–40%. The levels of T-Hg and Se showed strong positive correlations. Se/I-Hg molar ratios rapidly decreased with the increase of I-Hg and reached almost 1 in all species. These results suggested that the demethylated MeHg immediately formed Se/I-Hg equimolar complex of mercury selenide (HgSe) in their muscles. In addition, an X-ray absorption fine structure analysis (XAFS) of a bottlenose dolphin muscle confirmed that the dominant chemical form of the Se/I-Hg equimolar complex was HgSe. HgSe was mainly localized in cells near the endomysium using electron probe microanalysis (EPMA). These results suggested that the demethylated MeHg finally deposits within muscle cells of bottlenose dolphin as an inert HgSe. - Highlights: • T-Hg, MeHg, I-Hg and Se were determined in the muscles of four toothed-whales. • MeHg increased with increasing T-Hg and tended to reach a plateau in all species. • Se/I-Hg molar ratios rapidly decreased with increase of I-Hg and reached almost 1. • XAFS of bottlenose dolphin muscle confirmed that HgSe was dominant chemical form. • EPMA of bottlenose dolphin muscle showed that HgSe deposited in muscle cells.« less

Validation of a new technique to detect Cryptosporidium spp. oocysts in bovine feces.

PubMed

Inácio, Sandra Valéria; Gomes, Jancarlo Ferreira; Oliveira, Bruno César Miranda; Falcão, Alexandre Xavier; Suzuki, Celso Tetsuo Nagase; Dos Santos, Bianca Martins; de Aquino, Monally Conceição Costa; de Paula Ribeiro, Rafaela Silva; de Assunção, Danilla Mendes; Casemiro, Pamella Almeida Freire; Meireles, Marcelo Vasconcelos; Bresciani, Katia Denise Saraiva

2016-11-01

Due to its important zoonotic potential, cryptosporidiosis arouses strong interest in the scientific community, because, it was initially considered a rare and opportunistic disease. The parasitological diagnosis of the causative agent of this disease, the protozoan Cryptosporidium spp., requires the use of specific techniques of concentration and permanent staining, which are laborious and costly, and are difficult to use in routine laboratory tests. In view of the above, we conducted the feasibility, development, evaluation and intralaboratory validation of a new parasitological technique for analysis in optical microscopy of Cryptosporidium spp. oocysts, called TF-Test Coccidia, using fecal samples from calves from the city of Araçatuba, São Paulo. To confirm the aforementioned parasite and prove the diagnostic efficiency of the new technique, we used two established methodologies in the scientific literature: parasite concentration by centrifugal sedimentation and negative staining with malachite green (CSN-Malachite) and Nested-PCR. We observed good effectiveness of the TF-Test Coccidia technique, being statistically equivalent to CSN-Malachite. Thus, we verified the effectiveness of the TF-Test Coccidia parasitological technique for the detection of Cryptosporidium spp. oocysts and observed good concentration and morphology of the parasite, with a low amount of debris in the fecal smear. Copyright © 2016 Elsevier B.V. All rights reserved.

Preparation and Characterization of Cu-Ga-Se Thin Films Synthesized by Electrodeposition: Effect of Complexing Agent and Supporting Electrolyte

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

Turner, John A; Deutsch, Todd G; Fernandez, A. M.

CuGaSe2 (CGS) is a semiconductor that has potential use as a photo electrode for solar water splitting. Its wide band gap and high absorption coefficient make it an ideal candidate for the top absorber in tandem structures. CGS can be synthesized by several techniques, being electrodeposition the most advantageous from a technical standpoint. Many reports show that electrodeposition of these films for producing the desired precursor atomic composition can be aided by using a complexing agent. However, the use of supporting electrolyte and the type of the electrolyte to improve the atomic composition in the films has never been reported.more » Using cyclic voltammetry, with complexing agents and deposition potentials between -0.5 and -0.9 V vs. Ag/AgCl reference electrode atomic ratios close to the ideal values ([Cu]/[Ga] = 1 and [Se]/[Cu + Ga] = 1), based on atomic composition and morphology analysis are reported in this work. From the X-ray diffraction (XRD), the as-deposited films exhibit poor crystallinity; however, the XRD patterns evidence the formation CuGaSe2 after annealing of the samples.« less

Biological activity of selenium: Revisited.

PubMed

Wrobel, Jagoda K; Power, Ronan; Toborek, Michal

2016-02-01

Selenium (Se) is an essential micronutrient that exerts multiple and complex effects on human health. Se is essential for human well-being largely due to its potent antioxidant, anti-inflammatory, and antiviral properties. The physiological functions of Se are carried out by selenoproteins, in which Se is specifically incorporated as the amino acid, selenocysteine. Importantly, both beneficial and toxic effects of Se have been reported suggesting that the mode of action of Se is strictly chemical form and concentration dependent. Additionally, there is a relatively narrow window between Se deficiency and toxicity and growing evidence suggests that Se health effects depend greatly on the baseline level of this micronutrient. Thus, Se supplementation is not an easy task and requires an individualized approach. It is essential that we continue to explore and better characterize Se containing compounds and mechanisms of action, which could be crucial for disease prevention and treatment. © 2015 International Union of Biochemistry and Molecular Biology.

Solvothermal syntheses, and characterization of [Ln(en){sub 4}(SbSe{sub 4})] (Ln=Ce, Pr) and [Ln(en){sub 4}]SbSe{sub 4}.0.5en (Ln=Eu, Gd, Er, Tm, Yb): The effect of lanthanide contraction on the crystal structures of lanthanide selenidoantimonates(V)

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

Jia Dingxian; Zhu Aimei; Jin Qinyan

Two types of lanthanide selenidoantimonates [Ln(en){sub 4}(SbSe{sub 4})] (Ln=Ce(1a), Pr(1b)) and [Ln(en){sub 4}]SbSe{sub 4}.0.5en (Ln=Eu(2a), Gd(2b), Er(2c), Tm(2d), Yb(2e); en=ethylenediamine) were solvothermally synthesized by reactions of LnCl{sub 3}, Sb and Se with the stoichiometric ratio in en solvent at 140 deg. C. The four-en coordinated lanthanide complex cation [Ln(en){sub 4}]{sup 3+} formed in situ balances the charge of SbSe{sub 4}{sup 3-} anion. In compounds 1a and 1b, the SbSe{sub 4}{sup 3-} anion act as a monodentate ligand to coordinate complex [Ln(en){sub 4}]{sup 3+} and the neutral compound [Ln(en){sub 4}(SbSe{sub 4})] is formed. The Ln{sup 3+} ion has a nine-coordinated environmentmore » involving eight N atoms and one Se atom forming a distorted monocapped square antiprism. In 2a-2e the lanthanide(III) ion exists as isolated complex [Ln(en){sub 4}]{sup 3+}, in which the Ln{sup 3+} ion is in a bicapped trigonal prism geometry. A systematic investigation of the crystal structures reveals that two types of structural features of these lanthanide selenidoantimonates are related with lanthanides contraction across the lanthanide series. TG curves show that compounds 1a-1b and 2a-2e remove their organic components in one and two steps, respectively. - Graphical abstract: Two types of lanthanide selenidoantimonates [Ln(en){sub 4}(SbSe{sub 4})] (Ln=Ce, Pr) and [Ln(en){sub 4}]SbSe{sub 4}.0.5en (Ln=Eu, Gd, Er, Tm, Yb; en=ethylenediamine) have been synthesized under the mild solvothermal conditions, and a systematic investigation of the crystal structures reveals that two types of structural features of these lanthanide selenidoantimonates are related with lanthanides contraction across the lanthanide series.« less

Li 2Se as a Neutron Scintillator

DOE PAGES

Du, Mao-Hua; Shi, Hongliang; Singh, David J.

2015-06-23

We show that Li 2Se:Te is a potential neutron scintillator material based on density functional calculations. Li 2Se exhibits a number of properties favorable for efficient neutron detection, such as a high Li concentration for neutron absorption, a small effective atomic mass and a low density for reduced sensitivity to background gamma rays, and a small band gap for a high light yield. Our calculations show that Te doping should lead to the formation of deep acceptor complex V Li-Te Se, which can facilitate efficient light emission, similar to the emission activation in Te doped ZnSe.

Dehydration-driven evolution of topological complexity in ethylamonium uranyl selenates

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

Gurzhiy, Vladislav V., E-mail: vladgeo17@mail.ru; Krivovichev, Sergey V.; Tananaev, Ivan G.

Single crystals of four novel uranyl selenate and selenite-selenate oxysalts with protonated ethylamine molecules, (C{sub 2}H{sub 8}N){sub 2}[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)](H{sub 2}O) (I), (C{sub 2}H{sub 8}N){sub 3}[(UO{sub 2})(SeO{sub 4}){sub 2}(HSeO{sub 4})] (II), (C{sub 2}H{sub 8}N)[(UO{sub 2})(SeO{sub 4})(HSeO{sub 3})] (III), and (C{sub 2}H{sub 8}N)(H{sub 3}O)[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)] (IV) have been prepared by isothermal evaporation from aqueous solutions. Uranyl-containing 1D and 2D units have been investigated using topological approach and information-based complexity measurements that demonstrate the evolution of structural units and the increase of topological complexity with the decrease of H{sub 2}O content. - Graphical abstract: Single crystals ofmore » four novel uranyl selenate and selenite-selenate oxysalts with protonated ethylamine molecules have been prepared by isothermal evaporation from aqueous solutions. Structural analysis and information-based topological complexity calculations points to the possible sequence of crystalline phases formation, showing both topological and structural branches of evolution. - Highlights: • Single crystals of four novel uranyl oxysalts were prepared by evaporation method. • The graph theory was used for investigation of topologies of structural units. • Dehydration processes drives the evolution of topological complexity of 1D and 2D structural units.« less

A Series of Lanthanide Selenidogermanates: The First Coexistence of Three Types of Selenidogermanate Units in the Same Architecture.

PubMed

Tang, Shimei; Zhou, Jian; Zou, Hua-Hong; Liu, Xing; Zhang, Li

2018-02-05

A series of lanthanide selenidogermanates, (H 2 peha)[Ln 2 (μ-OH) 2 (tepa) 2 Cl 2 ]{[Ln 2 (μ-OH) 2 (tepa) 2 Cl] 2 (μ-Ge 2 Se 6 )}[Ge 2 Se 6 ]Cl 2 [Ln = Y (1a) and Er (1b); peha = pentaethylenexamine, tepa = tetraethylenepentamine], [Sm 2 (μ-OH) 2 (tepa) 2 (μ-Ge 2 Se 6 )] n (2), [Ho 2 (μ-OH) 2 (tepa) 2 (μ-Ge 2 Se 6 )] n (3), and [Ce 4 (tepa) 4 (μ-GeSe 4 )(μ-GeSe 5 )(μ-Ge 2 Se 6 )] n (4), were made under solvothermal conditions. Compounds 1a and 1b contain a protonated H 2 peha 2+ ion, the complex cation [Ln 2 (μ-OH) 2 (tepa) 2 Cl 2 ] 2+ , a [Ge 2 Se 6 ] 4- anion, free Cl - ions, and a {[Ln 2 (μ-OH) 2 (tepa) 2 Cl] 2 (μ-Ge 2 Se 6 )} 2+ cation constructed by two unsaturated [Ln 2 (μ-OH) 2 (tepa) 2 Cl] 3+ groups connecting via the trans terminal Se atoms of the [Ge 2 Se 6 ] 4- anion, which provides the first example of an organic decorated lanthanide selenidogermanate cation. Both compounds 2 and 3 contain one-dimensional chains [Ln 2 (μ-OH) 2 (tepa) 2 (μ-Ge 2 Se 6 )] n constructed by a combination of unsaturated complex cations [Ln 2 (μ-OH) 2 (tepa) 2 ] 4+ and [Ge 2 Se 6 ] 4- anions, but their stacking patterns of neutral chains are different. Compound 4 contains one-dimensional chain [Ce 4 (tepa) 4 (μ-GeSe 4 )(μ-GeSe 5 )(μ-Ge 2 Se 6 )] n , where three different selenidogermanate units acting as bridging ligands connect unsaturated [Ce(tepa)] 3+ ions. Compound 4 represents the first example of the coexistence of three different selenidogermanate anions in the same architecture. Their optical properties are studied, and the magnetic properties of compounds 1b and 2-4 are also investigated.

Effect of lanthanide contraction on the mixed polyamine systems Ln/Sb/Se/(en+dien) and Ln/Sb/Se/(en+trien): Syntheses and characterizations of lanthanide complexes with a tetraelenidoantimonate ligand

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

Zhao Jing; Liang Jingjing; Pan Yingli

Mixed polyamine systems Ln/Sb/Se/(en+dien) and Ln/Sb/Se/(en+trien) (Ln=lanthanide, en=ethylenediamine, dien=diethylenetriamine, trien=triethylenetetramine) were investigated under solvothermal conditions, and novel mixed-coordinated lanthanide(III) complexes [Ln(en){sub 2}(dien)({eta}{sup 2}-SbSe{sub 4})] (Ln=Ce(1a), Nd(1b)), [Ln(en){sub 2}(dien)(SbSe{sub 4})] (Ln=Sm(2a), Gd(2b), Dy(2c)), [Ln(en)(trien)({mu}-{eta}{sup 1},{eta}{sup 2}-SbSe{sub 4})]{sub {infinity}} (Ln=Ce(3a), Nd(3b)) and [Sm(en)(trien)({eta}{sup 2}-SbSe{sub 4})] (4a) were prepared. Two structural types of lanthanide selenidoantimonates were obtained across the lanthanide series in both en+dien and en+trien systems. The tetrahedral anion [SbSe{sub 4}]{sup 3-} acts as a monodentate ligand mono-SbSe{sub 4}, a bidentate chelating ligand {eta}{sup 2}-SbSe{sub 4} or a tridentate bridging ligand {mu}-{eta}{sup 1},{eta}{sup 2}-SbSe{sub 4} to the lanthanide(III) center depending on themore » Ln{sup 3+} ions and the mixed ethylene polyamines, indicating the effect of lanthanide contraction on the structures of the lanthanide(III) selenidoantimonates. The lanthanide selenidoantimonates exhibit semiconducting properties with E{sub g} between 2.08 and 2.51 eV. - Graphical Abstract: Two structural types of lanthanide(III) selenidoantimonates are formed in both en-dien and en-trien mixed polyamines across lanthanide series, indicating the lanthanide contraction effect on the structures of the lanthanide(III) selenidoantimonates. Highlights: > Two structural types of lanthanide selenidoantimonates are prepared across the lanthanide series in both Ln/Sb/Se/(en+dien) and Ln/Sb/Se/(en+trien) systems. > The [SbSe{sub 4}]{sup 3-} anion acts as a mono-SbSe{sub 4}, a {eta}{sup 2}-SbSe{sub 4} or a {mu}-{eta}{sup 1},{eta}{sup 2}-SbSe{sub 4} ligand to the Ln{sup 3+} ions. > The soft base ligand [SbSe{sub 4}]{sup 3-} can be controlled to coordinate to the Ln{sup 3+} ions with en+dien and en+trien as co-ligands.« less

Studying the Effect of a Composition of the Cluster Core in High-Radiopacity Cluster Complexes of Rhenium on Their Acute Toxicity In Vivo.

PubMed

Pozmogova, T N; Krasil'nikova, A A; Ivanov, A A; Shestopalov, M A; Gyrylova, S N; Shestopalova, L V; Shestopaloiv, A M; Shkurupy, V A

2016-05-01

An in vivo study was performed to evaluate the dependence of acute toxicity of high-radiopacity and luminescent octahedral cluster complexes of rhenium after intravenous injection on a composition of the cluster core. Changes in mouse body weight, water and food consumption, degree of intoxication, and morphological changes in the visceral organs were studied after intravenous injection of the following cluster complexes with various internal ligands (S, Se, or Te): Na4[{Re 6 Te 8 }(CN)6], Na4[{Re 6 Se 8 }(CN)6], and Na4[{Re 6 S 8 }(CN)6]. The Na4[{Re 6 S 8 } (CN)6] cluster complex was shown to be the safest for animals.

Probing Selenium-Ion Distributions and Changes in Redox-State at Biofilm/Mineral Interfaces by Coupling Long-period X-ray Standing Wave and XANES Measurements

NASA Astrophysics Data System (ADS)

Templeton, A. S.; Trainor, T. P.; Spormann, A. M.; Brown, G. E.

2002-12-01

Metal sorption and precipitation reactions at biological as well as mineral surfaces are important controls on metal speciation and bioavailability in natural environments. When highly hydrated biofilms form on mineral surfaces, numerous competitive and synergistic effects are predicted to occur. Experimentally, it is challenging to determine where the sorbed metal ions are localized, the relative affinity of the biological vs. mineral surface sites, or to monitor biomineralization reactions or changes in metal speciation that may also occur. A large part of the difficulty is due to the low concentrations of sorbed ions, the small length-scale of the biofilm-mineral interface, and the complex interplay between microbially-catalayzed redox transformations vs. sorption and/or transport processes. Long-period x-ray standing wave (XSW) techniques are well-suited to determining the vertical distribution of metal(oid) species within biofilms overlying mineral surfaces. We will discuss experiments where Se fluorescence yield profiles are used to compare the affinity of Burkholderia cepacia biofilms for binding Se(IV) and Se(VI) species relative to underlying alpha-Al2O3 substrates over three orders of magnitude in [Se]. In addition, we will discuss how coupling the XSW experiments to grazing-incidence, spatially-resolved Se K-edge XANES spectroscopy can be used to differentiate between the oxidation state of the Se complexes localized within the biofilm vs. the mineral surface. This approach is used to monitor changes in the relative distributions of Se(VI), Se(IV) and Se(0) species as a function of time and proximity to the mineral surface. The long-period XSW data show that selenite preferentially binds to the oxide surfaces, particularly at low [Se]. When B. cepacia is metabolically active, B. cepacia rapidly reduces a fraction of the Se(IV) to the red elemental Se form. In contrast, selenate is preferentially partitioned into the B. cepacia biofilms at all [Se] tested due to a lower affinity for binding to the mineral surface. XANES spectra show that rapid reduction of selenate by B. cepacia to Se(IV) and Se(0) species subsequently results in a vertical segregation of Se species at the B. cepacia/alpha-Al2O3 interface. Elemental Se accumulates within the biofilm with the Se(VI), whereas selenite intermediates preferentially sorb to the underlying oxide surface.

Prospective impact of illness uncertainty on outcomes in chronic lung disease.

PubMed

Hoth, Karin F; Wamboldt, Frederick S; Strand, Matthew; Ford, Dee W; Sandhaus, Robert A; Strange, Charlie; Bekelman, David B; Holm, Kristen E

2013-11-01

To determine which aspect of illness uncertainty (i.e., ambiguity or complexity) has a stronger association with psychological and clinical outcomes over a 2-year period among individuals with a genetic subtype of chronic obstructive pulmonary disease (COPD). Ambiguity reflects uncertainty about physical cues and symptoms, and complexity reflects uncertainty about treatment and the medical system. Four-hundred and 7 individuals with alpha-1 antitrypsin deficiency-associated COPD completed questionnaires at baseline, 1- and 2-year follow-up. Uncertainty was measured using the Mishel Uncertainty in Illness Scale. Outcomes were measured using the Hospital Anxiety and Depression Scale, St. George's Respiratory Questionnaire, and MMRC Dyspnea Scale. Ambiguity and complexity were examined as predictors of depressive symptoms, anxiety, quality of life, and breathlessness using linear mixed models adjusting for demographic and health characteristics. Ambiguity was associated with more depressive symptoms (b = 0.09, SE = 0.02, p < .001) and anxiety (b = 0.13, SE = 0.02, p < .001), worse quality of life (b = 0.57, SE = 0.10, p < .001), and more breathlessness (b = 0.02, SE = 0.006, p < .001). Complexity did not have an independent effect on any outcome. Interactions between ambiguity and time since diagnosis were not statistically significant. Ambiguity was prospectively associated with worse mood, quality of life, and breathlessness. Thus, ambiguity should be targeted in psychosocial interventions. Time since diagnosis did not affect the association between ambiguity and outcomes, suggesting that the impact of ambiguity is equally strong throughout the course of COPD.

Neutralization by Metal Ions of the Toxicity of Sodium Selenide

PubMed Central

Dauplais, Marc; Lazard, Myriam; Blanquet, Sylvain; Plateau, Pierre

2013-01-01

Inert metal-selenide colloids are found in animals. They are believed to afford cross-protection against the toxicities of both metals and selenocompounds. Here, the toxicities of metal salt and sodium selenide mixtures were systematically studied using the death rate of Saccharomyces cerevisiae cells as an indicator. In parallel, the abilities of these mixtures to produce colloids were assessed. Studied metal cations could be classified in three groups: (i) metal ions that protect cells against selenium toxicity and form insoluble colloids with selenide (Ag+, Cd2+, Cu2+, Hg2+, Pb2+ and Zn2+), (ii) metal ions which protect cells by producing insoluble metal-selenide complexes and by catalyzing hydrogen selenide oxidation in the presence of dioxygen (Co2+ and Ni2+) and, finally, (iii) metal ions which do not afford protection and do not interact (Ca2+, Mg2+, Mn2+) or weakly interact (Fe2+) with selenide under the assayed conditions. When occurring, the insoluble complexes formed from divalent metal ions and selenide contained equimolar amounts of metal and selenium atoms. With the monovalent silver ion, the complex contained two silver atoms per selenium atom. Next, because selenides are compounds prone to oxidation, the stabilities of the above colloids were evaluated under oxidizing conditions. 5,5'-dithiobis-(2-nitrobenzoic acid) (DTNB), the reduction of which can be optically followed, was used to promote selenide oxidation. Complexes with cadmium, copper, lead, mercury or silver resisted dissolution by DTNB treatment over several hours. With nickel and cobalt, partial oxidation by DTNB occurred. On the other hand, when starting from ZnSe or FeSe complexes, full decompositions were obtained within a few tens of minutes. The above properties possibly explain why ZnSe and FeSe nanoparticles were not detected in animals exposed to selenocompounds. PMID:23342137

Biodegradation of complex hydrocarbons in spent engine oil by novel bacterial consortium isolated from deep sea sediment.

PubMed

Ganesh Kumar, A; Vijayakumar, Lakshmi; Joshi, Gajendra; Magesh Peter, D; Dharani, G; Kirubagaran, R

2014-10-01

Complex hydrocarbon and aromatic compounds degrading marine bacterial strains were isolated from deep sea sediment after enrichment on spent engine (SE) oil. Phenotypic characterization and phylogenetic analysis of 16S rRNA gene sequences showed the isolates were related to members of the Pseudoalteromonas sp., Ruegeria sp., Exiguobacterium sp. and Acinetobacter sp. Biodegradation using 1% (v/v) SE oil with individual and mixed strains showed the efficacy of SE oil utilization within a short retention time. The addition of non-ionic surfactant 0.05% (v/v) Tween 80 as emulsifying agent enhanced the solubility of hydrocarbons and renders them more accessible for biodegradation. The degradation of several compounds and the metabolites formed during the microbial oxidation process were confirmed by Fourier transform infrared spectroscopy and Gas chromatography-mass spectrometry analyses. The potential of this consortium to biodegrade SE oil with and without emulsifying agent provides possible application in bioremediation of oil contaminated marine environment. Copyright © 2014 Elsevier Ltd. All rights reserved.

Zn–Se–Cd–S Interlayer Formation at the CdS/Cu 2 ZnSnSe 4 Thin-Film Solar Cell Interface

DOE PAGES

Bär, Marcus; Repins, Ingrid; Weinhardt, Lothar; ...

2017-06-14

The chemical structure of the CdS/Cu 2ZnSnSe 4 (CZTSe) interface was studied by a combination of electron and X-ray spectroscopies with varying surface sensitivity. We find the CdS chemical bath deposition causes a 'redistribution' of elements in the proximity of the CdS/CZTSe interface. In detail, our data suggest that Zn and Se from the Zn-terminated CZTSe absorber and Cd and S from the buffer layer form a Zn-Se-Cd-S interlayer. Here, we find direct indications for the presence of Cd-S, Cd-Se, and Cd-Se-Zn bonds at the buffer/absorber interface. Thus, we propose the formation of a mixed Cd(S,Se)-(Cd,Zn)Se interlayer. We also suggestmore » the underlying chemical mechanism is an ion exchange mediated by the amine complexes present in the chemical bath.« less

Sulforaphane is anticonvulsant and improves mitochondrial function.

PubMed

Carrasco-Pozo, Catalina; Tan, Kah Ni; Borges, Karin

2015-12-01

The nuclear factor erythroid 2-related factor 2 pathway (Nrf2) has been previously identified to protect the brain against various impacts. Here, we investigated the effect of the Nrf2 activator sulforaphane in various seizure models and hippocampal mitochondrial bioenergetics. We found that daily injections of sulforaphane for 5 days elevated the seizure thresholds to 6 Hz stimulation and fluorothyl-, but not pentylenetetrazole-induced tonic seizures and protected mice against pilocarpine-induced status epilepticus (SE). Also, sulforaphane increased the antioxidant defences within hippocampal formations and blood plasma. In addition, sulforaphane treatment reduced the extent of hippocampal lipid peroxidation 24 h post-SE and protected hippocampal mitochondria against SE-induced reduction in state 2 and uncoupler-stimulated state 3 respiration. SE-mediated partial loss of rotenone-sensitive and complex II-driven respiration was reduced, consistent with the enhanced activities of complexes I and II in sulforaphane-treated SE mice. In mitochondria isolated from both no SE and SE mice, sulforaphane increased state 3 respiration and respiration linked to ATP synthesis, which may contribute to its anticonvulsant and antioxidant effects by providing more ATP for cellular vital and protective functions. However, sulforaphane did not prevent SE-induced hippocampal cell death. In conclusion, sulforaphane and/or Nrf2 activation are viable anticonvulsant strategies, which are antioxidant and enhance mitochondrial function, especially the ability to produce ATP. Sulforaphane was anticonvulsant in two acute mouse models of epilepsy and protected mice against pilocarpine-induced status epilepticus (SE). We also found antioxidant effects of sulforaphane in mouse plasma and hippocampal formations, exhibited by increased catalase and superoxide dismutase (SOD) activity, as well as increased abilities of hippocampal mitochondria to produce ATP. These effects likely underlie sulforaphane's anticonvulsant mechanisms of action. © 2015 International Society for Neurochemistry.

Applicability of direct total reflection X-ray fluorescence analysis for selenium determination in solutions related to environmental and geochemical studies

NASA Astrophysics Data System (ADS)

Marguí, E.; Floor, G. H.; Hidalgo, M.; Kregsamer, P.; Roman-Ross, G.; Streli, C.; Queralt, I.

2010-12-01

A significant amount of environmental studies related to selenium determination in different environmental compartments have been published in the last years due to the narrow range between the Se nutritious requirement as essential element and toxic effects upon exposure. However, the direct analysis of complex liquid samples like natural waters and extraction solutions presents significant problems related to the low Se concentrations and the complicated matrix of this type of samples. The goal of the present research was to study the applicability of direct TXRF analysis of different type of solutions commonly used in environmental and geochemical studies, confirm the absence or presence of matrix effects and evaluate the limits of detection and accuracy for Se determination in the different matrices. Good analytical results were obtained for the direct analysis of ground and rain water samples with limits of detection for Se two orders of magnitude lower than the permissible Se concentration in drinking waters ([Se] = 10 μg/L) according to the WHO. However, the Se detection limits for more complex liquid samples such as thermal waters and extraction solutions were in the μg/L range due to the presence of high contents of other elements present in the matrix (i.e., Br, Fe, Zn) or the high background of the TXRF spectrum that hamper the Se determination at trace levels. Our results give insight into the possibilities and drawbacks of direct TXRF analysis and to a certain extent the potential applications in the environmental and geochemical field.

Speciation and weathering of selenium in upper cretaceous chalk and shale from South Dakota and Wyoming, USA

NASA Astrophysics Data System (ADS)

Kulp, Thomas R.; Pratt, Lisa M.

2004-09-01

In geologic materials, petroleum, and the environment, selenium occurs in various oxidation states (VI, IV, 0, -II), mineralized forms, and organo-Se complexes. Each of these forms is characterized by specific chemical and biochemical properties that control the element's solubility, toxicity, and environmental behavior. The organic rich chalks and shales of the Upper Cretaceous Niobrara Formation and the Pierre Shale in South Dakota and Wyoming are bentoniferous stratigraphic intervals characterized by anomalously high concentrations of naturally occurring Se. Numerous environmental problems have been associated with Se derived from these geological units, including the development of seleniferous soils and vegetation that are toxic to livestock and the contamination of drinking water supplies by Se mobilized in groundwater. This study describes a sequential extraction protocol followed by speciation treatments and quantitative analysis by Hydride Generation-Atomic Absorption Spectroscopy. This protocol was utilized to investigate the geochemical forms and the oxidation states in which Se occurs in these geologic units. Organic Se and di-selenide minerals are the predominant forms of Se present in the chalks, shales, and bentonites, but distinctive variations in these forms were observed between different sample types. Chalks contain significantly greater proportions of Se in the form of di-selenide minerals (including Se associated with pyrite) than the shales where base-soluble, humic, organo-Se complexes are more prevalent. A comparison between unweathered samples collected from lithologic drill cores and weathered samples collected from outcrop suggest that the humic, organic-Se compounds in shale are formed during oxidative weathering and that Se oxidized by weathering is more likely to be retained by shale than by chalk. Selenium enrichment in bentonites is inferred to result from secondary processes including the adsorption of Se mobilized by groundwater from surrounding organic rich sediments to clay mineral and iron hydroxide surfaces, as well as microbial reduction of Se within the bentonitic intervals. Distinct differences are inferred for the biogeochemical pathways that affected sedimentary Se sequestration during periods of chalk accumulation compared to shale deposition in the Cretaceous seaway. Mineralogy of sediment and the nature of the organic matter associated with each of these rock types have important implications for the environmental chemistry and release of Se to the environment during weathering.

Organizational Considerations for Implementing Systems Engineering and Integration in the Ares Projects Office

NASA Technical Reports Server (NTRS)

Thomas, LeAnn; Doreswamy, Rajiv N.

2008-01-01

Systems Engineering and Integration (SE&I) is a critical discipline in developing new space systems. In 2005, NASA performed an internal study of 24 agency and Department of Defense (DoD) programs to evaluate methods of integrating SE&I practices and determine their effectiveness. The goal of the study was to determine the best SE&I implementation strategy for the Ares Projects Office. The study identified six SE&I organizational structures: 1. Lead systems integrator (LSI) with SE&I responsibility and government technical insight. 2a. Integration contractor with government SE&I responsibility (government insight). 2b. Integration contractor with government SE&I responsibility (government oversight). 3a. Prime contractor with SE&I responsibility (government insight). 3b. Prime contractor with SE&I responsibility (government oversight). 3c. Prime contractor with SE&I responsibility (government/industry partnership). 4a.Prime contractor with government SE&I responsibility (government insight). 4b. Prime contractor with government SE&I responsibility (government oversight). 4d.Prime contractors with total system performance responsibility (TSPR). 5. Prime contractor with government SE&I responsibility and integration products through a Federally Funded Research and Development Center (FFRDC). 6. Government/FFRDC in-house development with SE&I responsibility and function. The organizational structure used most often was number 4, using a prime contractor with government SE&I responsibility and government technical insight. However, data analyses did not establish a positive relationship between program development costs and specific SE&I organizational types, nor did it positively determine the relationship between successful programs or projects and their SE&I structure. The SE&I study reached the following conclusions: (1) Large, long-duration, technically complex programs or projects reach their technical goals, but rarely meet schedule or cost goals. NASA's recent successes have been smaller, short-duration development projects using heritage hardware/software, focused technology development, technical oversight and stable external factors. (2) Programs and projects have failed or been terminated due to lack of technical insight, relaxing of SE&I processes, and unstable external factors. (3) The study did not find a single, clear optimum SE&I organization type to fit all projects. However, while any organizational structure can be made to work, the fewer complexities in the program, the better the likelihood of success. (4) The most common successful SE&I organization structure type in the study was type 4b, where the government maintained integration responsibility, with the prime contractor providing SE&I products and the government providing technical oversight. This study was instrumental in helping the APO select organization structure 4, following the same SE&I and oversight process used during humanlund7s last voyages to the Moon.

Vibrational dynamics of thiocyanate and selenocyanate bound to horse heart myoglobin

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

Maj, Michał; Oh, Younjun; Park, Kwanghee

2014-06-21

The structure and vibrational dynamics of SCN- and SeCN-bound myoglobin have been investigated using polarization-controlled IR pump-probe measurements and quantum chemistry calculations. The complexes are found to be in low and high spin states, with the dominant contribution from the latter. In addition, the Mb:SCN high spin complex exhibits a doublet feature in the thiocyanate stretch IR absorption spectra, indicating two distinct molecular conformations around the heme pocket. The binding mode of the high spin complexes was assigned to occur through the nitrogen atom, contrary to the binding through the sulfur atom that was observed in myoglobin derived from Aplysiamore » Limacina. The vibrational energy relaxation process has been found to occur substantially faster than those of free SCN{sup −} and SeCN{sup −} ions and neutral SCN- and SeCN-derivatized molecules reported previously. This supports the N-bound configurations of MbNCS and MbNCSe, because S- and Se-bound configurations are expected to have significantly long lifetimes due to the insulation effect by heavy bridge atom like S and Se in such IR probes. Nonetheless, even though their lifetimes are much shorter than those of corresponding free ions in water, the vibrational lifetimes determined for MbNCS and MbNCSe are still fairly long compared to those of azide and cyanide myoglobin systems studied before. Thus, thiocyanate and selenocyanate can be good local probes of local electrostatic environment in the heme pocket. The globin dependence on binding mode and vibrational dynamics is also discussed.« less

Genetic variation among Staphylococcus aureus strains from Norwegian bulk milk.

PubMed

Jørgensen, H J; Mørk, T; Caugant, D A; Kearns, A; Rørvik, L M

2005-12-01

Strains of Staphylococcus aureus obtained from bovine (n = 117) and caprine (n = 114) bulk milk were characterized and compared with S. aureus strains from raw-milk products (n = 27), bovine mastitis specimens (n = 9), and human blood cultures (n = 39). All isolates were typed by pulsed-field gel electrophoresis (PFGE). In addition, subsets of isolates were characterized using multilocus sequence typing (MLST), multiplex PCR (m-PCR) for genes encoding nine of the staphylococcal enterotoxins (SE), and the cloverleaf method for penicillin resistance. A variety of genotypes were observed, and greater genetic diversity was found among bovine than caprine bulk milk isolates. Certain genotypes, with a wide geographic distribution, were common to bovine and caprine bulk milk and may represent ruminant-specialized S. aureus. Isolates with genotypes indistinguishable from those of strains from ruminant mastitis were frequently found in bulk milk, and strains with genotypes indistinguishable from those from bulk milk were observed in raw-milk products. This indicates that S. aureus from infected udders may contaminate bulk milk and, subsequently, raw-milk products. Human blood culture isolates were diverse and differed from isolates from other sources. Genotyping by PFGE, MLST, and m-PCR for SE genes largely corresponded. In general, isolates with indistinguishable PFGE banding patterns had the same SE gene profile and isolates with identical SE gene profiles were placed together in PFGE clusters. Phylogenetic analyses agreed with the division of MLST sequence types into clonal complexes, and isolates within the same clonal complex had the same SE gene profile. Furthermore, isolates within PFGE clusters generally belonged to the same clonal complex.

Genetic Variation among Staphylococcus aureus Strains from Norwegian Bulk Milk

PubMed Central

Jørgensen, H. J.; Mørk, T.; Caugant, D. A.; Kearns, A.; Rørvik, L. M.

2005-01-01

Strains of Staphylococcus aureus obtained from bovine (n = 117) and caprine (n = 114) bulk milk were characterized and compared with S. aureus strains from raw-milk products (n = 27), bovine mastitis specimens (n = 9), and human blood cultures (n = 39). All isolates were typed by pulsed-field gel electrophoresis (PFGE). In addition, subsets of isolates were characterized using multilocus sequence typing (MLST), multiplex PCR (m-PCR) for genes encoding nine of the staphylococcal enterotoxins (SE), and the cloverleaf method for penicillin resistance. A variety of genotypes were observed, and greater genetic diversity was found among bovine than caprine bulk milk isolates. Certain genotypes, with a wide geographic distribution, were common to bovine and caprine bulk milk and may represent ruminant-specialized S. aureus. Isolates with genotypes indistinguishable from those of strains from ruminant mastitis were frequently found in bulk milk, and strains with genotypes indistinguishable from those from bulk milk were observed in raw-milk products. This indicates that S. aureus from infected udders may contaminate bulk milk and, subsequently, raw-milk products. Human blood culture isolates were diverse and differed from isolates from other sources. Genotyping by PFGE, MLST, and m-PCR for SE genes largely corresponded. In general, isolates with indistinguishable PFGE banding patterns had the same SE gene profile and isolates with identical SE gene profiles were placed together in PFGE clusters. Phylogenetic analyses agreed with the division of MLST sequence types into clonal complexes, and isolates within the same clonal complex had the same SE gene profile. Furthermore, isolates within PFGE clusters generally belonged to the same clonal complex. PMID:16332822

Prospective Impact of Illness Uncertainty on Outcomes in Chronic Lung Disease

PubMed Central

Hoth, Karin F.; Wamboldt, Frederick S.; Strand, Matthew; Ford, Dee W.; Sandhaus, Robert A.; Strange, Charlie; Bekelman, David; Holm, Kristen E.

2014-01-01

Objective To determine which aspect of illness uncertainty (i.e., ambiguity or complexity) has a stronger association with psychological and clinical outcomes over a two year period among individuals with a genetic subtype of chronic obstructive pulmonary disease (COPD). Ambiguity reflects uncertainty about physical cues and symptoms, and complexity reflects uncertainty about treatment and the medical system. Methods 407 individuals with alpha-1 antitrypsin deficiency-associated COPD completed questionnaires at baseline, 1- and 2-year follow-up. Uncertainty was measured using the Mishel Uncertainty in Illness Scale. Outcomes were measured using the Hospital Anxiety and Depression Scale, St. George's Respiratory Questionnaire, and MMRC Dyspnea Scale. Ambiguity and complexity were examined as predictors of depressive symptoms, anxiety, quality of life, and breathlessness using linear mixed models adjusting for demographic and health characteristics. Results Ambiguity was associated with more depressive symptoms (b = 0.09, SE = 0.02, p < 0.001) and anxiety (b = 0.13, SE = 0.02, p < 0.001), worse quality of life (b = 0.57, SE = 0.10, p < 0.001), and more breathlessness (b = 0.02, SE = 0.006, p < 0.001). Complexity did not have an independent effect on any outcome. Interactions between ambiguity and time since diagnosis were not statistically significant. Conclusions Ambiguity was prospectively associated with worse mood, quality of life, and breathlessness. Thus, ambiguity should be targeted in psychosocial interventions. Time since diagnosis did not affect the association between ambiguity and outcomes, suggesting that the impact of ambiguity is equally strong throughout the course of COPD. PMID:23772888

MEMD-enhanced multivariate fuzzy entropy for the evaluation of complexity in biomedical signals.

PubMed

Azami, Hamed; Smith, Keith; Escudero, Javier

2016-08-01

Multivariate multiscale entropy (mvMSE) has been proposed as a combination of the coarse-graining process and multivariate sample entropy (mvSE) to quantify the irregularity of multivariate signals. However, both the coarse-graining process and mvSE may not be reliable for short signals. Although the coarse-graining process can be replaced with multivariate empirical mode decomposition (MEMD), the relative instability of mvSE for short signals remains a problem. Here, we address this issue by proposing the multivariate fuzzy entropy (mvFE) with a new fuzzy membership function. The results using white Gaussian noise show that the mvFE leads to more reliable and stable results, especially for short signals, in comparison with mvSE. Accordingly, we propose MEMD-enhanced mvFE to quantify the complexity of signals. The characteristics of brain regions influenced by partial epilepsy are investigated by focal and non-focal electroencephalogram (EEG) time series. In this sense, the proposed MEMD-enhanced mvFE and mvSE are employed to discriminate focal EEG signals from non-focal ones. The results demonstrate the MEMD-enhanced mvFE values have a smaller coefficient of variation in comparison with those obtained by the MEMD-enhanced mvSE, even for long signals. The results also show that the MEMD-enhanced mvFE has better performance to quantify focal and non-focal signals compared with multivariate multiscale permutation entropy.

Selenium extraction: development on extraction chromatographic resins compatible with Diffusive Gradient in Thin film (DGT)

NASA Astrophysics Data System (ADS)

Rad, S.; Dirks-Fandrei, C.; Happel, S. A.; Bombard, A.; Cary, L.

2016-12-01

Measurement of Selenium is of importance regarding public health as the ratio between beneficial daily intake and toxicity is rather low [1], [2]. Also from the radiological perspective, Se-79 as a long-lived fission nuclide (T1/2=2.8x105y) with high mobility in environment, is of concern regarding waste management and decommissioning [3], [4]. Due to the existence of different oxidation states Selenium has a complex speciation chemistry which makes extraction and separation schemes not straightforward. The aim of this research is to develop extraction methods for Selenium based on extraction chromatographic resins allowing for the extraction of Se(VI), as well as Se(IV), from water samples for later use on DGT (Diffusive Gradients in Thin films) devices. Extraction chromatographic resins have been tested and characterized for Se and other elements. For Se(VI) a commercially available Aliquat 336 based extraction chromatographic resin (TEVA resin[5]) was found to be most suitable, for Se(IV) a newly developed extraction chromatographic resin based on Piazselenol chemistry was found to be most effective, data on the selectivity of this resin will be presented. The extraction of Se(IV) and Se(VI) by these resins was tested on water sampled in Lille City, where a high Se spatial variability has been observed. Concentrations in groundwater can reach 30µg/L as a consequence; most Se-contaminated wells are no longer exploited by the water operators. One of the applications of this development is to be able to measure Se concentrations insitu in contaminated areas including very complex object such as hyporheic zone. [1] Cary L. et al. Applied Geochemistry 48 (2014) 70-82 [2] Chen C. et al. Biological Trace Element Research Vols. 71-72 (1999) 131-138 [3] http://www.irsn.fr/FR/Larecherche/publications-documentation/fiches-radionucleides/Documents/environnement/Selenium_Se79_v2.pdf last access 03/03/2016 [4] Uchida et al. WM2009 Conference, March 1-5, 2009, Phoenix, AZ [5] Horwitz P. et al. Analytica Chimica Acta 310 (1995) 63-78

Anomalous correlation effects and unique phase diagram of electron-doped FeSe revealed by photoemission spectroscopy

PubMed Central

Wen, C. H. P.; Xu, H. C.; Chen, C.; Huang, Z. C.; Lou, X.; Pu, Y. J.; Song, Q.; Xie, B. P.; Abdel-Hafiez, Mahmoud; Chareev, D. A.; Vasiliev, A. N.; Peng, R.; Feng, D. L.

2016-01-01

FeSe layer-based superconductors exhibit exotic and distinctive properties. The undoped FeSe shows nematicity and superconductivity, while the heavily electron-doped KxFe2−ySe2 and single-layer FeSe/SrTiO3 possess high superconducting transition temperatures that pose theoretical challenges. However, a comprehensive study on the doping dependence of an FeSe layer-based superconductor is still lacking due to the lack of a clean means of doping control. Through angle-resolved photoemission spectroscopy studies on K-dosed thick FeSe films and FeSe0.93S0.07 bulk crystals, here we reveal the internal connections between these two types of FeSe-based superconductors, and obtain superconductivity below ∼46 K in an FeSe layer under electron doping without interfacial effects. Moreover, we discover an exotic phase diagram of FeSe with electron doping, including a nematic phase, a superconducting dome, a correlation-driven insulating phase and a metallic phase. Such an anomalous phase diagram unveils the remarkable complexity, and highlights the importance of correlations in FeSe layer-based superconductors. PMID:26952215

Methylmercury and selenium speciation in different tissues of beluga whales (Delphinapterus leucas) from the western Canadian Arctic.

PubMed

Lemes, Marcos; Wang, Feiyue; Stern, Gary A; Ostertag, Sonja K; Chan, Hing Man

2011-12-01

Monitoring data have shown that the total monomethylmercury (CH(3) Hg(+) and its complexes; collectively referred as MeHg hereafter) concentrations in Arctic marine mammals have remained very high in recent decades. Toward a better understanding of the metabolic and toxicological implications of these high levels of MeHg, we report here on the molecular forms of MeHg in the muscle, brain, liver, and kidneys of 10 beluga whales from the western Canadian Arctic. In all tissues analyzed, monomethylmercury was found to be dominated by methylmercuric cysteinate, a specific form of MeHg believed to be able to transport across the blood-brain barrier. Another MeHg-thiol complex, methylmercuric glutathionate, was also detected in the muscle and, to a much lesser extent, in the liver and brain tissues. Furthermore, a profound inorganic Hg peak was detected in the liver and brain tissues, which showed the same retention time as a selenium (Se) peak, suggesting the presence of an Hg-Se complex, most likely an inorganic Hg complex with a selenoamino acid. These results provide the first analytical support that the binding of MeHg with glutathione and Se may have protected beluga whales from the toxic effect of high concentrations of MeHg in their body. Copyright © 2011 SETAC.

From a Proven Correct Microkernel to Trustworthy Large Systems

NASA Astrophysics Data System (ADS)

Andronick, June

The seL4 microkernel was the world's first general-purpose operating system kernel with a formal, machine-checked proof of correctness. The next big step in the challenge of building truly trustworthy systems is to provide a framework for developing secure systems on top of seL4. This paper first gives an overview of seL4's correctness proof, together with its main implications and assumptions, and then describes our approach to provide formal security guarantees for large, complex systems.

Genetic Diversity of Anopheles triannulatus s.l. (Diptera: Culicidae) from Northwestern and Southeastern Colombia

PubMed Central

Rosero, Doris A.; Jaramillo, Luz M.; Gutiérrez, Lina A.; Conn, Jan E.; Correa, Margarita M.

2012-01-01

Anopheles triannulatus s.l. is a species complex, however in Colombia its taxonomic status is unclear. This study was conducted to understand the level of genetic differentiation or population structure of specimens of An. triannulatus s.l. from northwestern and southeastern Colombia. Cytochrome oxidase subunit I (COI) and internal transcribed spacer (ITS2) sequence analyses suggested high genetic differentiation between the NW and SE populations. A TCS network and Bayesian inference analysis based on 814 bp of COI showed two main groups: group I included samples from the NW and group II samples from the SE. Two main ITS2-polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP) patterns were found. Pattern I is present in both the NW and SE, and pattern II is found in the SE specimens. To further elucidate the taxonomic status of An. triannulatus s.l. in Colombia and how these COI lineages are related to the Triannulatus Complex species, the evaluation of immature stages, male genitalia, and additional mitochondrial and nuclear markers will be needed. PMID:22949519

Genetic diversity of Anopheles triannulatus s.l. (Diptera: Culicidae) from northwestern and southeastern Colombia.

PubMed

Rosero, Doris A; Jaramillo, Luz M; Gutiérrez, Lina A; Conn, Jan E; Correa, Margarita M

2012-11-01

Anopheles triannulatus s.l. is a species complex, however in Colombia its taxonomic status is unclear. This study was conducted to understand the level of genetic differentiation or population structure of specimens of An. triannulatus s.l. from northwestern and southeastern Colombia. Cytochrome oxidase subunit I (COI) and internal transcribed spacer (ITS2) sequence analyses suggested high genetic differentiation between the NW and SE populations. A TCS network and Bayesian inference analysis based on 814 bp of COI showed two main groups: group I included samples from the NW and group II samples from the SE. Two main ITS2-polymerase chain reaction-restriction fragment length polymorphism (PCR-RFLP) patterns were found. Pattern I is present in both the NW and SE, and pattern II is found in the SE specimens. To further elucidate the taxonomic status of An. triannulatus s.l. in Colombia and how these COI lineages are related to the Triannulatus Complex species, the evaluation of immature stages, male genitalia, and additional mitochondrial and nuclear markers will be needed.

Trivalent scandium, yttrium and lanthanide complexes with thia-oxa and selena-oxa macrocycles and crown ether coordination.

PubMed

Champion, Martin J D; Farina, Paolo; Levason, William; Reid, Gillian

2013-09-28

Complexes of the oxa-thia macrocycles [18]aneO4S2, [15]aneO3S2 and the oxa-selena macrocycle [18]aneO4Se2 (L) of types [MCl2(L)]FeCl4 (M = Sc or Y) were prepared from [ScCl3(thf)3] or [YCl2(THF)5][YCl4(THF)2] and the ligand in anhydrous MeCN, using FeCl3 as a chloride abstractor. The [MI2(L)]I, [LaI3(L)] and [LuI2(L)]I have been prepared from the ligands and the appropriate anhydrous metal triiodide in MeCN. Complexes of type [LaI3(crown)] and [LuI2(crown)]I (crown = 18-crown-6, 15-crown-5) were made for comparison. Use of the metal iodide results in complexes with high solubility compared to the corresponding chlorides, although also with increased sensitivity to moisture. All complexes were characterised by microanalysis, IR, (1)H, (45)Sc and (77)Se NMR spectroscopy as appropriate. X-ray crystal structures are reported for [ScCl2([18]aneO4S2)][FeCl4], [ScI2([18]aneO4S2)]I, [YCl2(18-crown-6)]3[Y2Cl9], [YCl2([18]aneO4S2)][FeCl4], [LaI3(15-crown-5)], [LaI2(18-crown-6)(MeCN)]I, [LuI(18-crown-6)(MeCN)2]I2, [Lu(15-crown-5)(MeCN)2(OH2)]I3, [LaI3([18]aneO4S2)], [LaI([18]aneO4S2)(OH2)]I2, [LaI3([18]aneO4Se2)] and [LuI2([18]aneO4Se2)]I. In each complex all the neutral donor atoms of the macrocycles are coordinated to the metal centre, showing very rare examples of these oxophilic metal centres coordinated to thioether groups, and the first examples of coordinated selenoether donors. In some cases MeCN or adventitious water displaces halide ligands, but not the S/Se donors from La or Lu complexes. A complex of the oxa-tellura macrocycle [18]aneO4Te2, [ScCl2([18]aneO4Te2)][FeCl4] was isolated, but is unstable in MeCN solution, depositing elemental Te. YCl3 and 18-crown-6 produced [YCl2(18-crown-6)]3[Y2Cl9], the asymmetric unit of which contains two cations with a trans-YCl2 arrangement and a third with a cis-YCl2 group.

Structural evolution of dilute magnetic (Sn,Mn)Se films grown by molecular beam epitaxy

NASA Astrophysics Data System (ADS)

Kanzyuba, Vasily; Dong, Sining; Liu, Xinyu; Li, Xiang; Rouvimov, Sergei; Okuno, Hanako; Mariette, Henri; Zhang, Xueqiang; Ptasinska, Sylwia; Tracy, Brian D.; Smith, David J.; Dobrowolska, Margaret; Furdyna, Jacek K.

2017-02-01

We describe the structural evolution of dilute magnetic (Sn,Mn)Se films grown by molecular beam epitaxy on GaAs (111) substrates, as revealed by transmission electron microscopy, X-ray diffraction, and X-ray photoelectron spectroscopy. When the Mn concentration is increased, the lattice of the ternary (Sn,Mn)Se films evolves quasi-coherently from a SnSe2 two-dimensional (2D) crystal structure into a more complex quasi-2D lattice rearrangement, ultimately transforming into the magnetically concentrated antiferromagnetic MnSe 3D rock-salt structure as Mn approaches 50 at. % of this material. These structural transformations are expected to underlie the evolution of magnetic properties of this ternary system reported earlier in the literature.

Similarity, Not Complexity, Determines Visual Working Memory Performance

ERIC Educational Resources Information Center

Jackson, Margaret C.; Linden, David E. J.; Roberts, Mark V.; Kriegeskorte, Nikolaus; Haenschel, Corinna

2015-01-01

A number of studies have shown that visual working memory (WM) is poorer for complex versus simple items, traditionally accounted for by higher information load placing greater demands on encoding and storage capacity limits. Other research suggests that it may not be complexity that determines WM performance per se, but rather increased…

Quantitative analysis of the persistent photoconductivity effect in Cu(In,Ga)Se2

NASA Astrophysics Data System (ADS)

Maciaszek, Marek; Zabierowski, Paweł

2018-04-01

The magnitude of the persistent photoconductivity effect (PPC) in two sets of Cu(In,Ga)Se2 samples, differing in the amount of cadmium and sodium, was measured. Using equations describing the magnitude of PPC, metastable defect and shallow acceptor densities were calculated. The method of the analysis of PPC in the presence of a deep acceptor level was presented. Based on obtained results, we drew conclusions about reasons of decreased PPC in Cu(In,Ga)Se2 without sodium as well as the role of (VSe-VCu) complexes in establishing the carrier concentration in Cu(In,Ga)Se2 with and without sodium.

TeX4 (X = F, Cl, Br) as Lewis acids--complexes with soft thio- and seleno-ether ligands.

PubMed

Hector, Andrew L; Jolleys, Andrew; Levason, William; Reid, Gillian

2012-08-28

TeF(4) reacts with OPR(3) (R = Me or Ph) in anhydrous CH(2)Cl(2) to give the colourless, square based pyramidal 1 : 1 complexes [TeF(4)(OPR(3))] only, in which the OPR(3) is coordinated basally in the solid state, (R = Me: d(Te-O) = 2.122(2) Å; R = Ph: d(Te-O) = 2.1849(14) Å). Variable temperature (19)F{(1)H}, (31)P{(1)H} and (125)Te{(1)H} NMR spectroscopic studies strongly suggest this is the low temperature structure in solution, although the systems are dynamic. The much softer donor ligands SMe(2) and SeMe(2) show a lower affinity for TeF(4), although unstable, yellow products with spectroscopic features consistent with [TeF(4)(EMe(2))] are obtained by the reaction of TeF(4) in neat SMe(2) or via reaction in CH(2)Cl(2) with SeMe(2). TeX(4) (X = F, Cl or Br) causes oxidation and halogenation of TeMe(2) to form X(2)TeMe(2). The Br(2)TeMe(2) hydrolyses in trace moisture to form [BrMe(2)Te-O-TeMe(2)Br], the crystal structure of which has been determined. TeX(4) (X = Cl or Br) react with the selenoethers SeMe(2), MeSe(CH(2))(3)SeMe or o-C(6)H(4)(SeMe)(2) (X = Cl) in anhydrous CH(2)Cl(2) to give the distorted octahedral monomers trans-[TeX(4)(SeMe(2))(2)], cis-[TeX(4){MeSe(CH(2))(3)SeMe}] and cis-[TeCl(4){o-C(6)H(4)(SeMe)(2)}], which have been characterised by IR, Raman and multinuclear NMR ((1)H, (77)Se{(1)H} and (125)Te{(1)H}) spectroscopy, and via X-ray structure determinations of representative examples. Tetrahydrothiophene (tht) can form both 1 : 1 and 1 : 2 Te : L complexes. For X = Br, the former has been shown to be a Br-bridged dimer, [Br(3)(tht)Te(μ-Br)(2)TeBr(3)(tht)], by crystallography with the tht ligands anti, whereas the latter are trans-octahedral monomers. Like its selenoether analogue, MeS(CH(2))(3)SMe forms distorted octahedral cis-chelates, [TeX(4){MeS(CH(2))(3)SMe}], whereas the more rigid o-C(6)H(4)(SMe)(2) unexpectedly forms a zig-zag chain polymer in the solid state, [TeCl(4){o-C(6)H(4)(SMe)(2)}](n), in which the dithioether adopts an extremely unusual bridging mode. This is in contrast to the chelating monomer, cis-[TeCl(4){o-C(6)H(4)(SeMe)(2)}], formed with the analogous selenoether and may be attributed to small differences in the ligand chelate bite angles. The wider bite angle xylyl-linked bidentates, o-C(6)H(4)(CH(2)EMe(2))(2) behave differently; the thioether forms cis-chelated [TeX(4){o-C(6)H(4)(CH(2)SMe)(2)}] confirmed crystallographically, whereas the selenoether undergoes C-Se cleavage and rearrangement on treatment with TeX(4), forming the cyclic selenonium salts, [C(9)H(11)Se](2)[TeX(6)]. The tetrathiamacrocycle, [14]aneS(4) (1,4,8,11-tetrathiacyclotetradecane), does not react cleanly with TeCl(4), but forms the very poorly soluble [TeCl(4)([14]aneS(4))](n), shown by crystallography to be a zig-zag polymer with exo-coordinated [14]aneS(4) units linked via alternate S atoms to a cis-TeCl(4) unit. Trends in the (125)Te{(1)H} NMR shifts for this series of Te(IV) halides chalcogenoether complexes are discussed.

Enhanced visible-light-driven photocatalytic activity of mesoporous TiO2-xNx derived from the ethylenediamine-based complex

NASA Astrophysics Data System (ADS)

Jiang, Zheng; Kong, Liang; Alenazey, Feraih Sh.; Qian, Yangdong; France, Liam; Xiao, Tiancun; Edwards, Peter P.

2013-05-01

A facile solvent evaporation induced self-assembly (SEISA) strategy was developed to synthesize mesoporous N-doped anatase TiO2 (SE-meso-TON) using a single organic complex precursor derived in situ from titanium butoxide and ethylenediamine in ethanol solution. After the evaporation of ethanol in a fume hood and subsequent calcinations at 450 °C, the obtained N-doped TiO2 (meso-TON) anatase was of finite crystallite size, developed porosity, large surface area (101 m2 g-1) and extended light absorption in the visible region. This SE-meso-TON also showed superior photocatalytic activity to the SG-meso-TON anatase prepared via sol-gel synthesis. On the basis of characterization results from XRD, XPS, N2 adsorption-desorption and ESR, the enhanced visible-light-responsive photocatalytic activity of SE-meso-TON was assigned to its developed mesoporosity and reduced oxygen vacancies.

The Social Environment and Illness Uncertainty in Chronic Obstructive Pulmonary Disease

PubMed Central

Hoth, Karin F.; Wamboldt, Frederick S.; Ford, Dee W.; Sandhaus, Robert A.; Strange, Charlie; Bekelman, David B.; Holm, Kristen E.

2014-01-01

Purpose Illness uncertainty is associated with worse outcomes in patients with chronic health conditions. Research on social factors associated with uncertainty has focused on the beneficial role of social support. The goal of this study was to develop a more nuanced understanding of the social factors that are associated with uncertainty. Methods 462 individuals with alpha-1 antitrypsin deficiency (AATD) associated chronic obstructive pulmonary disease (COPD) completed a mailed questionnaire. Measures of the social environment included general family functioning, perceived criticism from family members, whether the participant had family members with AATD or COPD, and participation in support groups. Uncertainty was measured using the Mishel Uncertainty in Illness Scale including subscales for ambiguity (uncertainty about physical cues and symptoms) and complexity (uncertainty about treatment and the medical system). Hierarchical regression was used to identify social correlates of ambiguity and complexity while adjusting for demographic and medical characteristics and psychological distress. Results Perceived criticism was associated with more complexity (b=0.21, SE=0.09, p=0.015) and ambiguity (b=0.40, SE=0.12, p=0.001). Having a family member with AATD or COPD was associated with more ambiguity (b=3.28, SE=1.00, p=0.001). Participation in support groups was associated with less ambiguity. Individuals who attended three or more support groups in the prior year reported less ambiguity than individuals who had not attended any (b=−3.31, SE=1.29, p=0.010). Conclusions The social environment is complex and encompasses more than social support. Multiple aspects of the social environment are associated with uncertainty, including perceived criticism, having a family member with a similar illness, and participation in support groups. PMID:25008041

Transport of chromium and selenium in a pristine sand and gravel aquifer: Role of adsorption processes

USGS Publications Warehouse

Kent, D.B.; Davis, J.A.; Anderson, L.C.D.; Rea, B.A.

1995-01-01

Field transport experiments were conducted in an oxic sand and gravel aquifer using Br (bromide ion), Cr (chromium, injected as Cr(VI)), Se (selenium, injected as Se(VI)), and other tracers. The aquifer has mildly acidic pH values and low concentrations of dissolved salts. Within analytical errors, all mobile Cr was present as Cr(VI). All mobile Se was probably present as Se(VI). Adsorption of Cr and Se onto aquifer sediments caused retardation of both tracers. Breakthrough curves for Cr and Se had extensive tails, which caused large decreases in their maximum concentrations relative to the nonreactive Br tracer after only 2.0 m of transport. A surface complexation model was applied to the results of laboratory studies of Cr(VI) adsorption on aquifer solids from the site based on adsorption onto hydrous ferric oxide. The modeling results suggested that the dominant adsorbents in the aquifer solids have lower affinities for anion adsorption than pure hydrous ferric oxide. The steep rising limbs and extensive tails observed in most of the breakthrough curves are qualitatively consistent with the equilibrium surface complexation model; however, slow rates of adsorption and desorption may have contributed to these features. Variations during transport in the concentrations of Cr, Se, and other anions competing for adsorption sites likely gave rise to variations in the extent of adsorption. Adequate description of the observed retardation of Cr and Se would require a coupled transport-adsorption model that can account for these effects. Companion experiments in the mildly reducing zone of the aquifer (Kent et al., 1994) showed a loss of Cr mass, probably resulting from reduction to Cr(III), and little retardation of mobile Cr and Se during transport; this contrast illustrates the influence of aquifer chemistry on the transport of redox-sensitive solutes.

Mechanistic understanding of MeHg-Se antagonism in soil-rice systems: the key role of antagonism in soil

PubMed Central

Wang, Yongjie; Dang, Fei; Evans, R. Douglas; Zhong, Huan; Zhao, Jiating; Zhou, Dongmei

2016-01-01

Methylmercury (MeHg) accumulation in rice has great implications for human health. Here, effects of selenium (Se) on MeHg availability to rice are explored by growing rice under soil or foliar fertilization with Se. Results indicate that soil amendment with Se could reduce MeHg levels in soil and grain (maximally 73%). In contrast, foliar fertilization with Se enhanced plant Se levels (3–12 folds) without affecting grain MeHg concentrations. This evidence, along with the distinct distribution of MeHg and Se within the plant, demonstrate for the first time that Se-induced reduction in soil MeHg levels (i.e., MeHg-Se antagonism in soil) rather than MeHg-Se interactions within the plant might be the key process triggering the decreased grain MeHg levels under Se amendment. The reduction in soil MeHg concentrations could be mainly attributed to the formation of Hg-Se complexes (detected by TEM-EDX and XANES) and thus reduced microbial MeHg production. Moreover, selenite and selenate were equally effective in reducing soil MeHg concentrations, possibly because of rapid changes in Se speciation. The dominant role of Se-induced reduction in soil MeHg levels, which has been largely underestimated previously, together with the possible mechanisms advance our mechanistic understanding about MeHg dynamics in soil-rice systems. PMID:26778218

Synthesis and structures of metal chalcogenide precursors

NASA Technical Reports Server (NTRS)

Hepp, Aloysius F.; Duraj, Stan A.; Eckles, William E.; Andras, Maria T.

1990-01-01

The reactivity of early transition metal sandwich complexes with sulfur-rich molecules such as dithiocarboxylic acids was studied. Researchers recently initiated work on precursors to CuInSe2 and related chalcopyrite semiconductors. Th every high radiation tolerance and the high absorption coefficient of CuInSe2 makes this material extremely attractive for lightweight space solar cells. Their general approach in early transition metal chemistry, the reaction of low-valent metal complexes or metal powders with sulfur and selenium rich compounds, was extended to the synthesis of chalcopyrite precursors. Here, the researchers describe synthesis, structures, and and routes to single molecule precursors to metal chalcogenides.

Synthesis and X-ray structures of dilithium complexes of the phosphonate anions [PhP(E)(N(t)Bu)(2)](2-) (E = O, S, Se, Te) and dimethylaluminum derivatives of [PhP(E)(N(t)Bu)(NH(t)Bu)](-) (E = S, Se).

PubMed

Briand, Glen G; Chivers, Tristram; Krahn, Mark; Parvez, Masood

2002-12-16

The dilithium salts of the phosphonate dianions [PhP(E)(N(t)Bu)(2)](2-) (E = O, S, Se) are generated by the lithiation of [PhP(E)(NH(t)Bu)(2)] with n-butyllithium. The formation of the corresponding telluride (E = Te) is achieved by oxidation of [Li(2)[PhP(N(t)Bu)(2)

First-principles study of defect formation in a photovoltaic semiconductor Cu2ZnGeSe4

NASA Astrophysics Data System (ADS)

Nishihara, Hironori; Maeda, Tsuyoshi; Wada, Takahiro

2018-02-01

The formation energies of neutral Cu, Zn, Ge, and Se vacancies in kesterite-type Cu2ZnGeSe4 were evaluated by first-principles pseudopotential calculations using plane-wave basis functions. The calculations were performed at typical points in Cu-(Zn1/2Ge1/2)-Se and Cu3Se2-ZnSe-GeSe2 pseudoternary phase diagrams for Cu2ZnGeSe4. The results were compared with those for Cu2ZnSnSe4, Cu2ZnGeS4, and Cu2ZnSnS4 calculated using the same version of the CASTEP program code. The results indicate that Cu vacancies are easily formed in Cu2ZnGeSe4 under the Cu-poor condition as in the above compounds and CuInSe2, suggesting that Cu2ZnGeSe4 is also a preferable p-type absorber material for thin-film solar cells. The formation energies of possible antisite defects, such as CuZn and CuGe, and of possible complex defects, such as CuZn+ZnCu, were also calculated and compared within the above materials. The antisite defect of CuZn, which has the smallest formation energy within the possible defects, is concluded to be the most hardly formed in Cu2ZnGeSe4 among the compounds.

Adsorption study of selenium ions from aqueous solutions using MgO nanosheets synthesized by ultrasonic method

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

Cui, Wenwen; Li, Ping; Wang, Zheming

tMgO nanosheets with thickness ranges of 3–10 molecule layers and high specific area (166.44 m2g-1)were successfully fabricated by an ultrasound-assisted exfoliation method and used as adsorbent forthe removal of both selenite (Se(IV)) and selenate (Se(VI)) from aqueous solutions. The resulting MgOnanosheets displayed high maximum adsorption capacities of 103.52 and 10.28 mg g-1for Se(IV) andSe(VI), respectively. ATR-FTIR and XPS spectroscopic results suggested that both Se(IV) and Se(VI) formedinner-sphere surface complexes on MgO nanosheets under the present experimental conditions. Fur-thermore, high adsorption capacity for Se(IV/VI) in the presence of coexistent anions (SO 4 2-, PO43-, Cl-,and F-) and efficient regeneratability of adsorbentmore » by NaOH solution were observed in the competitiveadsorption and regeneration steps. The simple one-step synthesis process of MgO nanosheets and highadsorption capacities offer a promising method for Se(IV/VI) removal in water treatment.« less

Ordered defect compounds in CuInSe{sub 2} for photovoltaic solar cell application

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

Sato, K.; Katayama-Yoshida, H.

2014-02-21

Due to the complete compensation, defect complex (2V{sub Cu}+In{sub Cu}), namely two Cu vacancies and In located at Cu site, is stable in CuInSe{sub 2} (CIS). It is known that the series of ordered defect compounds (ODC) are constracted by ordering the defect complex. Based on the total energy calcalation by using the Korringa-Kohn-Rostoker coherent potential approxiamtion (KKR-CPA) method, we discuss phase separation of the CIS with the defect complexes into ODC and CIS. Since the band alignment between ODC and CIS is calculated to be type 2, effective electron-hole separation at the interface between ODC and CIS can bemore » expected. This causes the enhancement of conversion efficiency of CIS-based solar cell materials.« less

Parallel Elemental and Molecular Mass Spectrometry (PEMMS) for Speciation of Metals in Complex Matrices

NASA Astrophysics Data System (ADS)

Derry, L. A.; Sacks, G. L.; Brenna, J. T.

2006-12-01

The mobility, bioavailability, and toxicity of many metals are strongly influenced by their molecular form, or speciation. Many metals (M) in the environment are complexed with organic ligands (L); in some cases such complexed forms comprise virtually all of the dissolved metal. When available, stability constants can be used to model speciation, but only when the identities of species can be known or assumed. In other cases, coupling a separation tool such as HPLC to a metal detection system like ICP-MS can provide information on speciation. But because ICP-MS destroys molecular information the complexing L must be identified by retention time matching of standards. The assumptions inherent in these approaches preclude investigation of unknown compounds. Electrochemical methods can determine conditional stability constants for unknown L but do not provide information on their molecular structure or composition. Molecular MS allows characterization of molecular mass and structure and is a powerful tool for identifying unknown organic compounds. However, sensitivity for M and precision for isotope ratios are often low. We combined HPLC separation with simultaneous parallel detection of metals (M) and ligands (L) by ICP-MS and API-QTOF-MS-MS. The basis of our approach is that the shape of a chromatographic peak is essentially set by interactions with the LC column. The signal of a metal M determined by the ICP-MS in chromatographic mode is fit using an exponentially modified Gaussian function. Peak parameters including retention time, peak width and skew are determined for the M peak. The parallel QTOF signal in full scan mode may show hundreds of peaks in the same time window. The acquired peak library is searched for L peaks that match the parameters determined for the M peak on the ICP-MS. We have found that our system can correctly identify M-L pairs and L in complex samples and generates few false positives. Unknown L can be further interrogated by using the MS-MS product ion scan mode of the QTOF, in which candidate peaks are fragmented in a collision cell after MS1 and the fragments analyzed by MS2. The combination of precise mass determinations, recognition of isotopomers, and product ion scans can often identify unknown M-L in complex natural mixtures without prior knowledge of the sample composition. Data from seleno-compounds illustrate the PEMMS concept. An artificially noisy sample was generated by spiking 30 ppb Se-methionine (SeMet) and 5 ppb Se-methylselenocysteine (SeMSC) with unselenized yeast extract and run by PEMMS. The PEMMS software was able to detect four molecular MS peaks associated with SeMet and two for SeMSC, while filtering out more than 40 co-eluting spectral peaks associated with chemical noise in each sample. Additional data from Cu-thiols produced by marine plankton and soil chelates of Al demonstrate the utility of the PEMMS approach in the study of natural environmental systems.

Inverse-Micelle-Encapsulated Water-Enabled Bond Breaking of Dialkyl Diselenide/Disulfide: A Critical Step for Synthesizing High- Quality Gold Nanoparticles

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

Zaluzhna, Oksana; Li, Ying; Allison, Thomas C.

2012-10-09

Inverse-micelle-encapsulated water formed in the two-phase Brust-Schiffrin method (BSM) synthesis of Au nanoparticles (NPs) is identified as essential for dialkyl diselenide/disulfide to react with the Au(III) complex in which the Se-Se/S-S bond is broken, leading to formation of higher-quality Au NPs.

Facile synthesis of bis(dichalcogenophosphinate)s and a remarkable [Li8(OH)6]2+ polyhedron.

PubMed

Davies, Robert P; Martinelli, M Giovanna; Patel, Laura; White, Andrew J P

2010-05-17

The synthesis and characterization of three lithium complexes of novel bis(dichalcogenophosphinate) ligands are reported: (PhP(S)(2)CH(2)CH(2)P(S)(2)Ph)Li(2)(THF)(4) (2), (PhP(Se)(2)CH(2)CH(2)P(Se)(2)Ph)Li(2)(THF)(4).(PhP(Se)(2)CH(2)CH(2)P(Se)(2)Ph)Li(2)(THF)(6) (3), and [PhP(Te)(2)CH(2)CH(2)P(Te)(2)Ph][Li(8)(OH)(6)(THF)(8)] (4). The synthetic route to these complexes proceeds via the insertion reaction of elemental chalcogens into the phosphorus-lithium bonds of 1,2-dilithio-1,2-di(phenylphosphine)ethylene (1). X-ray analysis of 2 revealed isobidentate coordination of the lithiums by the dithiophosphinate groups. In contrast, the diselenophosphinate groups in 3 coordinate the lithium centers in both isobidentate and monodentate modes, and the ditellurophosphinate groups in 4 form non-coordinate separate ion pairs. The countercation in 4 is shown to be a unique [Li(8)(OH)(6)](2+) rhombic dodecahedral polyhedron, putatively formed from the capping of a hexameric [Li(OH)](6) aggregate with lithium cations on its open faces.

Manipulating Nonlinear Emission and Cooperative Effect of CdSe/ZnS Quantum Dots by Coupling to a Silver Nanorod Complex Cavity

PubMed Central

Nan, Fan; Cheng, Zi-Qiang; Wang, Ya-Lan; Zhang, Qing; Zhou, Li; Yang, Zhong-Jian; Zhong, Yu-Ting; Liang, Shan; Xiong, Qihua; Wang, Qu-Quan

2014-01-01

Colloidal semiconductor quantum dots have three-dimensional confined excitons with large optical oscillator strength and gain. The surface plasmons of metallic nanostructures offer an efficient tool to enhance exciton-exciton coupling and excitation energy transfer at appropriate geometric arrangement. Here, we report plasmon-mediated cooperative emissions of approximately one monolayer of ensemble CdSe/ZnS quantum dots coupled with silver nanorod complex cavities at room temperature. Power-dependent spectral shifting, narrowing, modulation, and amplification are demonstrated by adjusting longitudinal surface plasmon resonance of silver nanorods, reflectivity and phase shift of silver nanostructured film, and mode spacing of the complex cavity. The underlying physical mechanism of the nonlinear excitation energy transfer and nonlinear emissions are further investigated and discussed by using time-resolved photoluminescence and finite-difference time-domain numerical simulations. Our results suggest effective strategies to design active plasmonic complex cavities for cooperative emission nanodevices based on semiconductor quantum dots. PMID:24787617

Reactivity of uranium(iii) with H2E (E = S, Se, Te): synthesis of a series of mononuclear and dinuclear uranium(iv) hydrochalcogenido complexes.

PubMed

Franke, Sebastian M; Rosenzweig, Michael W; Heinemann, Frank W; Meyer, Karsten

2015-01-01

We report the syntheses, electronic properties, and molecular structures of a series of mono- and dinuclear uranium(iv) hydrochalcogenido complexes supported by the sterically demanding but very flexible, single N-anchored tris(aryloxide) ligand ( Ad ArO) 3 N) 3- . The mononuclear complexes [(( Ad ArO) 3 N)U(DME)(EH)] (E = S, Se, Te) can be obtained from the reaction of the uranium(iii) starting material [(( Ad ArO) 3 N)U III (DME)] in DME via reduction of H 2 E and the elimination of 0.5 equivalents of H 2 . The dinuclear complexes [{(( Ad ArO) 3 N)U} 2 (μ-EH) 2 ] can be obtained by dissolving their mononuclear counterparts in non-coordinating solvents such as benzene. In order to facilitate the work with the highly toxic gases, we created concentrated THF solutions that can be handled using simple glovebox techniques and can be stored at -35 °C for several weeks.

Study of Fluorescent Imaging of Se (IV) in Living Cells Using a Turn-on Fluorescent Probe Based on a Rhodamine Spirolactame Derivative.

PubMed

Guan, Mingming; Mi, Hongyu; Xu, Hui; Fei, Qiang; Shan, Hongyan; Huan, Yanfu; Lv, Shaowu; Feng, Guodong

2017-03-01

A highly selective fluorescent probe 2-(2-(2-aminoethylamino)ethyl)-3',6'-bis(ethylamino)-2',7'-dimethylspiro[isoindoline-1,9'-xanthen]-3-one (ABDO) for Se (IV) had been synthesized in our earlier report. In this study, this fluorescent sensor is applied on analysis fluorescent imaging of Se (IV) in Hela cells. The experiment conditions, such as the MTT assay, different concentration of saline, incubated time of Hela cells with ABDO and Se (IV), and intracellular action position of Se (IV), are investigated. Through a series of experiments, the fluorescent image of Se (IV) in Hela cells can be observed when the cells cultured by 2 μM ABDO and 2 μM Se (IV) for 210 min. And the intracellular action position of Se (IV) is verified after the co-localization experiments are done. It is mitochondria. These experimental results show that ABDO will be an eagerly anticipated sensor for fluorescent imaging analysis of selenium ion in living cells. Besides, we also can use the complexes of ABDO-Se to observe morphology and distribution of mitochondria in cells like JG-B.

Precambrian evolution of the Salalah Crystalline Basement from structural analysis and 40Ar/39Ar geochronology

NASA Astrophysics Data System (ADS)

Al-Doukhi, Hanadi Abulateef

The Salalah Crystalline Basement (SCB) is the largest Precambrian exposure in Oman located on the southern margin of the Arabian Plate at the Arabian Sea shore. This work used remote sensing, detailed structural analysis and the analysis of ten samples using 40Ar/39Ar age dating to establish the Precambrian evolution of the SCB by focusing on its central and southwestern parts. This work found that the SCB evolved through four deformational events that shaped its final architecture: (1) Folding and thrusting event that resulted in the emplacement of the Sadh complex atop the Juffa complex. This event resulted in the formation of possibly N-verging nappe structure; (2) Regional folding event around SE- and SW-plunging axes that deformed the regional fabric developed during the N-verging nappe structure and produced map-scale SE- and SW-plunging antiforms shaping the complexes into a semi-dome structure; (3) Strike-slip shearing event that produced a conjugate set of NE-trending sinistral and NW-trending dextral strike-slip shear zones; and (4) Localized SE-directed gravitational collapse manifested by top-to-the-southeast kinematic indicators. Deformation within the SCB might have ceased by 752.2+/-2.7 Ma as indicated by an age given by an undeformed granite. The thermochron of samples collected throughout the SCB complexes shows a single cooling event that occurred between about 800 and 760 Ma. This cooling event could be accomplished by crustal exhumation resulting in regional collapse following the prolonged period of the contractional deformation of the SCB. This makes the SCB a possible metamorphic core complex.

3D anisotropic modeling and identification for airborne EM systems based on the spectral-element method

NASA Astrophysics Data System (ADS)

Huang, Xin; Yin, Chang-Chun; Cao, Xiao-Yue; Liu, Yun-He; Zhang, Bo; Cai, Jing

2017-09-01

The airborne electromagnetic (AEM) method has a high sampling rate and survey flexibility. However, traditional numerical modeling approaches must use high-resolution physical grids to guarantee modeling accuracy, especially for complex geological structures such as anisotropic earth. This can lead to huge computational costs. To solve this problem, we propose a spectral-element (SE) method for 3D AEM anisotropic modeling, which combines the advantages of spectral and finite-element methods. Thus, the SE method has accuracy as high as that of the spectral method and the ability to model complex geology inherited from the finite-element method. The SE method can improve the modeling accuracy within discrete grids and reduce the dependence of modeling results on the grids. This helps achieve high-accuracy anisotropic AEM modeling. We first introduced a rotating tensor of anisotropic conductivity to Maxwell's equations and described the electrical field via SE basis functions based on GLL interpolation polynomials. We used the Galerkin weighted residual method to establish the linear equation system for the SE method, and we took a vertical magnetic dipole as the transmission source for our AEM modeling. We then applied fourth-order SE calculations with coarse physical grids to check the accuracy of our modeling results against a 1D semi-analytical solution for an anisotropic half-space model and verified the high accuracy of the SE. Moreover, we conducted AEM modeling for different anisotropic 3D abnormal bodies using two physical grid scales and three orders of SE to obtain the convergence conditions for different anisotropic abnormal bodies. Finally, we studied the identification of anisotropy for single anisotropic abnormal bodies, anisotropic surrounding rock, and single anisotropic abnormal body embedded in an anisotropic surrounding rock. This approach will play a key role in the inversion and interpretation of AEM data collected in regions with anisotropic geology.

Determination of sub-ng g-1 levels of total inorganic arsenic and selenium in foods by hydride-generation atomic absorption spectrometry after pre-concentration.

PubMed

Altunay, Nail; Gürkan, Ramazan

2017-03-01

A new and simple ultrasonic-assisted extraction (UAE) procedure was developed for the determination of inorganic arsenic and selenium in foods by hydride-generation atomic absorption spectrometry (HG-AAS). The various analytical variables affecting complex formation and extraction efficiency were investigated and optimised. The method is based on selective complex formation of As(III) and Se(IV) in the presence of excess As(V) and Se(VI) with toluidine red in the presence of tartaric acid at pH 4.5, and then extraction of the resulting condensation products into the micellar phase of non-ionic surfactant, polyethylene glycol dodecyl ether, Brij 35. Under optimised conditions, good linear relationships were obtained in the ranges of 4-225 and 12-400 ng l - 1 with limits of detection of 1.1 and 3.5 ng l - 1 for As(III) and Se(IV), respectively. The repeatability was better than 3.9% for both analytes (n = 10, 25 ng l - 1 ) while reproducibility ranged from 4.2% to 4.8%. The recoveries of As(III) and Se(IV) spiked at 25-100 ng l - 1 were in the range of 94.2-104.8%. After pre-concentration of a 5.0 ml sample, the sensitivity enhancement factors for As(III) and Se(IV) were 185 and 140, respectively. Accuracy was assessed by analysis of two standard reference materials (SRMs) and spiked recovery experiments. The method was successfully applied to the accurate and reliable determination of total As and total Se by HG-AAS after pre-reduction with a mixture of L-cysteine and tartaric acid. Finally, the method was shown to be rapid and sensitive, with good results for extraction, pre-concentration and determination of total As and Se contents (as As(III) and Se(IV)) from food samples.

Selenate as a novel ligand for keplerate chemistry. New {W72Mo60} keplerates with selenates inside the cavity.

PubMed

Korenev, Vladimir S; Abramov, Pavel A; Vicent, Cristian; Zhdanov, Artem A; Tsygankova, Alphiya R; Sokolov, Maxim N; Fedin, Vladimir P

2015-05-21

The synthesis and characterization of three novel keplerate-type compounds containing the {W72Mo60} mixed-metal core are reported. Complexes (NH4)72[{W6O21(H2O)6}12{Mo2O4(SeO4)}30]·150H2O·6(NH4)2SeO4 (1a) and (NH4)25(NH2Me2)47[{W6O21(H2O)6}12{Mo2O4(SeO4)}30]·130H2O·3(NH4)2SeO4 (1b) were prepared by ligand substitution from the acetate anionic complex [{W6O21(H2O)5(CH3COO)0.5}12{Mo2O4(CH3COO)}30](48-) and selenate. The selenate anions in keplerate ions [{W6O21(H2O)6}12{Mo2O4(SeO4)}30](72-) are very labile and easily aquate with the formation of [{W6O21(H2O)6}12{Mo2O4}30(SeO4)20(H2O)20](52-), which was isolated as (NH4)20(NH2Me2)32[{W6O21(H2O)6}12{Mo2O4}30(SeO4)20(H2O)20]·150H2O (2) and structurally characterized. In the crystal structure of 2 selenate has several coordination modes, preferentially bonding to the {Mo2O4}(2+) units, and, additionally, to the {(W)W5} pentagonal blocks. The compounds have been characterized by elemental analysis, Raman, IR and (77)Se NMR spectroscopy, and by ESI mass spectrometry. Capillary electrophoresis was used for characterization of keplerates in solution for the first time.

Introducing sampling entropy in repository based adaptive umbrella sampling

NASA Astrophysics Data System (ADS)

Zheng, Han; Zhang, Yingkai

2009-12-01

Determining free energy surfaces along chosen reaction coordinates is a common and important task in simulating complex systems. Due to the complexity of energy landscapes and the existence of high barriers, one widely pursued objective to develop efficient simulation methods is to achieve uniform sampling among thermodynamic states of interest. In this work, we have demonstrated sampling entropy (SE) as an excellent indicator for uniform sampling as well as for the convergence of free energy simulations. By introducing SE and the concentration theorem into the biasing-potential-updating scheme, we have further improved the adaptivity, robustness, and applicability of our recently developed repository based adaptive umbrella sampling (RBAUS) approach [H. Zheng and Y. Zhang, J. Chem. Phys. 128, 204106 (2008)]. Besides simulations of one dimensional free energy profiles for various systems, the generality and efficiency of this new RBAUS-SE approach have been further demonstrated by determining two dimensional free energy surfaces for the alanine dipeptide in gas phase as well as in water.

Extreme anisotropy and anomalous transport properties of heavily electron doped Lix(NH3)yFe2Se2 single crystals

NASA Astrophysics Data System (ADS)

Sun, Shanshan; Wang, Shaohua; Yu, Rong; Lei, Hechang

2017-08-01

We report the growth of heavily electron doped Li-NH3 intercalated FeSe single crystals that are free of material complexities and allow access to the intrinsic superconducting properties. Lix(NH3)yFe2Se2 single crystals show extremely large electronic anisotropy in both normal and superconducting states. They also exhibit anomalous transport properties in the normal state, which are believed to possibly be related to the anisotropy of relaxation time and/or temperature-dependent electron carrier concentration. Taking into account the great chemical flexibility of intercalants in the system, our findings provide a platform to understanding the origin of superconductivity in FeSe-related superconductors.

SALT 2010 Bilingual S/E Version: A Tool for Assessing the Language Production of Bilingual (Spanish/English) Children

ERIC Educational Resources Information Center

Miller, Jon F.; Iglesias, Aquiles; Rojas, Raul

2010-01-01

Assessing the language development of bilingual children can be a challenge--too often, children in the complex process of learning both Spanish and English are under- or over-diagnosed with language disorders. SLPs can change that with "SALT 2010 Bilingual S/E Version" for grades K-3, the first tool to comprehensively assess children's language…

Characterization of craniofacial sutures using the finite element method.

PubMed

Maloul, Asmaa; Fialkov, Jeffrey; Wagner, Diane; Whyne, Cari M

2014-01-03

Characterizing the biomechanical behavior of sutures in the human craniofacial skeleton (CFS) is essential to understand the global impact of these articulations on load transmission, but is challenging due to the complexity of their interdigitated morphology, the multidirectional loading they are exposed to and the lack of well-defined suture material properties. This study aimed to quantify the impact of morphological features, direction of loading and suture material properties on the mechanical behavior of sutures and surrounding bone in the CFS. Thirty-six idealized finite element (FE) models were developed. One additional specimen-specific FE model was developed based on the morphology obtained from a µCT scan to represent the morphological complexity inherent in CFS sutures. Outcome variables of strain energy (SE) and von Mises stress (σvm) were evaluated to characterize the sutures' biomechanical behavior. Loading direction was found to impact the relationship between SE and interdigitation index and yielded varied patterns of σvm in both the suture and surrounding bone. Adding bone connectivity reduced suture strain energy and altered the σvm distribution. Incorporating transversely isotropic material properties was found to reduce SE, but had little impact on stress patterns. High-resolution µCT scanning of the suture revealed a complex morphology with areas of high and low interdigitations. The specimen specific suture model results were reflective of SE absorption and σvm distribution patterns consistent with the simplified FE results. Suture mechanical behavior is impacted by morphologic factors (interdigitation and connectivity), which may be optimized for regional loading within the CFS. © 2013 Elsevier Ltd. All rights reserved.

Soft x-ray spectroscopy of a complex heterojunction in high-efficiency thin-film photovoltaics: Intermixing and Zn speciation at the Zn(O,S)/Cu(In,Ga)Se 2 interface

DOE PAGES

Mezher, Michelle; Garris, Rebekah; Mansfield, Lorelle M.; ...

2016-11-11

In this study, the chemical structure of the Zn(O,S)/Cu(In,Ga)Se 2 interface in high-efficiency photovoltaic devices is investigated using X-ray photoelectron and Auger electron spectroscopy, as well as soft X-ray emission spectroscopy. We find that the Ga/(Ga+In) ratio at the absorber surface does not change with the formation of the Zn(O,S)/Cu(In,Ga)Se 2 interface. Furthermore, we find evidence for Zn in multiple bonding environments, including ZnS, ZnO, Zn(OH) 2, and ZnSe. We also observe dehydrogenation of the Zn(O,S) buffer layer after Ar+ ion treatment. Similar to high-efficiency CdS/Cu(In,Ga)Se 2 devices, intermixing occurs at the interface, with diffusion of Se into the buffer,more » and the formation of S—In and/or S—Ga bonds at or close to the interface.« less

pH controlled pathway and systematic hydrothermal phase diagram for elaboration of synthetic lead nickel selenites.

PubMed

Kovrugin, Vadim M; Colmont, Marie; Terryn, Christine; Colis, Silviu; Siidra, Oleg I; Krivovichev, Sergey V; Mentré, Olivier

2015-03-02

The PbO-NiO-SeO2 ternary system was fully studied using constant hydrothermal conditions at 473 K. It yields the establishment of the corresponding phase diagram using a systematic assignment of reaction products by both powder and single-crystal X-ray diffraction. It leads to the preparation of three novel lead nickel selenites, α-PbNi(SeO3)2 (I), β-PbNi(SeO3)2 (II), and PbNi2(SeO2OH)2(SeO3)2 (III), and one novel lead cobalt selenite, α-PbCo(SeO3)2 (IV), which have been structurally characterized. The crystal structures of the α-forms I, IV, and III are based on a 3D complex nickel selenite frameworks, whereas the β-PbNi(SeO3)2 modification (II) consists of nickel selenite sheets stacked in a noncentrosymmetric structure, second-harmonic generation active. The pH value of the starting solution was shown to play an essential role in the reactive processes. Magnetic measurements of I, III, and IV are discussed.

Novel red-emission of ternary ZnCdSe semiconductor nanocrystals

NASA Astrophysics Data System (ADS)

Chung, Shu-Ru; Wang, Kuan-Wen; Chen, Hong-Shuo; Chen, Hong-Hong

2015-02-01

The effect of chain lengths of fatty acids on the physical properties of CdSe and ZnCdSe semiconductor nanocrystals (NCs) synthesized by the colloidal chemistry procedure is investigated. The fatty acids, lauric acid (LA), and stearic acid (SA), with different lengths of carbon chains, are used to prepare CdSe and ZnCdSe NCs when hexyldecylamine (HDA) is applied as the sole surfactant. For CdSe-SA and ZnCdSe-SA, they have the same emission wavelength at 592 nm and the same particle size of 3.3 nm; however, their quantum yield (QY) is 75 and 16 %, respectively. In contrast, the emission wavelength of CdSe-LA and ZnCdSe-LA NCs is 609 and 615 nm, the particle size is about 3.5 and 4 nm under the same reaction time, and the QY of them are 33 and 59 %, respectively. The X-ray diffraction pattern shows that ZnCdSe NCs all have the wurtzite structure, and their main peaks are located between those of pure CdSe and ZnSe materials. The main phase of ZnCdSe-SA and ZnCdSe-LA is ZnSe and CdSe, respectively, implying that alloyed ZnCdSe NC can be prepared and ZnSe and CdSe phase can be promoted by SA and LA, respectively. Moreover, the QY of red-emission ZnCdSe-LA is higher than 50 %. These results suggest that the growth rate of CdSe as well as ZnCdSe NC can be enhanced by using LA as complex reagent and HDA as sole surfactant. It is expected that the reported effective synthetic strategy can be developed as a very practical, easy and not time-consuming approach to prepare red emissive NCs with high QY and high reproducibility.

Phloem unloading follows an extensive apoplasmic pathway in cucumber (Cucumis sativus L.) fruit from anthesis to marketable maturing stage.

PubMed

Hu, Liping; Sun, Huihui; Li, Ruifu; Zhang, Lingyun; Wang, Shaohui; Sui, Xiaolei; Zhang, Zhenxian

2011-11-01

The phloem unloading pathway remains unclear in fruits of Cucurbitaceae, a classical stachyose-transporting species with bicollateral phloem. Using a combination of electron microscopy, transport of phloem-mobile symplasmic tracer carboxyfluorescein, assays of acid invertase and sucrose transporter, and [(14)C]sugar uptake, the phloem unloading pathway was studied in cucumber (Cucumis sativus) fruit from anthesis to the marketable maturing stage. Structural investigations showed that the sieve element-companion cell (SE-CC) complex of the vascular bundles feeding fruit flesh is apparently symplasmically restricted. Imaging of carboxyfluorescein unloading showed that the dye remained confined to the phloem strands of the vascular bundles in the whole fruit throughout the stages examined. A 37 kDa acid invertase was located predominantly in the cell walls of SE-CC complexes and parenchyma cells. Studies of [(14)C]sugar uptake suggested that energy-driven transporters may be functional in sugar trans-membrane transport within symplasmically restricted SE-CC complex, which was further confirmed by the existence of a functional plasma membrane sucrose transporter (CsSUT4) in cucumber fruit. These data provide a clear evidence for an apoplasmic phloem unloading pathway in cucumber fruit. A presumption that putative raffinose or stachyose transporters may be involved in soluble sugars unloading was discussed. © 2011 Blackwell Publishing Ltd.

High performance preconcentration of inorganic Se species by dispersive micro-solid phase extraction with a nanosilica-ionic liquid hybrid material

NASA Astrophysics Data System (ADS)

Llaver, Mauricio; Coronado, Eduardo A.; Wuilloud, Rodolfo G.

2017-12-01

A highly sensitive and efficient dispersive micro-solid phase extraction (D-μ-SPE) method was developed for inorganic Se speciation analysis. A novel ionic liquid (IL)-nanomaterial hybrid consisting of 1-dodecyl-3-methylimidazolium bromide-functionalized nanosilica was used for the efficient retention of Se(IV) complexed with ammonium pyrrolidine dithiocarbamate, followed by elution with an ethyl acetate/Triton X-114 mixture and determination by electrothermal atomic absorption spectroscopy. The Se(VI) species was selectively determined by difference between total inorganic Se and Se(IV) after pre-reduction. The IL-nanomaterial hybrid was characterized by Fourier transform infrared spectroscopy and transmission electronic microscopy. Likewise, Se(IV) sorption capacity of the retention material and maximum amount of IL loaded on its surface were determined. Several factors concerning the functionalization, extraction and elution steps were optimized, yielding a 100% extraction efficiency for Se(IV) under optimal conditions. A limit of detection of 1.1 ng L- 1, a relative standard deviation of 5.7% and a 110-fold enhancement factor were obtained. The D-μ-SPE method was successfully applied to several water samples from different origins and compositions, including rain, tap, underground, river and sea.

Progress on uncooled PbSe detectors for low-cost applications

NASA Astrophysics Data System (ADS)

Vergara, German; Gomez, Luis J.; Villamayor, Victor; Alvarez, M.; Rodrigo, Maria T.; del Carmen Torquemada, Maria; Sanchez, Fernando J.; Verdu, Marina; Diezhandino, Jorge; Rodriguez, Purificacion; Catalan, Irene; Almazan, Rosa; Plaza, Julio; Montojo, Maria T.

2004-08-01

This work reports on progress on development of polycrystalline PbSe infrared detectors at the Centro de Investigacion y Desarrollo de la Armada (CIDA). Since mid nineties, the CIDA owns an innovative technology for processing uncooled MWIR detectors of polycrystalline PbSe. Based on this technology, some applications have been developed. However, future applications demand smarter, more complex, faster yet cheaper detectors. Aiming to open new perspectives to polycrystalline PbSe detectors, we are currently working on different directions: 1) Processing of 2D arrays: a) Designing and processing low density x-y addressed arrays with 16x16 and 32x32 elements, as an extension of our standard technology. b) Trying to make compatible standard CMOS and polycrystalline PbSe technologies in order to process monolithic large format arrays. 2) Adding new features to the detector such as monolithically integrated spectral discrimination.

Nematicity, magnetism and superconductivity in FeSe

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

Bohmer, Anna E.; Kreisel, Andreas

Iron-based superconductors are well known for their complex interplay between structure, magnetism and superconductivity. FeSe offers a particularly fascinating example. This material has been intensely discussed because of its extended nematic phase, whose relationship with magnetism is not obvious. Superconductivity in FeSe is highly tunable, with the superconducting transition temperature, T c, ranging from 8 K in bulk single crystals at ambient pressure to almost 40 K under pressure or in intercalated systems, and to even higher temperatures in thin films. In this topical review, we present an overview of nematicity, magnetism and superconductivity, and discuss the interplay of thesemore » phases in FeSe. We focus on bulk FeSe and the effects of physical pressure and chemical substitutions as tuning parameters. In conclusion, the experimental results are discussed in the context of the well-studied iron-pnictide superconductors and interpretations from theoretical approaches are presented.« less

Automatic map generalisation from research to production

NASA Astrophysics Data System (ADS)

Nyberg, Rose; Johansson, Mikael; Zhang, Yang

2018-05-01

The manual work of map generalisation is known to be a complex and time consuming task. With the development of technology and societies, the demands for more flexible map products with higher quality are growing. The Swedish mapping, cadastral and land registration authority Lantmäteriet has manual production lines for databases in five different scales, 1 : 10 000 (SE10), 1 : 50 000 (SE50), 1 : 100 000 (SE100), 1 : 250 000 (SE250) and 1 : 1 million (SE1M). To streamline this work, Lantmäteriet started a project to automatically generalise geographic information. Planned timespan for the project is 2015-2022. Below the project background together with the methods for the automatic generalisation are described. The paper is completed with a description of results and conclusions.

Nematicity, magnetism and superconductivity in FeSe.

PubMed

Böhmer, Anna E; Kreisel, Andreas

2018-01-17

Iron-based superconductors are well known for their complex interplay between structure, magnetism and superconductivity. FeSe offers a particularly fascinating example. This material has been intensely discussed because of its extended nematic phase, whose relationship with magnetism is not obvious. Superconductivity in FeSe is highly tunable, with the superconducting transition temperature, T c , ranging from 8 K in bulk single crystals at ambient pressure to almost 40 K under pressure or in intercalated systems, and to even higher temperatures in thin films. In this topical review, we present an overview of nematicity, magnetism and superconductivity, and discuss the interplay of these phases in FeSe. We focus on bulk FeSe and the effects of physical pressure and chemical substitutions as tuning parameters. The experimental results are discussed in the context of the well-studied iron-pnictide superconductors and interpretations from theoretical approaches are presented.

Further optimization of SeDDaRA blind image deconvolution algorithm and its DSP implementation

NASA Astrophysics Data System (ADS)

Wen, Bo; Zhang, Qiheng; Zhang, Jianlin

2011-11-01

Efficient algorithm for blind image deconvolution and its high-speed implementation is of great value in practice. Further optimization of SeDDaRA is developed, from algorithm structure to numerical calculation methods. The main optimization covers that, the structure's modularization for good implementation feasibility, reducing the data computation and dependency of 2D-FFT/IFFT, and acceleration of power operation by segmented look-up table. Then the Fast SeDDaRA is proposed and specialized for low complexity. As the final implementation, a hardware system of image restoration is conducted by using the multi-DSP parallel processing. Experimental results show that, the processing time and memory demand of Fast SeDDaRA decreases 50% at least; the data throughput of image restoration system is over 7.8Msps. The optimization is proved efficient and feasible, and the Fast SeDDaRA is able to support the real-time application.

Nematicity, magnetism and superconductivity in FeSe

NASA Astrophysics Data System (ADS)

Böhmer, Anna E.; Kreisel, Andreas

2018-01-01

Iron-based superconductors are well known for their complex interplay between structure, magnetism and superconductivity. FeSe offers a particularly fascinating example. This material has been intensely discussed because of its extended nematic phase, whose relationship with magnetism is not obvious. Superconductivity in FeSe is highly tunable, with the superconducting transition temperature, T c, ranging from 8 K in bulk single crystals at ambient pressure to almost 40 K under pressure or in intercalated systems, and to even higher temperatures in thin films. In this topical review, we present an overview of nematicity, magnetism and superconductivity, and discuss the interplay of these phases in FeSe. We focus on bulk FeSe and the effects of physical pressure and chemical substitutions as tuning parameters. The experimental results are discussed in the context of the well-studied iron-pnictide superconductors and interpretations from theoretical approaches are presented.

Nematicity, magnetism and superconductivity in FeSe

DOE PAGES

Bohmer, Anna E.; Kreisel, Andreas

2017-12-15

Iron-based superconductors are well known for their complex interplay between structure, magnetism and superconductivity. FeSe offers a particularly fascinating example. This material has been intensely discussed because of its extended nematic phase, whose relationship with magnetism is not obvious. Superconductivity in FeSe is highly tunable, with the superconducting transition temperature, T c, ranging from 8 K in bulk single crystals at ambient pressure to almost 40 K under pressure or in intercalated systems, and to even higher temperatures in thin films. In this topical review, we present an overview of nematicity, magnetism and superconductivity, and discuss the interplay of thesemore » phases in FeSe. We focus on bulk FeSe and the effects of physical pressure and chemical substitutions as tuning parameters. In conclusion, the experimental results are discussed in the context of the well-studied iron-pnictide superconductors and interpretations from theoretical approaches are presented.« less

A Computational Study of Chalcogen-containing H2 X…YF and (CH3 )2 X…YF (X=O, S, Se; Y=F, Cl, H) and Pnicogen-containing H3 X'…YF and (CH3 )3 X'…YF (X'=N, P, As) Complexes.

PubMed

McDowell, Sean A C; Buckingham, A David

2018-04-20

A computational study was undertaken for the model complexes H 2 X…YF and (CH 3 ) 2 X…YF (X=O, S, Se; Y=F, Cl, H), and H 3 X'…YF and (CH 3 ) 3 X'…YF (X'=N, P, As), at the MP2/6-311++G(d,p) level of theory. For H 2 X…YF and H 3 X'…YF, noncovalent interactions dominate the binding in order of increasing YF dipole moment, except for H 3 As…F 2 , and possibly H 3 As…ClF. However, for the methyl-substituted complexes (CH 3 ) 2 X…YF and (CH 3 ) 3 X'…YF the binding is especially strong for the complexes containing F 2 , implying significant chemical bonding between the interacting molecules. The relative stability of these complexes can be rationalized by the difference in the electronegativity of the X or X' and Y atoms. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Kinetics and equilibrium adsorption study of selenium oxyanions onto Al/Si and Fe/Si coprecipitates.

PubMed

Chan, Y T; Liu, Y T; Tzou, Y M; Kuan, W H; Chang, R R; Wang, M K

2018-05-01

Inappropriate treatments for the effluents from semiconductor plants might cause the releases and wide distributions of selenium (Se) into the ecosystems. In this study, Al/Si and Fe/Si coprecipitates were selected as model adsorbents as they often formed during the wastewater coagulation process, and the removal efficiency of selenite (SeO 3 ) and selenate (SeO 4 ) onto the coprecipitates were systematically examined. The removal efficiency of SeO 3 and SeO 4 was highly related to surface properties of Al/Si and Fe/Si coprecipitates. The surface-attached Al shell of Al/Si coprecipitates shielded a portion of negative charges from the core SiO 2 , resulting in a higher point of zero charge than that of Fe/Si coprecipitates. Thus, adsorption of SeO 3 /SeO 4 was favorable on the Al/Si coprecipitates. Adsorptions of both SeO 3 and SeO 4 on Al/Si coprecipitates were exothermic reactions. On Fe/Si coprecipitates, while SeO 3 adsorption also showed the exothermic behavior, SeO 4 adsorption occurred as an endothermic reaction. The kinetic adsorption data of SeO 3 /SeO 4 on Al/Si and Fe/Si coprecipitates were described well by the pseudo-second-order kinetic model. SeO 4 and SeO 3 adsorption on Fe/Si or Al/Si were greatly inhibited by the strong PO 4 ligand, whereas the weak ligand such as SO 4 only significantly affected SeO 4 adsorption. The weakest complex between SeO 4 and Al was implied by the essentially SeO 4 desorption as SeO 4 /PO 4 molar ratios decreased from 0.5 to 0.2. These results were further confirmed by the less SeO 4 desorption (41%) from Fe/Si coprecipitates than that from Al/Si coprecipitates (78%) while PO 4 was added sequentially. Copyright © 2018 Elsevier Ltd. All rights reserved.

SE Capstone Project: Building Systems Engineering Education and Workforce Capacity

DTIC Science & Technology

2012-04-01

This project developed a system to improve fuel efficiency by means of regenerative braking . The team designed a simple system that allows "bolt-on...air traffic control, social networking, credit/debit cards, and anti-lock brakes are only a few functions enabled by complex systems of systems . We...Building Systems Engineering Education and Workforce Capacity SE Capstone Project APRIL 2012 Report Documentation Page Form ApprovedOMB No. 0704

Lead and selenite adsorption at water–goethite interfaces from first principles

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

Leung, Kevin; Criscenti, Louise J.

Here, the complexation of toxic and/or radioactive ions on to mineral surfaces is an important topic in geochemistry. We apply periodic-boundary-conditions density functional theory (DFT) molecular dynamics simulations to examine the coordination of Pb(II),more » $${\\rm SeO}_3^{2-}$$ , and their contact ion pairs to goethite (1 0 1) and (2 1 0) surfaces. The multitude of Pb(II) adsorption sites and possibility of Pb(II)-induced FeOH deprotonation make this a complex problem. At surface sites where Pb(II) is coordinated to three FeO and/or FeOH groups, and with judicious choices of FeOH surface group protonation states, the predicted Fe–Pb distances are in good agreement with EXAFS measurements. Trajectories where Pb(II) is in part coordinated to only two surface Fe–O groups exhibit larger fluctuations in Pb–O distances. Pb(II)/$${\\rm SeO}_3^{2-}$$ contact ion pairs are at least metastable on goethite (2 1 0) surfaces if the $${\\rm SeO}_3^{2-}$$ has a monodentate Se–O–Fe bond. Our DFT-based molecular dynamics calculations are a prerequisite for calculations of finite temperature equilibrium binding constants of Pb(II) and Pb(II)/$${\\rm SeO}_3^{2-}$$ ion pairs to goethite adsorption sites.« less

Lead and selenite adsorption at water–goethite interfaces from first principles

DOE PAGES

Leung, Kevin; Criscenti, Louise J.

2017-08-04

Here, the complexation of toxic and/or radioactive ions on to mineral surfaces is an important topic in geochemistry. We apply periodic-boundary-conditions density functional theory (DFT) molecular dynamics simulations to examine the coordination of Pb(II),more » $${\\rm SeO}_3^{2-}$$ , and their contact ion pairs to goethite (1 0 1) and (2 1 0) surfaces. The multitude of Pb(II) adsorption sites and possibility of Pb(II)-induced FeOH deprotonation make this a complex problem. At surface sites where Pb(II) is coordinated to three FeO and/or FeOH groups, and with judicious choices of FeOH surface group protonation states, the predicted Fe–Pb distances are in good agreement with EXAFS measurements. Trajectories where Pb(II) is in part coordinated to only two surface Fe–O groups exhibit larger fluctuations in Pb–O distances. Pb(II)/$${\\rm SeO}_3^{2-}$$ contact ion pairs are at least metastable on goethite (2 1 0) surfaces if the $${\\rm SeO}_3^{2-}$$ has a monodentate Se–O–Fe bond. Our DFT-based molecular dynamics calculations are a prerequisite for calculations of finite temperature equilibrium binding constants of Pb(II) and Pb(II)/$${\\rm SeO}_3^{2-}$$ ion pairs to goethite adsorption sites.« less

Human MHC-II with Shared Epitope Motifs Are Optimal Epstein-Barr Virus Glycoprotein 42 Ligands-Relation to Rheumatoid Arthritis.

PubMed

Trier, Nicole; Izarzugaza, Jose; Chailyan, Anna; Marcatili, Paolo; Houen, Gunnar

2018-01-21

Rheumatoid arthritis (RA) is a chronic systemic autoimmune disorder of unknown etiology, which is characterized by inflammation in the synovium and joint damage. Although the pathogenesis of RA remains to be determined, a combination of environmental (e.g., viral infections) and genetic factors influence disease onset. Especially genetic factors play a vital role in the onset of disease, as the heritability of RA is 50-60%, with the human leukocyte antigen (HLA) alleles accounting for at least 30% of the overall genetic risk. Some HLA-DR alleles encode a conserved sequence of amino acids, referred to as the shared epitope (SE) structure. By analyzing the structure of a HLA-DR molecule in complex with Epstein-Barr virus (EBV), the SE motif is suggested to play a vital role in the interaction of MHC II with the viral glycoprotein (gp) 42, an essential entry factor for EBV. EBV has been repeatedly linked to RA by several lines of evidence and, based on several findings, we suggest that EBV is able to induce the onset of RA in predisposed SE-positive individuals, by promoting entry of B-cells through direct contact between SE and gp42 in the entry complex.

Human MHC-II with Shared Epitope Motifs Are Optimal Epstein-Barr Virus Glycoprotein 42 Ligands—Relation to Rheumatoid Arthritis

PubMed Central

Trier, Nicole; Izarzugaza, Jose; Chailyan, Anna; Marcatili, Paolo; Houen, Gunnar

2018-01-01

Rheumatoid arthritis (RA) is a chronic systemic autoimmune disorder of unknown etiology, which is characterized by inflammation in the synovium and joint damage. Although the pathogenesis of RA remains to be determined, a combination of environmental (e.g., viral infections) and genetic factors influence disease onset. Especially genetic factors play a vital role in the onset of disease, as the heritability of RA is 50–60%, with the human leukocyte antigen (HLA) alleles accounting for at least 30% of the overall genetic risk. Some HLA-DR alleles encode a conserved sequence of amino acids, referred to as the shared epitope (SE) structure. By analyzing the structure of a HLA-DR molecule in complex with Epstein-Barr virus (EBV), the SE motif is suggested to play a vital role in the interaction of MHC II with the viral glycoprotein (gp) 42, an essential entry factor for EBV. EBV has been repeatedly linked to RA by several lines of evidence and, based on several findings, we suggest that EBV is able to induce the onset of RA in predisposed SE-positive individuals, by promoting entry of B-cells through direct contact between SE and gp42 in the entry complex. PMID:29361739

A single cognitive heuristic process meets the complexity of domain-specific moral heuristics.

PubMed

Dubljević, Veljko; Racine, Eric

2014-10-01

The inherence heuristic (a) offers modest insights into the complex nature of both the is-ought tension in moral reasoning and moral reasoning per se, and (b) does not reflect the complexity of domain-specific moral heuristics. Formal and general in nature, we contextualize the process described as "inherence heuristic" in a web of domain-specific heuristics (e.g., agent specific; action specific; consequences specific).

Spectral Entropy Based Neuronal Network Synchronization Analysis Based on Microelectrode Array Measurements

PubMed Central

Kapucu, Fikret E.; Välkki, Inkeri; Mikkonen, Jarno E.; Leone, Chiara; Lenk, Kerstin; Tanskanen, Jarno M. A.; Hyttinen, Jari A. K.

2016-01-01

Synchrony and asynchrony are essential aspects of the functioning of interconnected neuronal cells and networks. New information on neuronal synchronization can be expected to aid in understanding these systems. Synchronization provides insight in the functional connectivity and the spatial distribution of the information processing in the networks. Synchronization is generally studied with time domain analysis of neuronal events, or using direct frequency spectrum analysis, e.g., in specific frequency bands. However, these methods have their pitfalls. Thus, we have previously proposed a method to analyze temporal changes in the complexity of the frequency of signals originating from different network regions. The method is based on the correlation of time varying spectral entropies (SEs). SE assesses the regularity, or complexity, of a time series by quantifying the uniformity of the frequency spectrum distribution. It has been previously employed, e.g., in electroencephalogram analysis. Here, we revisit our correlated spectral entropy method (CorSE), providing evidence of its justification, usability, and benefits. Here, CorSE is assessed with simulations and in vitro microelectrode array (MEA) data. CorSE is first demonstrated with a specifically tailored toy simulation to illustrate how it can identify synchronized populations. To provide a form of validation, the method was tested with simulated data from integrate-and-fire model based computational neuronal networks. To demonstrate the analysis of real data, CorSE was applied on in vitro MEA data measured from rat cortical cell cultures, and the results were compared with three known event based synchronization measures. Finally, we show the usability by tracking the development of networks in dissociated mouse cortical cell cultures. The results show that temporal correlations in frequency spectrum distributions reflect the network relations of neuronal populations. In the simulated data, CorSE unraveled the synchronizations. With the real in vitro MEA data, CorSE produced biologically plausible results. Since CorSE analyses continuous data, it is not affected by possibly poor spike or other event detection quality. We conclude that CorSE can reveal neuronal network synchronization based on in vitro MEA field potential measurements. CorSE is expected to be equally applicable also in the analysis of corresponding in vivo and ex vivo data analysis. PMID:27803660

Can Models Capture the Complexity of the Systems Engineering Process?

NASA Astrophysics Data System (ADS)

Boppana, Krishna; Chow, Sam; de Weck, Olivier L.; Lafon, Christian; Lekkakos, Spyridon D.; Lyneis, James; Rinaldi, Matthew; Wang, Zhiyong; Wheeler, Paul; Zborovskiy, Marat; Wojcik, Leonard A.

Many large-scale, complex systems engineering (SE) programs have been problematic; a few examples are listed below (Bar-Yam, 2003 and Cullen, 2004), and many others have been late, well over budget, or have failed: Hilton/Marriott/American Airlines system for hotel reservations and flights; 1988-1992; 125 million; "scrapped"

Theoretical study of the reactions of the hydroselenyl radical (HSe●) with the selenenic radical (HSeO●).

PubMed

Vega-Teijido, Mauricio Angel; Kieninger, Martina; Ventura, Oscar N

2017-12-05

The formation of selenium species in some biological processes involves the generation of ionic and radical intermediates such as RSe ● , RSe - , RSeO ● , and RSeO - , among others. We performed a theoretical study of the possible mechanisms for the reaction of the two simplest Se radicals-the hydroselenyl (HSe ● ) and selenenic (HSeO ● ) radicals, in which the possible products, intermediates, and transition-state structures were investigated. Density functional theory (DFT) was applied at the B3LYP/6-311++G(3df,3pd) level and the Ahlrichs Coulomb fitting basis sets were employed with an effective core potential (ECP) for both Se atoms. The same procedure was used to calculate the electronic density. All calculations were also performed using the M06-2X functional, which describes weaker bonds better than B3LYP does. In the reaction of interest, the so-called CR complex (HSe····SeOH) is formed initially. After passing through the transition state TS1, cis-HSeSeOH is obtained as a product. If a low barrier is then overcome (passing through the transition state TS32), the trans-HSeSeOH species is obtained. The CR complex can also rearrange into the intermediate INT after overcoming the barrier presented by the transition state TS2. Additionally, the decomposition of INT to H 2 O and 1 Se 2 is possible through another transition state. This reaction is not included in this study. We also observed a second possible route for the conversion of INT to one of the HSeSeOH species; this route occurs through two pathways (with transition states TS31 and TS32). A comparison of some of the results with those obtained for sulfur analogs along the same pathways is also presented in this work. Graphical abstract Electronic envelopes for HSeO ● and HSe ● radicals.

Ameliorative Effects of Dietary Selenium Against Cadmium Toxicity Is Related to Changes in Trace Elements in Chicken Kidneys.

PubMed

Zhang, Runxiang; Wang, Yanan; Wang, Chao; Zhao, Peng; Liu, Huo; Li, Jianhong; Bao, Jun

2017-04-01

The ameliorative effects of selenium (Se) against cadmium (Cd)-induced toxicity have been reported extensively. However, few studies have assessed the effects of multiple ions simultaneously on the variations of elements. In this study, the changes in Se, Cd, and 26 other element concentrations were investigated in chicken kidneys. One hundred and twenty-eight 31-week-old laying hens were fed a diet supplemented with either Se, Cd, or both Se and Cd for 90 days. The ion content was analyzed by inductively coupled plasma mass spectrometry (ICP-MS). We found that the Se, Cd, and combined Se and Cd treatments significantly affected the trace elements in the chicken kidneys. The Cd supplement caused ion profile disorders, including reduced concentrations of V, Cr, Mn, Mo, As, Ba, Hg, Ti, and Pb and increased Si, Cu, Li, Cd, and Sb. The Se supplement reduced the contents of Co, Mo, and Pb and increased the contents of Cr, Fe, and Se. Moreover, Se also increased the concentrations of Cr, Mn, Zn, and Se and decreased those of Li and Pb, which in contrast were induced by Cd. Complex interactions between elements were analyzed, and both positive and negative correlations among these elements are presented. The present study indicated that Se can help against the negative effects of Cd and may be related to the homeostasis of the trace elements in chicken kidneys.

Structural and Spectral Features of Selenium Nanospheres Produced by Se-Respiring Bacteria

USGS Publications Warehouse

Oremland, R.S.; Herbel, M.J.; Blum, J.S.; Langley, S.; Beveridge, T.J.; Ajayan, P.M.; Sutto, T.; Ellis, A.V.; Curran, S.

2004-01-01

Certain anaerobic bacteria respire toxic selenium oxyanions and in doing so produce extracellular accumulations of elemental selenium [Se(0)]. We examined three physiologically and phylogenetically diverse species of selenate- and selenite-respiring bacteria, Sulfurospirillum barnesii, Bacillus selenitireducens, and Selenihalanaerobacter shriftii, for the occurrence of this phenomenon. When grown with selenium oxyanions as the electron acceptor, all of these organisms formed extracellular granules consisting of stable, uniform nanospheres (diameter, ???300 nm) of Se(0) having monoclinic crystalline structures. Intracellular packets of Se(0) were also noted. The number of intracellular Se(0) packets could be reduced by first growing cells with nitrate as the electron acceptor and then adding selenite ions to washed suspensions of the nitrate-grown cells. This resulted in the formation of primarily extracellular Se nanospheres. After harvesting and cleansing of cellular debris, we observed large differences in the optical properties (UV-visible absorption and Raman spectra) of purified extracellular nanospheres produced in this manner by the three different bacterial species. The spectral properties in turn differed substantially from those of amorphous Se(0) formed by chemical oxidation of H2Se and of black, vitreous Se(0) formed chemically by reduction of selenite with ascorbate. The microbial synthesis of Se(0) nanospheres results in unique, complex, compacted nanostructural arrangements of Se atoms. These arrangements probably reflect a diversity of enzymes involved in the dissimilatory reduction that are subtly different in different microbes. Remarkably, these conditions cannot be achieved by current methods of chemical synthesis.

DNA adduct formation among workers in a Thai industrial estate and nearby residents.

PubMed

Peluso, Marco; Srivatanakul, Petcharin; Munnia, Armelle; Jedpiyawongse, Adisorn; Meunier, Aurelie; Sangrajrang, Suleeporn; Piro, Sara; Ceppi, Marcello; Boffetta, Paolo

2008-01-25

The genotoxic effects of air pollutant exposures have been studied in people living and working in Map Ta Phut, Rayong province, Thailand, a site where is located the Map Ta Phut Industrial Estate (MIE) one of the largest steel, refinery and petrochemical complex in the South-Eastern Asia. This was done by the conduction of a transversal study aimed to compare the prevalence of bulky DNA adducts in groups of subjects experiencing various degree of air pollution. DNA adduct analysis was performed in the leukocytes of 201 volunteers by the (32)P-postlabelling assay: 79 were workers in the MIE complex, including 24 refinery workers, 40 steel workers and 15 tinplate workers, 72 were people residing downwind in the MIE area and 50 were residents in a control district of the same Rayong province but without industrial exposures. The groups of workers were analyzed separately to evaluate if DNA adduct formation differs by the type of industry. The levels of bulky DNA adducts were 1.17+/-0.17 (SE) adducts/10(8) nucleotides in refinery workers, 1.19+/-0.19 (SE) in steel workers, 0.87+/-0.17 (SE) in tinplate workers, 0.85+/-0.07 (SE) in MIE residents and 0.53+/-0.05 (SE) in district controls. No effects of smoking habits on DNA adducts was found. The multivariate regression analysis shows that the levels of DNA adducts were significantly increased among the individuals living near the MIE industrial complex in respect to those resident in a control district (p<0.05). In the groups of occupationally exposed workers, the highest levels of DNA adducts were found among the workers experiencing an occupational exposure to polycyclic aromatic hydrocarbons, e.g. the steel factory and refinery workers. When we have evaluated if the levels of DNA adducts of the PAH exposed workers were different from those of the MIE residents, a statistical significantly difference was found (p<0.05). Our present study indicates that people living near point sources of industrial air pollution can experiment an excess of DNA adduct formation. The emissions from the MIE complex are the main source of air pollution in this area and can be the cause of such increment in the levels of DNA damage.

Spectroscopic and Density Functional Theory Studies of the Blue–Copper Site in M121SeM and C112SeC Azurin: Cu–Se Versus Cu–S Bonding

PubMed Central

Sarangi, Ritimukta; Gorelsky, Serge I.; Basumallick, Lipika; Hwang, Hee Jung; Pratt, Russell C.; Stack, T. Daniel P.; Lu, Yi; Hodgson, Keith O.; Hedman, Britt; Solomon, Edward I.

2009-01-01

S K-edge X-ray absorption, UV–vis absorption, magnetic circular dichroism (MCD), and resonance Raman spectroscopies are used to investigate the electronic structure differences among WT, M121SeM, and C112SeC Pseudomonas aeruginosa (P.a) azurin. A comparison of S K-edge XAS of WT and M121SeM azurin and a CuII–thioether model complex shows that the 38% S character in the ground state wave function of the blue–copper (BC) sites solely reflects the Cu–SCys bond. Resonance Raman (rR) data on WT and C112SeC azurin give direct evidence for the kinematic coupling between the Cu–SCys stretch and the cysteine deformation modes in WT azurin, which leads to multiple features in the rR spectrum of the BC site. The UV–vis absorption and MCD data on WT, M121SeM, and C112SeC give very similar C0/D0 ratios, indicating that the C-term MCD intensity mechanism involves Cu-centered spin–orbit coupling (SOC). The spectroscopic data combined with density functional theory (DFT) calculations indicate that SCys and SeCys have similar covalent interactions with Cu at their respective bond lengths of 2.1 and 2.3 Å. This reflects the similar electronegativites of S and Se in the thiolate/selenolate ligand fragment and explains the strong spectroscopic similarities between WT and C112SeC azurin. PMID:18314977

Aging reduces complexity of heart rate variability assessed by conditional entropy and symbolic analysis.

PubMed

Takahashi, Anielle C M; Porta, Alberto; Melo, Ruth C; Quitério, Robison J; da Silva, Ester; Borghi-Silva, Audrey; Tobaldini, Eleonora; Montano, Nicola; Catai, Aparecida M

2012-06-01

Increasing age is associated with a reduction in overall heart rate variability as well as changes in complexity of physiologic dynamics. The aim of this study was to verify if the alterations in autonomic modulation of heart rate caused by the aging process could be detected by Shannon entropy (SE), conditional entropy (CE) and symbolic analysis (SA). Complexity analysis was carried out in 44 healthy subjects divided into two groups: old (n = 23, 63 ± 3 years) and young group (n = 21, 23 ± 2). It was analyzed SE, CE [complexity index (CI) and normalized CI (NCI)] and SA (0V, 1V, 2LV and 2ULV patterns) during short heart period series (200 cardiac beats) derived from ECG recordings during 15 min of rest in a supine position. The sequences characterized by three heart periods with no significant variations (0V), and that with two significant unlike variations (2ULV) reflect changes in sympathetic and vagal modulation, respectively. The unpaired t test (or Mann-Whitney rank sum test when appropriate) was used in the statistical analysis. In the aging process, the distributions of patterns (SE) remain similar to young subjects. However, the regularity is significantly different; the patterns are more repetitive in the old group (a decrease of CI and NCI). The amounts of pattern types are different: 0V is increased and 2LV and 2ULV are reduced in the old group. These differences indicate marked change of autonomic regulation. The CE and SA are feasible techniques to detect alteration in autonomic control of heart rate in the old group.

Mononuclear Sulfido-Tungsten(V) Complexes: Completing the Tp*MEXY (M = Mo, W; E = O, S) Series.

PubMed

Sproules, Stephen; Eagle, Aston A; George, Graham N; White, Jonathan M; Young, Charles G

2017-05-01

Orange Tp*WSCl 2 has been synthesized from the reactions of Tp*WOCl 2 with boron sulfide in refluxing toluene or Tp*WS 2 Cl with PPh 3 in dichloromethane at room temperature. Mononuclear sulfido-tungsten(V) complexes, Tp*WSXY {X = Y = Cl, OPh, SPh, SePh; X = Cl, Y = OPh; XY = toluene-3,4-dithiolate (tdt), quinoxaline-2,3-dithiolate (qdt); and Tp* = hydrotris(3,5-dimethylpyrazol-1-yl)borate} were prepared by metathesis of Tp*WSCl 2 with the respective alkali metal salt of X - /XY 2- , or [NHEt 3 ] 2 (qdt). The complexes were characterized by microanalysis, mass spectrometry, electrochemistry, and infrared (IR), electron paramagnetic resonance (EPR) and electronic absorption spectroscopies. The molecular structures of Tp*WS(OPh) 2 , Tp*WS(SePh) 2 , and Tp*WS(tdt) have been determined by X-ray crystallography. The six-coordinate, distorted-octahedral W centers are coordinated by terminal sulfido (W≡S = 2.128(2) - 2.161(1) Å), terdentate facial Tp*, and monodentate/bidentate O/S/Se-donor ligands. The sulfido-W(V) complexes are characterized by lower energy electronic transitions, smaller g iso , and larger A iso ( 183 W) values, and more positive reduction potentials compared with their oxo-W(V) counterparts. This series has been probed by sulfur K-edge X-ray absorption spectroscopy (XAS), the spectra being assigned by comparison to Tp*WOXY (X = Y = SPh; XY = tdt, qdt) and time-dependent density functional theoretical (TD-DFT) calculations. This study provides insight into the electronic nature and chemistry of the catalytically and biologically important sulfido-W unit.

Extracellular polymeric substances govern the surface charge of biogenic elemental selenium nanoparticles.

PubMed

Jain, Rohan; Jordan, Norbert; Weiss, Stephan; Foerstendorf, Harald; Heim, Karsten; Kacker, Rohit; Hübner, René; Kramer, Herman; van Hullebusch, Eric D; Farges, François; Lens, Piet N L

2015-02-03

The origin of the organic layer covering colloidal biogenic elemental selenium nanoparticles (BioSeNPs) is not known, particularly in the case when they are synthesized by complex microbial communities. This study investigated the presence of extracellular polymeric substances (EPS) on BioSeNPs. The role of EPS in capping the extracellularly available BioSeNPs was also examined. Fourier transform infrared (FT-IR) spectroscopy and colorimetric measurements confirmed the presence of functional groups characteristic of proteins and carbohydrates on the BioSeNPs, suggesting the presence of EPS. Chemical synthesis of elemental selenium nanoparticles in the presence of EPS, extracted from selenite fed anaerobic granular sludge, yielded stable colloidal spherical selenium nanoparticles. Furthermore, extracted EPS, BioSeNPs, and chemically synthesized EPS-capped selenium nanoparticles had similar surface properties, as shown by ζ-potential versus pH profiles and isoelectric point measurements. This study shows that the EPS of anaerobic granular sludge form the organic layer present on the BioSeNPs synthesized by these granules. The EPS also govern the surface charge of these BioSeNPs, thereby contributing to their colloidal properties, hence affecting their fate in the environment and the efficiency of bioremediation technologies.

U(IV) chalcogenolates synthesized via oxidation of uranium metal by dichalcogenides.

PubMed

Gaunt, Andrew J; Scott, Brian L; Neu, Mary P

2006-09-04

Treatment of uranium metal with dichalcogenides in the presence of a catalytic amount of iodine in pyridine affords molecular U(IV) chalcogenolates that do not require stabilizing ancillary ligands. Oxidation of U(0) by PhEEPh yields monomeric seven-coordinate U(EPh)4(py)3 (E = S(1), Se(2)). The dimeric eight-coordinate complexes [U(EPh)2(mu2-EPh)2(CH3CN)2]2 (E = S(3), Se(4)) are obtained by crystallization from solutions of 1 and 2 dissolved in acetonitrile. Oxidation of U(0) by pySSpy and crystallization from thf yields nine-coordinate U(Spy)4(thf) (5). Incorporation of elemental selenium into the oxidation of U(0) by PhSeSePh results in the isolation of [U(py)2(SePh)(mu3-Se)(mu2-SePh)]4.4py (6), a tetrameric cluster in which each U(IV) ion is eight-coordinate and the U4Se4 core forms a distorted cube. The compounds were analyzed spectroscopically and the single-crystal X-ray structures of 1 and 3-6 were determined. The isolation of 1-6 represents six new examples of actinide chalcogenolates and allows insight into the nature of "hard" actinide ion-"soft" chalcogen donor interactions.

Development of a fountain detector for spectroscopy of secondary electrons in scanning electron microscopy

NASA Astrophysics Data System (ADS)

Agemura, Toshihide; Kimura, Takashi; Sekiguchi, Takashi

2018-04-01

The low-pass secondary electron (SE) detector, the so-called “fountain detector (FD)”, for scanning electron microscopy has high potential for application to the imaging of low-energy SEs. Low-energy SE imaging may be used for detecting the surface potential variations of a specimen. However, the detected SEs include a certain fraction of tertiary electrons (SE3s) because some of the high-energy backscattered electrons hit the grid to yield SE3s. We have overcome this difficulty by increasing the aperture ratio of the bias and ground grids and using the lock-in technique, in which the AC field with the DC offset was applied on the bias grid. The energy-filtered SE images of a 4H-SiC p-n junction show complex behavior according to the grid bias. These observations are clearly explained by the variations of Auger spectra across the p-n junction. The filtered SE images taken with the FD can be applied to observing the surface potential variation of specimens.

Biotransformation and Incorporation into Proteins along a Simulated Terrestrial Food Chain

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

Unrine, J.M., B.P. Jackson and W.A. Hopkins

2007-01-01

Selenium is an essential trace element in vertebrates, but there is a narrow concentration range between dietary requirement and toxicity threshold. Although a great deal is known about the biochemistry of Se from a nutritional perspective, considerably less attention has been focused on the specific biochemistry of Se as an environmental toxicant. Recent advances in hyphenated analytical techniques have provided the capability of quantifying specific chemical forms of Se in biological tissues as well as the distribution of Se among macromolecules. We applied liquid chromatography coupled to inductively coupled plasma mass spectrometry to investigate biotransformations of selenomethionine along a simulatedmore » terrestrial food chain consisting of selenomethionine exposed crickets (Acheta domesticus) fed to western fence lizards (Sceloporus occidentalis). Evidence was obtained for selenomethionine biotransformation as well as for sex-specific differences in the metabolism of Se compounds and their subsequent incorporation into proteins in the lizard. The results demonstrate the complexities involved in trophic transfer of Se due to the potential for extensive biotransformation and the species- and even sex-specific nature of these biotransformations.« less

Multispecies Biofilms Transform Selenium Oxyanions into Elemental Selenium Particles: Studies Using Combined Synchrotron X-ray Fluorescence Imaging and Scanning Transmission X-ray Microscopy.

PubMed

Yang, Soo In; George, Graham N; Lawrence, John R; Kaminskyj, Susan G W; Dynes, James J; Lai, Barry; Pickering, Ingrid J

2016-10-04

Selenium (Se) is an element of growing environmental concern, because low aqueous concentrations can lead to biomagnification through the aquatic food web. Biofilms, naturally occurring microbial consortia, play numerous important roles in the environment, especially in biogeochemical cycling of toxic elements in aquatic systems. The complexity of naturally forming multispecies biofilms presents challenges for characterization because conventional microscopic techniques require chemical and physical modifications of the sample. Here, multispecies biofilms biotransforming selenium oxyanions were characterized using X-ray fluorescence imaging (XFI) and scanning transmission X-ray microscopy (STXM). These complementary synchrotron techniques required minimal sample preparation and were applied correlatively to the same biofilm areas. Sub-micrometer XFI showed distributions of Se and endogenous metals, while Se K-edge X-ray absorption spectroscopy indicated the presence of elemental Se (Se 0 ). Nanoscale carbon K-edge STXM revealed the distributions of microbial cells, extracellular polymeric substances (EPS), and lipids using the protein, saccharide, and lipid signatures, respectively, together with highly localized Se 0 using the Se L III edge. Transmission electron microscopy showed the electron-dense particle diameter to be 50-700 nm, suggesting Se 0 nanoparticles. The intimate association of Se 0 particles with protein and polysaccharide biofilm components has implications for the bioavailability of selenium in the environment.

Multispecies Biofilms Transform Selenium Oxyanions into Elemental Selenium Particles: Studies Using Combined Synchrotron X-ray Fluorescence Imaging and Scanning Transmission X-ray Microscopy

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

Yang, Soo In; George, Graham N.; Lawrence, John R.

2016-10-04

Selenium (Se) is an element of growing environmental concern, because low aqueous concentrations can lead to biomagnification through the aquatic food web. Biofilms, naturally occurring microbial consortia, play numerous important roles in the environment, especially in biogeochemical cycling of toxic elements in aquatic systems. The complexity of naturally forming multispecies biofilms presents challenges for characterization because conventional microscopic techniques require chemical and physical modifications of the sample. Here, multispecies biofilms biotransforming selenium oxyanions were characterized using X-ray fluorescence imaging (XFI) and scanning transmission X-ray microscopy (STXM). These complementary synchrotron techniques required minimal sample preparation and were applied correlatively to themore » same biofilm areas. Sub-micrometer XFI showed distributions of Se and endogenous metals, while Se K-edge X-ray absorption spectroscopy indicated the presence of elemental Se (Se0). Nanoscale carbon K-edge STXM revealed the distributions of microbial cells, extracellular polymeric substances (EPS), and lipids using the protein, saccharide, and lipid signatures, respectively, together with highly localized Se0 using the Se LIII edge. Transmission electron microscopy showed the electron-dense particle diameter to be 50–700 nm, suggesting Se0 nanoparticles. The intimate association of Se0 particles with protein and polysaccharide biofilm components has implications for the bioavailability of selenium in the environment.« less

Comparative RNA-sequencing of the acarbose producer Actinoplanes sp. SE50/110 cultivated in different growth media.

PubMed

Schwientek, Patrick; Wendler, Sergej; Neshat, Armin; Eirich, Christina; Rückert, Christian; Klein, Andreas; Wehmeier, Udo F; Kalinowski, Jörn; Stoye, Jens; Pühler, Alfred

2013-08-20

Actinoplanes sp. SE50/110 is known as the producer of the alpha-glucosidase inhibitor acarbose, a potent drug in the treatment of type-2 diabetes mellitus. We conducted the first whole transcriptome analysis of Actinoplanes sp. SE50/110, using RNA-sequencing technology for comparative gene expression studies between cells grown in maltose minimal medium, maltose minimal medium with trace elements, and glucose complex medium. We first studied the behavior of Actinoplanes sp. SE50/110 cultivations in these three media and found that the different media had significant impact on growth rate and in particular on acarbose production. It was demonstrated that Actinoplanes sp. SE50/110 grew well in all three media, but acarbose biosynthesis was only observed in cultures grown in maltose minimal medium with and without trace elements. When comparing the expression profiles between the maltose minimal media with and without trace elements, only few significantly differentially expressed genes were found, which mainly code for uptake systems of metal ions provided in the trace element solution. In contrast, the comparison of expression profiles from maltose minimal medium and glucose complex medium revealed a large number of differentially expressed genes, of which the most conspicuous genes account for iron storage and uptake. Furthermore, the acarbose gene cluster was found to be highly expressed in maltose-containing media and almost silent in the glucose-containing medium. In addition, a putative antibiotic biosynthesis gene cluster was found to be similarly expressed as the acarbose cluster. Copyright © 2012 Elsevier B.V. All rights reserved.

Teleseismic shear-wave splitting in SE Tibet: Insight into complex crust and upper-mantle deformation

NASA Astrophysics Data System (ADS)

Huang, Zhouchuan; Wang, Liangshu; Xu, Mingjie; Ding, Zhifeng; Wu, Yan; Wang, Pan; Mi, Ning; Yu, Dayong; Li, Hua

2015-12-01

We measured shear-wave splitting of teleseismic XKS phases (i.e., SKS, SKKS and PKS) recorded by more than 300 temporary ChinArray stations in Yunnan of SE Tibet. The first-order pattern of XKS splitting measurements shows that the fast polarization directions (φ) change (at ∼26-27°N) from dominant N-S in the north to E-W in the south. While splitting observations around the eastern Himalayan syntax well reflect anisotropy in the lithosphere under left-lateral shear deformation, the dominant E-W φ to the south of ∼26°N is consistent with the maximum extension in the crust and suggest vertically coherent pure-shear deformation throughout the lithosphere in Yunnan. However, the thin lithosphere (<80 km) could account for only part (<0.7 s) of the observed splitting delay times (δt, 0.9-1.5 s). Anisotropy in the asthenosphere is necessary to explain the NW-SE and nearly E-W φ in these regions. The NE-SW φ can be explained by the counter flow caused by the subduction and subsequent retreat of the Burma slab. The E-W φ is consistent with anisotropy due to the absolute plate motion in SE Tibet and the eastward asthenospheric flow from Tibet to eastern China accompanying the tectonic evolution of the plateau. Our results provide new information on different deformation fields in different layers under SE Tibet, which improves our understanding on the complex geodynamics related to the tectonic uplift and southeastward expansion of Tibetan material under the plateau.

Sequential photocatalyst-assisted digestion and vapor generation device coupled with anion exchange chromatography and inductively coupled plasma mass spectrometry for speciation analysis of selenium species in biological samples.

PubMed

Tsai, Yun-ni; Lin, Cheng-hsing; Hsu, I-hsiang; Sun, Yuh-chang

2014-01-02

We have developed an on-line sequential photocatalyst-assisted digestion and vaporization device (SPADVD), which operates through the nano-TiO2-catalyzed photo-oxidation and reduction of selenium (Se) species, for coupling between anion exchange chromatography (LC) and inductively coupled plasma mass spectrometry (ICP-MS) systems to provide a simple and sensitive hyphenated method for the speciation analysis of Se species without the need for conventional chemical digestion and vaporization techniques. Because our proposed on-line SPADVD allows both organic and inorganic Se species in the column effluent to be converted on-line into volatile Se products, which are then measured directly through ICP-MS, the complexity of the procedure and the probability of contamination arising from the use of additional chemicals are both low. Under the optimized conditions for SPADVD - using 1g of nano-TiO2 per liter, at pH 3, and illuminating for 80 s - we found that Se(IV), Se(VI), and selenomethionine (SeMet) were all converted quantitatively into volatile Se products. In addition, because the digestion and vaporization efficiencies of all the tested selenicals were improved when using our proposed on-line LC/SPADVD/ICP-MS system, the detection limits for Se(IV), Se(VI), and SeMet were all in the nanogram-per-liter range (based on 3σ). A series of validation experiments - analysis of neat and spiked extracted samples - indicated that our proposed methods could be applied satisfactorily to the speciation analysis of organic and inorganic Se species in the extracts of Se-enriched supplements. Copyright © 2013. Published by Elsevier B.V.

Simultaneous leaching of arsenite, arsenate, selenite and selenate, and their migration in tunnel-excavated sedimentary rocks: II. Kinetic and reactive transport modeling.

PubMed

Tabelin, Carlito Baltazar; Sasaki, Ryosuke; Igarashi, Toshifumi; Park, Ilhwan; Tamoto, Shuichi; Arima, Takahiko; Ito, Mayumi; Hiroyoshi, Naoki

2017-12-01

Predicting the fates of arsenic (As) and selenium (Se) in natural geologic media like rocks and soils necessitates the understanding of how their various oxyanionic species behave and migrate under dynamic conditions. In this study, geochemical factors and processes crucial in the leaching and transport of arsenite (As III ), arsenate (As V ), selenite (Se IV ) and selenate (Se VI ) in tunnel-excavated rocks of marine origin were investigated using microscopic/extraction techniques, column experiments, dissolution-precipitation kinetics and one-dimensional reactive transport modeling. The results showed that evaporite salts were important because aside from containing As and Se, they played crucial roles in the evolution of pH and concentrations of coexisting ions, both of which had strong effects on adsorption-desorption reactions of As and Se species with iron oxyhydroxide minerals/phases. The observed leaching trends of As V , As III , Se IV and Se VI were satisfactorily simulated by one-dimensional reactive transport models, which predict that preferential adsorptions of As V and Se IV were magnified by geochemical changes in the columns due to water flow. Moreover, our results showed that migrations of As III , Se IV and Se VI could be predicted adequately by 1D solute transport with simple activity-K' d approach, but surface complexation was more reliable to simulate adsorption-desorption behavior of As V . Copyright © 2017 Elsevier Ltd. All rights reserved.

Rapamycin Reverses Status Epilepticus-Induced Memory Deficits and Dendritic Damage

PubMed Central

Brewster, Amy L.; Lugo, Joaquin N.; Patil, Vinit V.; Lee, Wai L.; Qian, Yan; Vanegas, Fabiola; Anderson, Anne E.

2013-01-01

Cognitive impairments are prominent sequelae of prolonged continuous seizures (status epilepticus; SE) in humans and animal models. While often associated with dendritic injury, the underlying mechanisms remain elusive. The mammalian target of rapamycin complex 1 (mTORC1) pathway is hyperactivated following SE. This pathway modulates learning and memory and is associated with regulation of neuronal, dendritic, and glial properties. Thus, in the present study we tested the hypothesis that SE-induced mTORC1 hyperactivation is a candidate mechanism underlying cognitive deficits and dendritic pathology seen following SE. We examined the effects of rapamycin, an mTORC1 inhibitor, on the early hippocampal-dependent spatial learning and memory deficits associated with an episode of pilocarpine-induced SE. Rapamycin-treated SE rats performed significantly better than the vehicle-treated rats in two spatial memory tasks, the Morris water maze and the novel object recognition test. At the molecular level, we found that the SE-induced increase in mTORC1 signaling was localized in neurons and microglia. Rapamycin decreased the SE-induced mTOR activation and attenuated microgliosis which was mostly localized within the CA1 area. These findings paralleled a reversal of the SE-induced decreases in dendritic Map2 and ion channels levels as well as improved dendritic branching and spine density in area CA1 following rapamycin treatment. Taken together, these findings suggest that mTORC1 hyperactivity contributes to early hippocampal-dependent spatial learning and memory deficits and dendritic dysregulation associated with SE. PMID:23536771

The Bashgumbaz "ophiolites" of SE Pamir (Tajikistan): time constraints for the South Pamir accretion to Eurasia

NASA Astrophysics Data System (ADS)

Zanchetta, Stefano; Worthington, James; Angiolini, Lucia; Zanchi, Andrea

2017-04-01

The Pamir belts, located NW of the Himalaya, formed in response to the Cenozoic collision and indentation of India with Eurasia. Several crustal blocks separated by complex and scarcely studied suture zones form the present day tectonic architecture of the Pamirs. The extreme crustal shortening resulted in strong deformation and bending of pre-existing Paleozoic to Mesozoic orogens. Such deformation hinders straightforward correlations between tectonic terranes of the Himalaya-Tibetan area with their potential continuations through the Pamirs into Afghanistan and Iran. Central and SE Pamir, together with Karakoram and Qiangtang blocks separated from the Gondwana margin in the Early Permian, drifted northward, following the closure of the Paleotethys and other minor oceanic branches, and diachronously collided with Northern Pamir and Tian Shan. The Central and South Pamir are now separated by the poorly known Rushan-Pshart Suture Zone. South Pamir is separated into two units: SE Pamir consists of a Permian to Cenozoic sedimentary succession; SW Pamir is instead made of gigantic basement domes that are in contact with the SE block along crustal scale detachments. In SE Pamir, intensively folded and faulted Permian and Triassic units are unconformably covered by lowermost Jurassic terrigeneous deposits, testifying for Middle to Lower Triassic tectonics related to the Cimmerian orogenic events. Along the contact between the SE and SW Pamir, a small (a few tens of km2 wide) magmatic-metasedimetary unit occurs, reported in literature as the Bashgumbaz ophiolites. They consist of a low-grade metamorphic association of serpentinized harzburgites and gabbros, minor bodies of diorite and plagiogranite, basalts and intermediate volcanic rocks, metasediments, and a flyschoid unit containing olistolithic blocks with Triassic faunas attributed to Central Pamir block. Petrographic and geochemical data suggest a supra-subduction zone affinity for the gabbroic complex. U-Th-Pb dating of zircons from a diorite provides a Carnian crystallization age. Deformation and metamorphism (up to greenschist facies) that affected the Bashgumbaz complex should therefore been placed in the Late Triassic. We suggest that the Bashgumbaz unit formed in a supra-subduction setting and was later underthrusted and then obducted onto the southern margin of the closing Rushan-Pshart ocean. The obduction of the Bashgumbaz ophiolites could be considered as a time-marker for the accretion of the South Pamir terrane to the Eurasian margin.

Optically enhanced SnO{sub 2}/CdSe core/shell nanostructures grown by sol-gel spin coating method

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

Kumar, Vijay, E-mail: vijaynadda83@gmail.com; Goswami, Y. C.; Rajaram, P.

2015-08-28

Synthesis of SnO{sub 2}/CdSe metal oxide/ chalcogenide nanostructures on glass micro slides using ultrasonic sol-gel process followed by spin coating has been reported. Stannous chloride, cadmium chloride and selenium dioxide compounds were used for Sn, Cd and Se precursors respectively. Ethylene glycol was used as complexing agent. The samples were characterized by XRD, SEM, AFM and UV-spectrophotometer. All the peaks shown in diffractograms are identified for SnO{sub 2}. Peak broadening observed in core shell due to stress behavior of CdSe lattice. Scanning electron microscope and AFM exhibits the conversion of cluster in to nanorods structures forms. Atomic force microscope showsmore » the structures in nanorods form and a roughness reduced 1.5194 nm by the deposition of CdSe. Uv Visible spectra shows a new absorption edge in the visible region make them useful for optoelectronic applications.« less

RNA adducts with Na 2SeO 4 and Na 2SeO 3 - Stability and structural features

NASA Astrophysics Data System (ADS)

Nafisi, Shohreh; Manouchehri, Firouzeh; Montazeri, Maryam

2011-12-01

Selenium compounds are widely available in dietary supplements and have been extensively studied for their antioxidant and anticancer properties. Low blood Se levels were found to be associated with an increased incidence and mortality from various types of cancers. Although many in vivo and clinical trials have been conducted using these compounds, their biochemical and chemical mechanisms of efficacy are the focus of much current research. This study was designed to examine the interaction of Na 2SeO 4 and Na 2SeO 3 with RNA in aqueous solution at physiological conditions, using a constant RNA concentration (6.25 mM) and various sodium selenate and sodium selenite/polynucleotide (phosphate) ratios of 1/80, 1/40, 1/20, 1/10, 1/5, 1/2 and 1/1. Fourier transform infrared, UV-Visible spectroscopic methods were used to determine the drug binding modes, the binding constants, and the stability of Na 2SeO 4 and Na 2SeO 3-RNA complexes in aqueous solution. Spectroscopic evidence showed that Na 2SeO 4 and Na 2SeO 3 bind to the major and minor grooves of RNA ( via G, A and U bases) with some degree of the Se-phosphate (PO 2) interaction for both compounds with overall binding constants of K(Na 2SeO 4-RNA) = 8.34 × 10 3 and K(Na 2SeO 3-RNA) = 4.57 × 10 3 M -1. The order of selenium salts-biopolymer stability was Na 2SeO 4-RNA > Na 2SeO 3-RNA. RNA aggregations occurred at higher selenium concentrations. No biopolymer conformational changes were observed upon Na 2SeO 4 and Na 2SeO 3 interactions, while RNA remains in the A-family structure.

Thermoelectric Behavior of Low Thermal Conductivity Cu-based and IV-V Chalcogenides

NASA Astrophysics Data System (ADS)

Olvera, Alan Anthony

In an ever-changing global environment, energy-related issues have become a central feature in the day-to-day conversations of the general public. A niche field that has recently made major advancements in conversion performance is thermoelectric (TE) energy conversion, where progress in material optimization has resulted in the highest efficiency thermoelectric materials to date. This includes superionic copper chalcogenides and IV-VI selenide compounds, such as Cu2Se and PbSe. Hence, this work focuses on the reliable synthesis and characterization of thermoelectric Cu-based and IV-V compounds. The electronic and optical properties of Cu-based energy conversion materials are greatly affected by synthesis-induced defects. To alleviate this issue, a novel method is developed using the topochemical redox reaction of CuSe 2 into the desired material. It is predicted that CuSe2 -serves as a sacrificial structural template for the facile synthesis of structurally related materials. This was specifically verified in the case of CuInSe 2, where CuSe2 is gradually transformed into CuInSe 2 when reacted with elemental indium. Evidently, this synthetic method is a potential avenue for new material prediction and fabrication of novel composite materials. Using the method described, a composite of CuInSe2 and the known TE material, Cu2Se, is formed. Considering the structural similarity of both compounds, the efficiency of Cu2Se is drastically increased due to enhanced carrier mobility provided by tetrahedral indium subunits. These subunits simultaneously disrupt phonon propagation which result in reduced thermal conductivity and increased TE efficiency (ZT ≈ 2.6 at 850K). More significant is the increased chemical stability of Cu2Se while under applied current and temperature. It is observed that 1 mol % indium stabilizes Cu-ion migration, encouraging the commercialization of Cu 2Se. Currently, CuAgSe is the only promising n-type Cu-based superionic TE material. Accordingly, to find a compatible material for p-type Cu2Se at high temperatures, a series of materials with the formula Cu4-xAgxSe2 were synthesized. It was found that the composition of Cu3AgSe2 ( x = 1) is a two-phase mixture at low temperatures but becomes a single-phase p-type superionic material above 440 K. On the other hand, CuAg 3Se2 (x = 3) remains a two-phase n-type mixture throughout the measured temperature range, contrary to reports of CuAg3Se2 as a single-phase high temperature material. The most important finding is the high temperature n-type behavior of CuAgSe (x = 2), which is the first instance of CuAgSe as an n-type superionic material above 470 K. It is proposed that off-stoichiometry leads to p-type behavior of CuAgSe. Moving to IV-V compounds, a detailed experimental and computational study of the material Pb7Bi4Se13 shows excellent thermoelectric properties for a non-optimized system. It behaves as an n-type material with a small band gap of about 0.23 eV, which is confirmed by band structure calculations and experimental results. It demonstrates ultralow thermal conductivity largely due to the complex atomic-scale structure and heavy constituent atoms. This results in a ZT of approximately 0.9 at 775 K, which is a promising value for further optimization. Additional results from CuSe2 structural template reactions show that several composite materials and new materials can be predicted and synthesized. This includes Cu2Se-Cu(Ga,Al)Se2 composites and new materials such as Cu(Zn,Ni)1.5Se2 and CuPb 0.75Se2. Further work in Sn-Bi-Se compounds is discussed due their complex crystal structure that may result in promising thermoelectric properties. Finally, the preliminary results of high entropy chalcogenides are presented with discussion on future development.

Dissolved constituents including selenium in waters in the vicinity of Kesterson National Wildlife Refuge and the west grassland, Fresno and Merced Counties, California

USGS Publications Warehouse

Presser, T.S.; Barnes, Ivan

1985-01-01

Analyses were made for dissolved constituents including selenium (Se) in waters associated with subsurface agricultural drainage from the western San Joaquin Valley of California. In the vicinity of Kesterson National Wildlife Refuge and the Grassland wetlands area Se was found to be mobilized in water. As a consequence of this mobility and bioaccumulation in the aquatic food chain, Se occurred in waterfowl at levels toxic enough to cause deformities and deaths. Se concentrations in sumps that collect subsurface agricultural drainage water and inflows to drains sampled, ultimately leading into Kesterson National Wildlife Refuge and the Grassland, ranged from 84 to 4200 microgram/L (ug/L) Se. Levels of Se were reduced in the San Luis Drain flowing into Kesterson National Wildlife Refute to approximately 300 ug/L Se and in three of the drains sampled flowing into the Grassland to approximately 50 ug/L Se. Serious effects on water fowl habitat were caused by both these levels. Se contents of algal mats and salt crusts from evaporation ponds of the San Luis Drain contained up to parts per million Se. Total ecosystem assessment of Se may be necessary for the evaluation of the toxicity of Se to the environment. No other trace element reported exceeded the various criteria for water at the level of magnitude of Se. Other dissolved constituents and the isotopic ratios of oxygen and hydrogen were analyzed to elucidate water types, reaction states of the aqueous solution with respect to minerals, and the origin of mixed waters. These data will be used later to evaluate the geologic source of Se. Methods used for collection and analysis are described and documented. Hydrologic effects were found to be complex. Preliminary indications from wells are also given. A historical sequence is adhered to and other data from the study area which serve as a guide to the toxicity of Se are included. (Author 's abstract)

Novel complex MAD phasing and RNase H structural insights using selenium oligonucleotides

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

Abdur, Rob; Gerlits, Oksana O.; Gan, Jianhua

2014-02-01

Selenium-derivatized oligonucleotides may facilitate phase determination and high-resolution structure determination for protein–nucleic acid crystallography. The Se atom-specific mutagenesis (SAM) strategy may also enhance the study of nuclease catalysis. The crystal structures of protein–nucleic acid complexes are commonly determined using selenium-derivatized proteins via MAD or SAD phasing. Here, the first protein–nucleic acid complex structure determined using selenium-derivatized nucleic acids is reported. The RNase H–RNA/DNA complex is used as an example to demonstrate the proof of principle. The high-resolution crystal structure indicates that this selenium replacement results in a local subtle unwinding of the RNA/DNA substrate duplex, thereby shifting the RNA scissilemore » phosphate closer to the transition state of the enzyme-catalyzed reaction. It was also observed that the scissile phosphate forms a hydrogen bond to the water nucleophile and helps to position the water molecule in the structure. Consistently, it was discovered that the substitution of a single O atom by a Se atom in a guide DNA sequence can largely accelerate RNase H catalysis. These structural and catalytic studies shed new light on the guide-dependent RNA cleavage.« less

Thermodynamics of arsenates, selenites and sulfates in the oxidation zone of sulfide ores: XII. Mineral equilibria in the Cd-Se-H2O system at 25°C

NASA Astrophysics Data System (ADS)

Charykova, M. V.; Vishnevsky, A. V.; Krivovichev, V. G.; Fokina, E. L.; Ivanova, N. M.; Platonova, N. V.; Semenova, V. V.

2016-12-01

Understanding the mechanisms of cadmium and selenium behavior under near-surface conditions is very important for solving certain environmental problems. The principal aim of this study is physicochemical analysis of the formation conditions of synthetic cadmium selenite CdSeO3 · H2O and experimental investigation of its thermal stability and dehydration and dissociation mechanisms. The synthesis was performed by boiling-dry aqueous solutions of cadmium nitrate and sodium selenite. The obtained samples were identified with electron microprobe and powder X-ray diffraction. Complex thermal analysis (thermogravimetry and differential scanning calorimetry) have shown that CdSeO3 · H2O is dehydrated at 177-241°C in two stages, apparently corresponding to the formation of CdSeO3 · 2/3H2O. The Eh-pH diagrams were calculated using the Geochemist's Workbench (GWB 9.0) software package. The Eh-pH diagrams have been calculated for the Cd-Se-H2O and Cd-Se-CO2-H2O systems for the average content of these elements in underground waters. The formation of cadmium selenite, CdSeO3 · H2O in the oxidation medium is quite possible. The existence of CdSeO3 is possible at high temperature.

Deportment of PGE and semimetals in the Volspruit deposit: the most ultramafic PGE horizon of the Bushveld Complex

NASA Astrophysics Data System (ADS)

Tanner, D.; McDonald, I.; Harmer, R. E. J.; Hughes, H. S. R.; Muir, D. D.

2017-12-01

The Volspruit deposit is a zone of disseminated magmatic sulphides carrying Ni-PGE (platinum-group element) mineralization in the Northern Limb of the Bushveld Complex, South Africa. It is one of the few known PGE prospects hosted by the lower ultramafic portion of a layered intrusion and the only known example in the Bushveld Complex. Volspruit therefore provides a unique insight into the processes governing mineralisation early in the Bushveld magmatic system. This study presents a detailed analysis from the northern portion of the Volspruit orebody combining mineralogical and textural observations with sulphide mineral trace element compositions. Electron microscopy reveals a diverse assemblage of Pt-, Pd- and Rh- dominant platinum-group minerals (PGM), electrum, Ag tellurides, Pb-chlorides, Pb-sulphides, U-oxide and monazite. Laser ablation ICP-MS has demonstrated that the Volspruit base metal sulphides have elevated PGE tenors but a range of S/Se values 1414-19319 - greater than other magmatic sulphide deposits in the northern Bushveld. The S/Se values are typical of crustal S and in agreement with previous S isotope data. These data imply a magma with initially high tenor sulphide liquid experienced local contamination from sedimentary S, leading to reduced tenors and elevated S/Se in sulphides coupled with a propensity of Pb- and Zn-bearing minerals (e.g., Pb-sulphide, Pb-chloride and sphalerite) in association with archetypal orthomagmatic sulphide assemblages. Our data demonstrate that assimilation of sedimentary rocks can modify sulphide melt evolution through the addition of metals such as Pb and Zn, not just contamination by sulphur. The Volspruit deposit illustrates the complexity of multi-stage processes governing mineralisation in the ultramafic portions of layered mafic intrusions.

Self-perception and oral health in pregnant adolescents.

PubMed

Rovida, T A Saliba; Moimaz, S A Saliba; Lima, D P; Garbin, C A Saliba

2014-09-01

To evaluate the oral health indicators by determining the experience of dental caries and periodontal disease and identification of self-perceived oral health status of pregnant adolescents and to assess the association between the studied variables. A transversal study, survey type and survey of the oral health status of 127 adolescents, 10-19 years of age, pregnant, accompanied by the Unified Health System of Araçatuba-SP was performed. The self-perceived oral health and socio-demographic data were recorded using an adapted questionnaire. The oral health statuses were analyzed using the DMFT and CPI indices in accordance with the criteria established by the WHO for epidemiological survey. Descriptive statistical analyzes and the Fisher's exact test with a significance level of 5% was performed, as well as a logistic regression analysis to verify the association between the variables. Of the total, 41.0% reported having satisfactory oral health, while 63.0% believed they had problems with their teeth and gums. The DMFT index was 12.51 (SD = 4.21). The percentage of caries-free was 6.3%, and 91.3% had periodontal problems. A statistically significant association was found between the variables: self-perceived oral health and periodontal disease p = 0.0166 and self-reported gum disease and periodontal disease p = 0.0039. Most patients considered their oral health as poor and reported having dental and gum problems, which can also be observed in the clinical examination since the caries experience of the pregnant women examined was considered high and the symptoms of periodontal disease were observed in most of the volunteers.

The Effect of Disinfection Techniques on the Flexural Strength of Thermopolymerisable Acrylic Resins With or Without Pigment Addition.

PubMed

Goiato, Marcelo Coelho; Zuccolotti, Bruna Carolina Rossatti; Haddad, Marcela Filié; Moreno, Amália; Pesqueira, Aldiéris Alves; Gennari, Humberto Filho; Dos Santos, Daniela Micheline

2015-12-01

The aim of this study was to assess the flexural strength of two brands of thermopolymerisable acrylic resins (Onda Cryl, Artigos Odontológicos Clássico Ltda, São Paulo, SP, Brazil; and Lucitone 550, Dentsply, York, PA, USA) with varying concentrations of pigment (Poli-Côr, Artigos Odontológicos Clássico Ltda, São Paulo, SP, Brazil) under the influence of thermocycling, storage and disinfection. A total of 210 samples were manufactured (105 for each acrylic resin brand), with dimensions of 64 x 10 x 3.3 mm. The samples were divided into 30 subgroups (n = 7) according to the proportion of pigment used (without pigment, 3% and 7%), the assessment period (initial or thermocycling for 2000 cycles) and disinfection method (immersion in 1% sodium hypochlorite, (Apothicário, Araçatuba, SP, Brazil), microwave energy or immersion in alkaline peroxide (Efferdent, Pfizer, Morris Plains, NJ, USA). The samples were submitted to the flexural strength test before and after thermocycling, and after storage with disinfection. The disinfection process was performed every 3 days, for 60 days. Data were submitted to analysis of variance (ANOVA) and Tukey test (p < 0.05). The factors that provided statistical alteration in flexural strength values were resin type and assessment period. The Onda Cryl resin and the period after disinfection (126 ± 25 MPa) exhibited the higher values of flexural strength. Following disinfection, Onda-Cryl resin exhibited the highest values of flexural strength. All the samples obtained are considered clinically acceptable.

Spatial distribution of deaths due to Alzheimer's disease in the state of São Paulo, Brazil.

PubMed

Almeida, Milena Cristina da Silva; Gomes, Camila de Moraes Santos; Nascimento, Luiz Fernando Costa

2014-01-01

Alzheimer's disease is a common cause of dementia and identifying possible spatial patterns of mortality due to this disease may enable preventive actions. The objective of this study was to identify spatial distribution patterns of mortality due to Alzheimer's disease in the state of São Paulo. Ecological and exploratory study conducted in all municipalities in the state of São Paulo. Data on Alzheimer's disease mortality in the state of São Paulo between 2004 and 2009 were obtained from DATASUS (the Department of Informatics in the Brazilian Ministry of Health). Death rates per 100,000 inhabitants were then calculated and spatial analysis was performed by constructing a death rate map, global Moran index and local Moran index, which were used to obtain the Moran map. The kernel technique was also applied. The Terra View 4.0.0 software was used. 13,030 deaths due to Alzheimer were reported in the state of São Paulo (rate of 5.33 deaths/100,000 inhabitants). São José do Rio Preto, Ribeirão Preto, Bauru and Araçatuba had higher rates. The Moran index was I = 0.085 (P < 0.002). The Moran map identified 42 municipalities that merit intervention and the kernel estimator identified a high density of deaths in the northwestern region of the state. Higher densities of deaths due to Alzheimer were concentrated more to the north and northwest of the state of São Paulo. It was possible to identify municipalities that have priority for interventions to reduce the death rates due to this disease.

Discovery of orbital-selective Cooper pairing in FeSe

DOE PAGES

Sprau, P. O.; Kostin, A.; Kreisel, A.; ...

2017-07-07

The superconductor iron selenide (FeSe) is of intense interest owing to its unusual nonmagnetic nematic state and potential for high-temperature superconductivity. But its Cooper pairing mechanism has not been determined. Here, we used Bogoliubov quasiparticle interference imaging to determine the Fermi surface geometry of the electronic bands surrounding the Γ = (0,0) and X = (π/a Fe, 0) points of FeSe and to measure the corresponding superconducting energy gaps. We show that both gaps are extremely anisotropic but nodeless and that they exhibit gap maxima oriented orthogonally in momentum space. Moreover, by implementing a novel technique, we demonstrate that thesemore » gaps have opposite sign with respect to each other. This complex gap configuration reveals the existence of orbital-selective Cooper pairing that, in FeSe, is based preferentially on electrons from the d yz orbitals of the iron atoms.« less

Measures of precision for dissimilarity-based multivariate analysis of ecological communities

PubMed Central

Anderson, Marti J; Santana-Garcon, Julia

2015-01-01

Ecological studies require key decisions regarding the appropriate size and number of sampling units. No methods currently exist to measure precision for multivariate assemblage data when dissimilarity-based analyses are intended to follow. Here, we propose a pseudo multivariate dissimilarity-based standard error (MultSE) as a useful quantity for assessing sample-size adequacy in studies of ecological communities. Based on sums of squared dissimilarities, MultSE measures variability in the position of the centroid in the space of a chosen dissimilarity measure under repeated sampling for a given sample size. We describe a novel double resampling method to quantify uncertainty in MultSE values with increasing sample size. For more complex designs, values of MultSE can be calculated from the pseudo residual mean square of a permanova model, with the double resampling done within appropriate cells in the design. R code functions for implementing these techniques, along with ecological examples, are provided. PMID:25438826

Discovery of orbital-selective Cooper pairing in FeSe

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

Sprau, P. O.; Kostin, A.; Kreisel, A.

The superconductor iron selenide (FeSe) is of intense interest owing to its unusual nonmagnetic nematic state and potential for high-temperature superconductivity. But its Cooper pairing mechanism has not been determined. Here, we used Bogoliubov quasiparticle interference imaging to determine the Fermi surface geometry of the electronic bands surrounding the Γ = (0,0) and X = (π/a Fe, 0) points of FeSe and to measure the corresponding superconducting energy gaps. We show that both gaps are extremely anisotropic but nodeless and that they exhibit gap maxima oriented orthogonally in momentum space. Moreover, by implementing a novel technique, we demonstrate that thesemore » gaps have opposite sign with respect to each other. This complex gap configuration reveals the existence of orbital-selective Cooper pairing that, in FeSe, is based preferentially on electrons from the d yz orbitals of the iron atoms.« less

Influence of acid and alkaline sources on optical, structural and photovoltaic properties of CdSe nanoparticles precipitated from aqueous solution

NASA Astrophysics Data System (ADS)

Coria-Monroy, C. Selene; Sotelo-Lerma, Mérida; Hu, Hailin

2016-06-01

CdSe is a widely researched material for photovoltaic applications. One of the most important parameters of the synthesis is the pH value, since it determines the kinetics and the mechanism of the reaction and in consequence, the optical and morphological properties of the products. We present the synthesis of CdSe in solution with strict control of pH and the comparison of ammonia and KOH as alkaline sources and diluted HCl as acid medium. CdSe formation was monitored with photoluminescence emission spectra (main peak in 490 nm, bandgap of CdSe nanoparticles). XRD patterns indicated that CdSe nanoparticles are mainly of cubic structure for ammonia and HCl, but the hexagonal planes appear with KOH. Product yield decreases with pH and also decreases with KOH at constant pH value since ammonia has a double function, as complexing agent and alkaline source. Changes in morphology were observed in SEM images as well with the different alkaline source. The effect of alkaline sources on photovoltaic performance of hybrid organic solar cells with CdSe and poly(3-hexylthiophene) as active layers was clearly observed, indicating the importance of synthesis conditions on optoelectronic properties of promising semiconductor nanomaterials for solar cell applications.

The role of chromatin modifications in somatic embryogenesis in plants

PubMed Central

De-la-Peña, Clelia; Nic-Can, Geovanny I.; Galaz-Ávalos, Rosa M.; Avilez-Montalvo, Randy; Loyola-Vargas, Víctor M.

2015-01-01

Somatic embryogenesis (SE) is a powerful tool for plant genetic improvement when used in combination with traditional agricultural techniques, and it is also an important technique to understand the different processes that occur during the development of plant embryogenesis. SE onset depends on a complex network of interactions among plant growth regulators, mainly auxins and cytokinins, during the proembryogenic early stages, and ethylene and gibberellic and abscisic acids later in the development of the somatic embryos. These growth regulators control spatial and temporal regulation of multiple genes in order to initiate change in the genetic program of somatic cells, as well as moderating the transition between embryo developmental stages. In recent years, epigenetic mechanisms have emerged as critical factors during SE. Some early reports indicate that auxins and in vitro conditions modify the levels of DNA methylation in embryogenic cells. The changes in DNA methylation patterns are associated with the regulation of several genes involved in SE, such as WUS, BBM1, LEC, and several others. In this review, we highlight the more recent discoveries in the understanding of the role of epigenetic regulation of SE. In addition, we include a survey of different approaches to the study of SE, and new opportunities to focus SE studies. PMID:26347757

Algorithm for detection the QRS complexes based on support vector machine

NASA Astrophysics Data System (ADS)

Van, G. V.; Podmasteryev, K. V.

2017-11-01

The efficiency of computer ECG analysis depends on the accurate detection of QRS-complexes. This paper presents an algorithm for QRS complex detection based of support vector machine (SVM). The proposed algorithm is evaluated on annotated standard databases such as MIT-BIH Arrhythmia database. The QRS detector obtained a sensitivity Se = 98.32% and specificity Sp = 95.46% for MIT-BIH Arrhythmia database. This algorithm can be used as the basis for the software to diagnose electrical activity of the heart.

Multiferroic behavior in CdCr2X4(X=S,Se)

NASA Astrophysics Data System (ADS)

Hemberger, J.; Lunkenheimer, P.; Fichtl, R.; Weber, S.; Tsurkan, V.; Loidl, A.

2006-05-01

The recently discovered multiferroic material CdCr2S4 shows a coexistence of ferromagnetism and relaxor ferroelectricity together with a colossal magnetocapacitive effect. The complex dielectric permittivity of this compound and of the structurally related CdCr2Se4 was studied by means of broadband dielectric spectroscopy using different electrode materials. The observed magnetocapacitive coupling at the magnetic transition is driven by enormous changes of the relaxation dynamics induced by the development of magnetic order.

234U/238U as a ground-water tracer, SW Nevada-SE California

USGS Publications Warehouse

Ludwig, K. R.; Peterman, Z.E.; Simmons, K.R.; Gutentag, E.D.

1993-01-01

The 234U/238U ratio of uranium in oxidizing ground waters is potentially an excellent ground-water tracer because of its high solubility and insensitivity to chemical reactions. Moreover, recent advances in analytical capability have made possible very precise uranium-isotopic analyses on modest (approx.100 ml) amounts of normal ground water. Preliminary results on waters from SW Nevada/Se California indicate two main mixing trends, but in detail indicate significant complexity requiring three or more main components.

View SE of threestory steel and brick building. Part of ...

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

View SE of three-story steel and brick building. Part of large complex of buildings along Milwaukee Ave. (1920, 1950, & 1960 Milwaukee Ave. E) that is attached to the back of 1891 Trombly Ave. Openings on first floor are bricked up; second floor rectangular widows on the street facade are framed by an arched brick pattern. One brick course protrudes to form a cornice line between the second and third floors - 1900 East Milwaukee (Industrial Building), Detroit, Wayne County, MI

Photogeologic maps of the Iris SE and Doyleville SW quadrangles, Saguache County, Colorado

USGS Publications Warehouse

McQueen, Kathleen

1957-01-01

The Iris SE and Doyleville SW quadrangles, Saguache County, Colorado include part ot the Cochetopa mining district. Photogeologic maps of these quadrangles show the distribution of sedimentary rocks of Jurassic and Cretaceous age; precambrian granite, schist, and gneiss; and igneous rocks of Tertiary age. Sedimentary rocks lie on an essentially flat erosion surface on Precambrian rocks. Folds appear to be absent but faults present an extremely complex structural terrane. Uraniferous deposits occur at fault intersections in Precambriam and Mesozoic rocks.

Nickel complexes of o-amidochalcogenophenolate(2-)/o-iminochalcogenobenzosemiquinonate(1-) pi-radical: synthesis, structures, electron spin resonance, and x-ray absorption spectroscopic evidence.

PubMed

Hsieh, Chung-Hung; Hsu, I-Jui; Lee, Chien-Ming; Ke, Shyue-Chu; Wang, Tze-Yuan; Lee, Gene-Hsiang; Wang, Yu; Chen, Jin-Ming; Lee, Jyh-Fu; Liaw, Wen-Feng

2003-06-16

The preparation of complexes trans-[Ni(-SeC(6)H(4)-o-NH-)(2)](-) (1), cis-[Ni(-TeC(6)H(4)-o-NH-)(2)](-) (2), trans-[Ni(-SC(6)H(4)-o-NH-)(2)](-) (3), and [Ni(-SC(6)H(4)-o-S-)(2)](-) (4) by oxidative addition of 2-aminophenyl dichalcogenides to anionic [Ni(CO)(SePh)(3)](-) proves to be a successful approach in this direction. The cis arrangement of the two tellurium atoms in complex 2 is attributed to the intramolecular Te.Te contact interaction (Te.Te contact distance of 3.455 A). The UV-vis electronic spectra of complexes 1 and 2 exhibit an intense absorption at 936 and 942 nm, respectively, with extinction coefficient epsilon > 10000 L mol(-)(1) cm(-)(1). The observed small g anisotropy, the principal g values at g(1) = 2.036, g(2) = 2.062, and g(3) = 2.120 for 1 and g(1) = 2.021, g(2) = 2.119, and g(3) = 2.250 for 2, respectively, indicates the ligand radical character accompanied by the contribution of the singly occupied d orbital of Ni(III). The X-ray absorption spectra of all four complexes show L(III) peaks at approximately 854.5 and approximately 853.5 eV. This may indicate a variation of contribution of the Ni(II)-Ni(III) valence state. According to the DFT calculation, the unpaired electron of complex 1 and 2 is mainly distributed on the 3d(xz)() orbital of the nickel ion and on the 4p(z)() orbital of selenium (tellurium, 5p(z)()) as well as the 2p(z)() orbital of nitrogen of the ligand. On the basis of X-ray structural data, UV-vis absorption, electron spin resonance, magnetic properties, DFT computation, and X-ray absorption (K- and L-edge) spectroscopy, the monoanionic trans-[Ni(-SeC(6)H(4)-o-NH-)(2)](-) and cis-[Ni(-TeC(6)H(4)-o-NH-)(2)](-) complexes are appositely described as a resonance hybrid form of Ni(III)-bis(o-amidochalcogenophenolato(2-)) and Ni(II)-(o-amidochalcogenophenolato(2-))-(o-iminochalcogenobenzosemiquinonato(1-) pi-radical; i.e., complexes 1 and 2 contain delocalized oxidation levels of the nickel ion and ligands.

Topologically and geometrically flexible structural units in seven new organically templated uranyl selenates and selenite–selenates

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

Gurzhiy, Vladislav V., E-mail: vladgeo17@mail.ru; Kovrugin, Vadim M.; Tyumentseva, Olga S.

2015-09-15

Single crystals of seven novel uranyl oxysalts of selenium with protonated methylamine molecules, [C{sub 2}H{sub 8}N]{sub 2}[(UO{sub 2})(SeO{sub 4}){sub 2}(H{sub 2}O)] (I), [C{sub 2}H{sub 8}N]{sub 2}[(UO{sub 2}){sub 2}(SeO{sub 4}){sub 3}(H{sub 2}O)] (II), [C{sub 4}H{sub 15}N{sub 3}][H{sub 3}O]{sub 0.5}[(UO{sub 2}){sub 2}(SeO{sub 4}){sub 2.93}(SeO{sub 3}){sub 0.07}(H{sub 2}O)](NO{sub 3}){sub 0.5} (III), [C{sub 2}H{sub 8}N]{sub 3}[H{sub 5}O{sub 2}][(UO{sub 2}){sub 2}(SeO{sub 4}){sub 3}(H{sub 2}O){sub 2}]{sub 2}(H{sub 2}O){sub 5} (IV), [C{sub 2}H{sub 8}N]{sub 2}[H{sub 3}O][(UO{sub 2}){sub 3}(SeO{sub 4}){sub 4}(HSeO{sub 3})(H{sub 2}O)](H{sub 2}SeO{sub 3}){sub 0.2} (V), [C{sub 4}H{sub 12}N]{sub 3}[H{sub 3}O][(UO{sub 2}){sub 3}(SeO{sub 4}){sub 5}(H{sub 2}O)] (VI), and [C{sub 2}H{sub 8}N]{sub 3}(C{sub 2}H{sub 7}N)[(UO{sub 2}){sub 3}(SeO{sub 4}){submore » 4}(HSeO{sub 3})(H{sub 2}O)] (VII) have been prepared by isothermal evaporation from aqueous solutions. Their crystal structures have been solved by direct methods and their uranyl selenate and selenite–selenate units investigated using black-and-white graphs from the viewpoints of topology of interpolyhedral linkages and isomeric variations. The crystal structure of IV is based upon complex layers with unique topology, which has not been observed previously in uranyl selenates. Investigations of the statistics and local distribution of the U–O{sub br}–Se bond angles demonstrates that shorter angles associate with undulations, whereas larger angles correspond to planar areas of the uranyl selenite layers. - Graphical abstract: Crystal structures of the seven novel Se-contaning uranyl oxysalts that contain protonated organic molecules as interlayer species have been investigated from the viewpoints of topology of interpolyhedral linkages, isomeric variations and flexibility of structural units. - Highlights: • Single crystals of seven novel uranyl oxysalts were prepared by evaporation method. • The graph theory was used for investigation of topologies of structural units. • The method of orientation matrices was applied to distinguish geometrical isomers. • The flexibility of structural complexes specifies the undulation of layered structural units.« less

Hydrothermal assisted growth of CdSe nanoparticles and study on its dielectric properties

NASA Astrophysics Data System (ADS)

Jamble, Shweta N.; Ghoderao, Karuna P.; Kale, Rohidas B.

2017-11-01

In this work, we have synthesized cadmium selenide (CdSe) nanoparticles by using cadmium chloride (CdCl2) as cadmium ion and sodium selenosulfate (Na2SeSO3) as selenium ion sources through a simple, convenient and cost-effective hydrothermal route at 180 °C temperature for 24 h. Aqueous ammonia was employed as a complex reagent to adjust the pH of the solution. Structural analysis of the obtained product was carried out by using x-ray diffractometer, which revealed that the final product has a cubic structure of CdSe with average crystallite size 13.15 nm. The cauliflower-like CdSe nanostructures were confirmed from the scanning electron microscopy and high-resolution transmission electron microscopy. EDS analysis indicates that the obtained product has a good elemental stoichiometric ratio. The electron diffraction pattern reveals the polycrystalline nature of CdSe. From UV-visible absorption spectral analysis, the optical energy bandgap of CdSe nanoparticles was found to be 1.90 eV. XPS spectra presented Cd 3d3/2, Cd 3d5/2 and Se 3d3/2 peaks at 411.04, 404.29 and 53.52 eV respectively. The CdSe nanoparticles exhibit photoluminescence with two distinct emission bands at 632 nm and 720 nm. FTIR study was used towards the understanding of the formation mechanism and bonding on the surface of the resulting nanoparticles. The dielectric properties of a pelletized sample of CdSe nanoparticles were carried out at room temperature.

Paramagnetic oxotungsten(V) complexes containing the hydrotris(3,5-dimethylpyrazol-1-yl)borate ligand.

PubMed

Sproules, Stephen; Eagle, Aston A; Taylor, Michelle K; Gable, Robert W; White, Jonathan M; Young, Charles G

2011-05-16

Sky-blue Tp*WOCl(2) has been synthesized from the high-yielding reaction of Tp*WO(2)Cl with boron trichloride in refluxing toluene. Dark-red Tp*WOI(2) was prepared via thermal decarbonylation followed by aerial oxidation of Tp*WI(CO)(3) in acetonitrile. From these precursors, an extensive series of mononuclear tungstenyl complexes, Tp*WOXY [X = Cl(-), Y = OPh(-), SPh(-); X = Y = OPh(-), 2-(n-propyl)phenolate (PP(-)), SPh(-), SePh(-); XY = toluene-3,4-dithiolate (tdt(2-)), quinoxaline-2,3-dithiolate (qdt(2-)), benzene-1,2-diselenolate (bds(2-)); Tp* = hydrotris(3,5-dimethylpyrazol-1-yl)borate], was prepared by metathesis with the respective alkali-metal salt of X(-)/XY(2-) or (NHEt(3))(2)(qdt). The complexes were characterized by microanalysis, mass spectrometry, electrochemistry, IR, electron paramagnetic resonance (EPR), and electronic absorption spectroscopies, and X-ray crystallography (for X = Y = OPh(-), PP(-), SPh(-); XY = bds(2-)). The six-coordinate, distorted-octahedral tungsten centers are coordinated by terminal oxo [W≡O = 1.689(6)-1.704(3) Å], tridentate Tp*, and monodentate or bidentate O/S/Se-donor ligands. Spin Hamiltonian parameters derived from the simulation of fluid-solution X-band EPR spectra revealed that the soft-donor S/Se ligand complexes had larger g values and smaller (183)W hyperfine coupling constants than the less covalent hard-donor O/Cl species. The former showed low-energy ligand-to-metal charge-transfer bands in the near-IR region of their electronic absorption spectra. These oxotungsten(V) complexes display lower reduction potentials than their molybdenum counterparts, underscoring the preference of tungsten for higher oxidation states. Furthermore, the protonation of the pyrazine nitrogen atoms of the qdt(2-) ligand has been examined by spectroelectrochemistry; the product of the one-electron reduction of [Tp*WO(qdtH)](+) revealed usually intense low-energy bands.

Protective effects of selenium on mercury induced immunotoxic effects in mice by way of concurrent drinking water exposure.

PubMed

Li, Xuan; Yin, Daqiang; Li, Jiang; Wang, Rui

2014-07-01

Selenium (Se) has been recognized as one key to understanding mercury (Hg) exposure risks. To explore the effects of Se on Hg-induced immunotoxicity, female Balb/c mice were exposed to HgCl2- or MeHgCl-contaminated drinking water (0.001, 0.01, and 0.1 mM as Hg) with coexisting Na2SeO3 at different Se/Hg molar ratios (0:1, 1/3:1, 1:1 and 3:1). The potential immunotoxicity induced by Na2SeO3 exposure alone (by way of drinking water) was also determined within a wide range of concentrations. After 14 days' exposure, the effects of Hg or Se on the immune system of Balb/c mice were investigated by determining the proliferation of T and B lymphocytes and the activity of natural killer cells. Hg exposure alone induced a dose-dependent suppression effect, whereas Se provided promotion effects at low exposure level (<0.01 mM) and inhibition effects at high exposure level (>0.03 mM). Under Hg and Se coexposure condition, the effects on immunotoxicity depended on the Hg species, Se/Hg ratio, and exposure concentration. At low Hg concentration (0.001 mM), greater Se ingestion exhibited stronger protective effects on Hg-induced suppression effect mainly by way of decreasing Hg concentrations in target organs. At greater Hg concentration (0.01 and 0.1 mM), immunotoxicity induced by Se (>0.03 mM) became evident, and the protective effects appeared more significant at an Se/Hg molar ratio of 1:1. The complex antagonistic effects between Se and Hg suggested that both Se/Hg molar ratio and concentration should be considered when evaluating the potential health risk of Hg-contaminated biota.

Pressure-Photoluminescence Study of the Zn Vacancy and Donor Zn-Vacancy Complexes in ZnSe

NASA Astrophysics Data System (ADS)

Iota, V.; Weinstein, B. A.

1997-03-01

We report photoluminescence (PL) results to 65kbar (at 8K) on n-type electron irradiated ZnSe containing high densities of isolated Zn vacancies (V_Zn) and donor-V_Zn complexes (A-centers).^1 Isotropic pressure is applied using a diamond-anvil cell with He medium, and laser excitations above and below the ZnSe bandgap (2.82eV) are employed. The 1 atm. spectra exhibit excitonic lines, shallow donor-acceptor pair (DAP) peaks, and two broad bands due to DAP transitions between shallow donors and deep acceptor states at A-centers (2.07eV) or V_Zn (1.72eV). At all pressures, these broad bands are prominent only for sub-gap excitation, which results in: i) A-center PL at energies above the laser line, and ii) strong enhancement of the first LO-replica in the shallow DAP series compared to 3.41eV UV excitation. This suggests that sub-gap excitation produces long-lived metastable acceptor states. The broad PL bands shift to higher energy with pressure faster than the ZnSe direct gap, indicating that compression causes the A-center and V_Zn deep acceptor levels to approach the hole continuum. This behavior is similar to that found by our group for P and As deep acceptor levels in ZnSe, supporting the view that deep substitutional defects often resemble the limiting case of a vacancy. ^1D. Y. Jeon, H. P. Gislason, G. D. Watkins Phys. Rev. B 48, 7872 (1993); we thank G. D. Watkins for providing the samples. (figures)

Kinetics studies of the reactions of main fourth-period monocations (Ga+, Ge+, As+, and Se+) with methyl fluoride.

PubMed

Barrientos, Carmen; Rayón, Víctor Manuel; Largo, Antonio; Sordo, José Ángel; Redondo, Pilar

2013-08-22

Thermodynamics and kinetics theoretical studies on the gas-phase reactions of fluoromethane with main fourth-period monocations (Ga(+), Ge(+), As(+), and Se(+)) have been carried out. Density functional theory (in particular mPW1K functional) was employed in the description of the potential energy surfaces, and refinement of the energies were done at the CCSD(T) level. The reaction rate constants were estimated using variational/conventional microcanonical transition state theory. From a thermodynamic viewpoint, the fluorine abstraction product is predicted for Ga(+) and Ge(+), whereas for As(+) and Se(+) the elimination product, MCH2(+) (M = As, Se) + HF, is the preferred one. Nevertheless, the most favorable channel for the reactions of CH3F with Ga(+) and Se(+) cations present a net activation barrier. In the case of Ga(+), the reaction proceeds via an addition channel forming the adduct complex, CH3FGa(+), whereas for Se(+) no reaction is found, in agreement with the experiments. The predicted reaction rate constants are in reasonable good agreement with the experimental values available. Apart from the harpoon-like mechanism, our results suggest that an oxidative addition mechanism seems to play a relevant role.

Fluorescent CdSe QDs containing Bacillus licheniformis bioprobes for Copper (II) detection in water.

PubMed

Yan, Zheng-Yu; Du, Qing-Qing; Wan, Dong-Yu; Lv, Hang; Cao, Zhi-Ran; Wu, Sheng-Mei

2017-12-01

Quantum dots (QDs) are semiconductor nanoparticles (NPs) that offer valuable functionality for cellular labeling, drug delivery, solar cells and quantum computation. In this study, we reported that CdSe QDs could be bio-synthesized in Bacillus licheniformis. After optimization, the obtained CdSe QDs exhibited a uniform particle size of 3.71±0.04nm with a maximum fluorescence emission wavelength at 550nm and the synthetical positive ratio can reach up to 87%. Spectral properties, constitution, particle sizes and crystalline phases of the CdSe QDs were systematically and integrally investigated. The CdSe QD-containing Bacillus licheniformis cells were further used as whole fluorescent bio-probes to detect copper (II) (Cu 2+ ) in water, which demonstrated a low limit of detection (0.91μM). The assay also showed a good selectivity for Cu 2+ over other ions including Al 3+ , Cd 2+ , Mg 2+ , K + , Na + , NH 4 + , Zn 2+ , CH 3 COO + , Pb 2+ and I - . Our study suggests the fluorescent CdSe QDs-containing Bacillus licheniformis bio-probes as a promising approach for detection of Cu 2+ in complex solution environment. Copyright © 2017. Published by Elsevier Inc.

Thin-film Sb2Se3 photovoltaics with oriented one-dimensional ribbons and benign grain boundaries

NASA Astrophysics Data System (ADS)

Zhou, Ying; Wang, Liang; Chen, Shiyou; Qin, Sikai; Liu, Xinsheng; Chen, Jie; Xue, Ding-Jiang; Luo, Miao; Cao, Yuanzhi; Cheng, Yibing; Sargent, Edward H.; Tang, Jiang

2015-06-01

Solar cells based on inorganic absorbers, such as Si, GaAs, CdTe and Cu(In,Ga)Se2, permit a high device efficiency and stability. The crystals’ three-dimensional structure means that dangling bonds inevitably exist at the grain boundaries (GBs), which significantly degrades the device performance via recombination losses. Thus, the growth of single-crystalline materials or the passivation of defects at the GBs is required to address this problem, which introduces an added processing complexity and cost. Here we report that antimony selenide (Sb2Se3)—a simple, non-toxic and low-cost material with an optimal solar bandgap of ˜1.1 eV—exhibits intrinsically benign GBs because of its one-dimensional crystal structure. Using a simple and fast (˜1 μm min-1) rapid thermal evaporation process, we oriented crystal growth perpendicular to the substrate, and produced Sb2Se3 thin-film solar cells with a certified device efficiency of 5.6%. Our results suggest that the family of one-dimensional crystals, including Sb2Se3, SbSeI and Bi2S3, show promise in photovoltaic applications.

Selenium bioaccumulation and body condition in shorebirds and terns breeding in San Francisco Bay, California, USA

USGS Publications Warehouse

Ackerman, Joshua T.; Eagles-Smith, Collin A.

2009-01-01

The present study evaluated Se bioaccumulation in four waterbird species (n = 206 birds) that breed within San Francisco Bay, California, USA: American avocets (Recurvirostra americana), black-necked stilts (Himantopus mexicanus), Forster's terns (Sterna forsteri), and Caspian terns (Hydroprogne caspia). Selenium concentrations were variable and influenced by several factors, including species, region, reproductive stage, age, and sex. Adult Se concentrations (μg/g dry wt) in livers ranged from 3.07 to 48.70 in avocets (geometric mean ± standard error, 7.92 ± 0.64), 2.28 to 41.10 in stilts (5.29 ± 0.38), 3.73 to 14.50 in Forster's terns (7.13 ± 0.38), and 4.77 to 14.40 in Caspian terns (6.73 ± 0.78). Avocets had higher Se concentrations in the North Bay compared to the South Bay, whereas stilt Se concentrations were similar between these regions and Forster's terns had lower Se concentrations in the North Bay compared to the South Bay. Female avocets had higher Se concentrations than male avocets, but this was not the case for stilts and Forster's terns. Of the factors assessed, reproductive stage had the most consistent effect among species. Prebreeding birds tended to have higher liver Se concentrations than breeding birds, but this trend was statistically significant only for Forster's terns. Forster's tern chicks had lower Se concentrations than Forster's tern adults, whereas avocet and stilt adults and chicks were similar. Additionally, body condition was negatively related to liver Se concentrations in Forster's tern adults but not in avocet, stilt, or Caspian tern adults and chicks. These variable results illustrate the complexity of Se bioaccumulation and highlight the need to sample multiple species and examine several factors to assess the impact of Se on wildlife.

Predicted facies, sedimentary structures and potential resources of Jurassic petroleum complex in S-E sWestern Siberia (based on well logging data)

NASA Astrophysics Data System (ADS)

Prakojo, F.; Lobova, G.; Abramova, R.

2015-11-01

This paper is devoted to the current problem in petroleum geology and geophysics- prediction of facies sediments for further evaluation of productive layers. Applying the acoustic method and the characterizing sedimentary structure for each coastal-marine-delta type was determined. The summary of sedimentary structure characteristics and reservoir properties (porosity and permeability) of typical facies were described. Logging models SP, EL and GR (configuration, curve range) in interpreting geophysical data for each litho-facies were identified. According to geophysical characteristics these sediments can be classified as coastal-marine-delta. Prediction models for potential Jurassic oil-gas bearing complexes (horizon J11) in one S-E Western Siberian deposit were conducted. Comparing forecasting to actual testing data of layer J11 showed that the prediction is about 85%.

Evolution of opto-electronic properties during film formation of complex semiconductors

NASA Astrophysics Data System (ADS)

Heinemann, M. D.; Mainz, R.; Österle, F.; Rodriguez-Alvarez, H.; Greiner, D.; Kaufmann, C. A.; Unold, T.

2017-04-01

Optical and electrical properties of complex semiconducting alloys like Cu(In,Ga)Se2 (CIGS) are strongly influenced by the reaction pathways occurring during their deposition process. This makes it desirable to observe and control these properties in real-time during the deposition. Here we show for the first time the evolution of the band gap and the sub-band-gap defect absorption of CIGS thin film as well as surface roughness during a three-stage co-evaporation process by means of an optical analysis technique, based on white light reflectometry (WLR). By simultaneously recording structural information with in-situ energy dispersive X-ray diffraction and X-ray fluorescence we can directly correlate the evolution of opto-electronic material parameters with the structural properties of the film during growth. We find that the surface roughness and the sub-gap light absorption can be correlated with the phase evolution during the transformation from (In,Ga)2Se3 to Cu(In,Ga)Se2 by the incorporation of Cu into the film. Sub-bandgap light absorption is found to be influenced by the Cu-saturated growth phase and is lowered close to the points of stoichiometry, allowing for an advanced process design.

Al cation induces aggregation of serum proteins.

PubMed

Chanphai, P; Kreplak, L; Tajmir-Riahi, H A

2017-07-15

Al cation is known to induce protein fibrillation and causes several neurodegenerative disorders. We report the spectroscopic, thermodynamic analysis and AFM imaging for the Al cation binding process with human serum albumin (HSA), bovine serum albumin (BSA) and milk beta-lactoglobulin (b-LG) in aqueous solution at physiological pH. Hydrophobicity played a major role in Al-protein interactions with more hydrophobic b-LG forming stronger Al-protein complexes. Thermodynamic parameters ΔS, ΔH and ΔG showed Al-protein bindings occur via hydrophobic and H-bonding contacts for b-LG, while van der Waals and H-bonding interactions prevail in HSA and BSA adducts. AFM clearly indicated that aluminum cations are able to force BSA and b-LG into larger or more robust aggregates than HSA, with HSA 4±0.2 (SE, n=801) proteins per aggregate, for BSA 17±2 (SE, n=148), and for b-LG 12±3 (SE, n=151). Thioflavin T test showed no major protein fibrillation in the presence of Al cation. Al complexation induced major alterations of protein conformations with the order of perturbations b-LG>BSA>HSA. Copyright © 2017 Elsevier B.V. All rights reserved.

Selenium biotransformations into proteinaceous forms by foodweb organisms of selenium-laden drainage waters in California

USGS Publications Warehouse

Spallholz, J.E.; Hoffman, D.J.

2002-01-01

Selenium contamination represents one of the few clear cases where environmental pollution has led to devastation of wildlife populations, most notably in agricultural drainage evaporation and power plant coal-fly ash receiving ponds. Complex biogeochemistry, in particular extensive biotransformations and foodchain transfer, governs Se ecotoxicology and toxicology, for which the mechanism(s) are still elusive. However, total waterborne Se concentration has been widely used as a criterion for regulating and mitigating Se risk in aquatic ecosystems, which does not account for Se biogeochemistry and its site-dependence. There is a need for more reliable indicator(s) that encompass Se ecotoxicity and/or toxicity. Selenomethionine warrants special attention since it simulates Se toxicosis of wildlife in laboratory feeding studies. While low in free selenomethionine, microphytes isolated from Se-laden agricultural evaporation ponds were abundant in proteinaceous selenomethionine. This prompted a more extensive survey of Se speciation in foodchain organisms including microphytes, macroinvertebrates, fish, and bird embryos residing mainly in the agricultural drainage systems of the San Joaquin Valley, California. Total Se in biomass, water-soluble fractions, and protein-rich fractions were measured along with GC-MS analysis of proteinaceous selenomethionine. In all foodchain organisms, water-soluble Se constituted the major fraction of total biomass Se, while proteinaceous Se was a substantial, if not dominant, fraction of the water-soluble Se. In turn, proteinaceous selenomethionine comprised an important fraction of proteinaceous Se. In terms of total biomass Se, an average 1400-fold of Se biomagnification from water to microphytes was observed while subsequent transfer from microphytes to macroinvertebrates exhibited an average of only 1.9-fold. The latter transfer was more consistent and greater in extent for proteinaceous Se and proteinaceous selenomethionine, which is consistent with their importance in foodchain transfer. Proteinaceous Se in the omnivorous carp (Cyprinus carpio) liver also demonstrated a relation to ovarian lesions, while deformed stilt (Himantopus mexicanus) embryo was more abundant in proteinaceous selenomethionine than were normal embryos. Although limited in the number of organisms surveyed, these findings provide an impetus for further field and laboratory feeding studies to substantiate the hypothesis that proteinaceous selenomethionine underlies Se ecotoxicity, which may in turn prove to be a reliable indicator of Se risk in aquatic ecosystems. Copyright ?? 2002 Elsevier Science B.V.

Thermoelectric Properties of Selenospinel Cu6Fe4Sn12Se32

NASA Astrophysics Data System (ADS)

Suekuni, Koichiro; Kunii, Masaru; Nishiate, Hirotaka; Ohta, Michihiro; Yamamoto, Atsushi; Koyano, Mikio

2012-06-01

This report describes thermoelectric properties up to 500 K for polycrystalline selenospinel Cu6Fe4Sn12Se32 samples. Thermal conductivity shows a low value of 1 W/Km because of their structural complexity such as Fe/Sn site disorder. Electrical resistivity ρ varies as exp( T 0/ T 1/4) and thermopower S varies as T 1/2 at low temperatures, which indicates that Mott variable-range hopping is the dominant conduction mechanism. However, at high temperatures (above 350 K), ρ and S decrease simultaneously. The temperature dependences are attributed to the thermal excitation of electrons. The possible band structure for Cu6Fe4Sn12Se32 is examined to clarify the behavior of ρ and S.

Systems Engineering Awareness

NASA Technical Reports Server (NTRS)

Lucero, John

2016-01-01

The presentation will provide an overview of the fundamentals and principles of Systems Engineering (SE). This includes understanding the processes that are used to assist the engineer in a successful design, build and implementation of solutions. The context of this presentation will be to describe the involvement of SE throughout the life-cycle of a project from cradle to grave. Due to the ever growing number of complex technical problems facing our world, a Systems Engineering approach is desirable for many reasons. The interdisciplinary technical structure of current systems, technical processes representing System Design, Technical Management and Product Realization are instrumental in the development and integration of new technologies into mainstream applications. This tutorial will demonstrate the application of SE tools to these types of problems..

Encapsulation of boswellic acid with β- and hydroxypropyl-β-cyclodextrin: Synthesis, characterization, in vitro drug release and molecular modelling studies

NASA Astrophysics Data System (ADS)

Tambe, Amruta; Pandita, Nancy; Kharkar, Prashant; Sahu, Niteshkumar

2018-02-01

Boswellic acids (BAs) are a group of pentacyclic triterpenes present in gum-resin of Boswellia serrata. They are well known for their anti-inflammatory, hypolipidemic, immunomodulatory and anti-tumor activity, but they have poor aqueous solubility and limited bioavailability. In order to enhance their aqueous solubility, inclusion complexes of BAs with β-cyclodextrin (β-CD) and hydroxypropyl-β-cyclodextrin (HP-β-CD) were synthesized and their drug release profiles were studied. Molecular associations of β-CD and HP-β-CD with BAs were investigated by phase solubility studies. The stability constants were found to be 380.2 and 145.9 M-1 for BA: β-CD and BA: HP-β-CD inclusion complexes, respectively with AN- type curve. BA: β-CD and BA: HP-β-CD inclusion complexes were synthesized using kneading (KN), co-precipitation (CP) and solvent evaporation (SE) methods in 1:1 as well as 1:2 ratios. Further these were characterized by Fourier transform infrared (FTIR) spectrophotometry, Powder X-ray Diffraction (P-XRD) and Differential scanning calorimetric (DSC) analysis. FTIR analysis showed shifting of frequencies in complexes as compared to CDs and BAs. P-XRD data obtained for BA: β-CD complexes synthesized by CP and SE methods showed amorphous pattern. Also, DSC analysis showed a change in thermal behaviour for synthesized complexes. In vitro drug release studies of BA: β-CD complexes showed enhanced release with 1:2 complexes than 1:1 complexes at pH 1.2 and pH 6.8. Similarly, drug release enhancement was observed more with BA: HP-β-CD complexes in 1:2 ratio than 1:1. To understand the interaction of BAs with CD cavity molecular modelling studies were performed which favored 1:2 complex formation over 1:1 complexes. The study thus highlights that CDs can be used for solubility and dissolution enhancement of BAs.

High dietary selenium intake is associated with less insulin resistance in the Newfoundland population.

PubMed

Wang, Yongbo; Lin, Meiju; Gao, Xiang; Pedram, Pardis; Du, Jianling; Vikram, Chandurkar; Gulliver, Wayne; Zhang, Hongwei; Sun, Guang

2017-01-01

As an essential nutrient, Selenium (Se) is involved in many metabolic activities including mimicking insulin function. Data on Se in various biological samples and insulin resistance are contradictory, moreover there is no large study available regarding the relationship of dietary Se intake with insulin resistance in the general population. To investigate the association between dietary Se intake and variation of insulin resistance in a large population based study, a total of 2420 subjects without diabetes from the CODING (Complex Diseases in the Newfoundland Population: Environment and Genetics) study were assessed. Dietary Se intake was evaluated from the Willett Food Frequency questionnaire. Fasting blood samples were used for the measurement of glucose and insulin. Insulin resistance was determined with the homeostasis model assessment (HOMA-IR). Body composition was measured using dual energy X-ray absorptiometry. Analysis of covariance showed that high HOMA-IR groups in both males and females had the lowest dietary Se intake (μg/kg/day) (p < 0.01), being 18% and 11% lower than low HOMA-IR groups respectively. Insulin resistance decreased with the increase of dietary Se intake in females but not in males after controlling for age, total calorie intake, physical activity level, serum calcium, serum magnesium, and body fat percentage (p < 0.01). Partial correlation analysis showed that dietary Se intake was negatively correlated with HOMA-IR after adjusting for the Se confounding factors in subjects whose dietary Se intake was below 1.6 μg/kg/day (r = -0.121 for males and -0.153 for females, p < 0.05). However, the negative correlation was no longer significant when dietary Se intake was above 1.6 μg/kg/day. Our findings suggest that higher dietary Se intake is beneficially correlated with lower insulin resistance when total dietary Se intake was below 1.6 μg/kg/day. Above this cutoff, this beneficial effect disappears.

High dietary selenium intake is associated with less insulin resistance in the Newfoundland population

PubMed Central

Gao, Xiang; Pedram, Pardis; Du, Jianling; Vikram, Chandurkar; Gulliver, Wayne; Zhang, Hongwei; Sun, Guang

2017-01-01

As an essential nutrient, Selenium (Se) is involved in many metabolic activities including mimicking insulin function. Data on Se in various biological samples and insulin resistance are contradictory, moreover there is no large study available regarding the relationship of dietary Se intake with insulin resistance in the general population. To investigate the association between dietary Se intake and variation of insulin resistance in a large population based study, a total of 2420 subjects without diabetes from the CODING (Complex Diseases in the Newfoundland Population: Environment and Genetics) study were assessed. Dietary Se intake was evaluated from the Willett Food Frequency questionnaire. Fasting blood samples were used for the measurement of glucose and insulin. Insulin resistance was determined with the homeostasis model assessment (HOMA-IR). Body composition was measured using dual energy X-ray absorptiometry. Analysis of covariance showed that high HOMA-IR groups in both males and females had the lowest dietary Se intake (μg/kg/day) (p < 0.01), being 18% and 11% lower than low HOMA-IR groups respectively. Insulin resistance decreased with the increase of dietary Se intake in females but not in males after controlling for age, total calorie intake, physical activity level, serum calcium, serum magnesium, and body fat percentage (p < 0.01). Partial correlation analysis showed that dietary Se intake was negatively correlated with HOMA-IR after adjusting for the Se confounding factors in subjects whose dietary Se intake was below 1.6 μg/kg/day (r = -0.121 for males and -0.153 for females, p < 0.05). However, the negative correlation was no longer significant when dietary Se intake was above 1.6 μg/kg/day. Our findings suggest that higher dietary Se intake is beneficially correlated with lower insulin resistance when total dietary Se intake was below 1.6 μg/kg/day. Above this cutoff, this beneficial effect disappears. PMID:28380029

Vibrational properties and bonding nature of Sb2Se3 and their implications for chalcogenide materials† †Electronic supplementary information (ESI) available: Additional computational data and discussion. See DOI: 10.1039/c5sc00825e Click here for additional data file.

PubMed Central

Deringer, Volker L.; Stoffel, Ralf P.; Wuttig, Matthias

2015-01-01

Antimony selenide (antimonselite, Sb2Se3) is a versatile functional material with emerging applications in solar cells. It also provides an intriguing prototype to study different modes of bonding in solid chalcogenides, all within one crystal structure. In this study, we unravel the complex bonding nature of crystalline Sb2Se3 by using an orbital-based descriptor (the crystal orbital Hamilton population, COHP) and by analysing phonon properties and interatomic force constants. We find particularly interesting behaviour for the medium-range Sb···Se contacts, which still contribute significant stabilisation but are much softer than the “traditional” covalent bonds. These results have implications for the assembly of Sb2Se3 nanostructures, and bond-projected force constants appear as a useful microscopic descriptor for investigating a larger number of chalcogenide functional materials in the future. PMID:29449929

Chemistry in CESM-SE: Evaluation, Performance and Optimization

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

Lamarque, Jean-Francois; Conley, Andrew; Vitt, Francis

2016-01-06

The purpose of the proposed work focused on development of chemistry representation within the Spectral Element (SE) dynamical core as implemented in the Community Earth System Model (CESM). More specifically, a main focus was on the ability of SE to accurately represent tracer transport. The proposed approach was to incrementally increase the complexity of the problem, starting from specified two-dimensional flow and tracers to simulations using specified dynamics and full chemistry. As demonstrated below, we have successfully studied all aspects of the proposed work, although only part of the work has been published in the refereed literature so far. Furthermore,more » because the SE dynamical core has been found to have several deficiencies that are still being investigated for solution, not all proposed tasks were finalized. In addition to the tests for SE performance, in an effort to decrease the computational burden of interactive chemistry, especially in the case of a large number of chemical species and chemical reactions, development on a faster chemical solver and implementation on GPUs has been implemented in CESM under the leadership of John Drake (U. Tennessee).« less

Determination of total selenium in food samples by d-CPE and HG-AFS.

PubMed

Wang, Mei; Zhong, Yizhou; Qin, Jinpeng; Zhang, Zehua; Li, Shan; Yang, Bingyi

2017-07-15

A dual-cloud point extraction (d-CPE) procedure was developed for the simultaneous preconcentration and determination of trace level Se in food samples by hydride generation-atomic fluorescence spectrometry (HG-AFS). The Se(IV) was complexed with ammonium pyrrolidinedithiocarbamate (APDC) in a Triton X-114 surfactant-rich phase, which was then treated with a mixture of 16% (v/v) HCl and 20% (v/v) H 2 O 2 . This converted the Se(IV)-APDC into free Se(IV), which was back extracted into an aqueous phase at the second cloud point extraction stage. This aqueous phase was analyzed directly by HG-AFS. Optimization of the experimental conditions gave a limit of detection of 0.023μgL -1 with an enhancement factor of 11.8 when 50mL of sample solution was preconcentrated to 3mL. The relative standard deviation was 4.04% (c=6.0μgL -1 , n=10). The proposed method was applied to determine the Se contents in twelve food samples with satisfactory recoveries of 95.6-105.2%. Copyright © 2016 Elsevier Ltd. All rights reserved.

Adsorption mechanisms of selenium oxyanions at the aluminum oxide/water interface

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

Peak, Derek

2008-06-09

Sorption processes at the mineral/water interface typically control the mobility and bioaccessibility of many inorganic contaminants such as oxyanions. Selenium is an important micronutrient for human and animal health, but at elevated concentrations selenium toxicity is a concern. The objective of this study was to determine the bonding mechanisms of selenate (SeO{sub 4}{sup 2-}) and selenite (SeO{sub 3}{sup 2-}) on hydrous aluminum oxide (HAO) over a wide range of reaction pH using extended X-ray absorption fine structure (EXAFS) spectroscopy. Additionally, selenate adsorption on corundum ({alpha}-Al{sub 2}O{sub 3}) was studied to determine if adsorption mechanisms change as the aluminum oxide surfacemore » structure changes. The overall findings were that selenite forms a mixture of outer-sphere and inner-sphere bidentate-binuclear (corner-sharing) surface complexes on HAO, selenate forms primarily outer-sphere surface complexes on HAO, and on corundum selenate forms outer-sphere surface complexes at pH 3.5 but inner-sphere monodentate surface complexes at pH 4.5 and above. It is possible that the lack of inner-sphere complex formation at pH 3.5 is caused by changes in the corundum surface at low pH or secondary precipitate formation. The results are consistent with a structure-based reactivity for metal oxides, wherein hydrous metal oxides form outer-sphere complexes with sulfate and selenate, but inner-sphere monodentate surface complexes are formed between sulfate and selenate and {alpha}-Me{sub 2}O{sub 3}.« less

Single-step electrodeposition of CIS thin films with the complexing agent triethanolamine

NASA Astrophysics Data System (ADS)

Chiu, Yu-Shuen; Hsieh, Mu-Tao; Chang, Chih-Min; Chen, Chun-Shuo; Whang, Thou-Jen

2014-04-01

Some difficulties have long been encountered by single-step electrodeposition such as the optimization of electrolyte composition, deposition potentials, deposition time, and pH values. The approach of introducing ternary components into single-step electrodeposition is rather challenging especially due to the different values of the equilibrium potential for each constituent. Complexing agents play an important role in single-step electrodeposition of CuInSe2 (CIS), since the equilibrium potential of every constituent can be brought closer to each other when complexing agents are employed. In this work, single-step electrodeposition of CIS was enhanced by adding triethanolamine (TEA) into deposition bath, the CIS thin films were improved consequently in the form of polycrystalline cauliflower structures through the examination of SEM images and XRD patterns. The optimum composition of the solution for single-step electrodeposition of CIS is found to be 5 mM CuCl2, 22 mM InCl3, and 22 mM SeO2 at pH 1.5 with 0.1 M TEA. The structures, compositions, and morphologies of as-deposited and of annealed films were investigated.

Copper chalcogenide clusters stabilized with ferrocene-based diphosphine ligands.

PubMed

Khadka, Chhatra B; Najafabadi, Bahareh Khalili; Hesari, Mahdi; Workentin, Mark S; Corrigan, John F

2013-06-17

The redox-active diphosphine ligand 1,1'-bis(diphenylphosphino)ferrocene (dppf) has been used to stabilize the copper(I) chalcogenide clusters [Cu12(μ4-S)6(μ-dppf)4] (1), [Cu8(μ4-Se)4(μ-dppf)3] (2), [Cu4(μ4-Te)(μ4-η(2)-Te2)(μ-dppf)2] (3), and [Cu12(μ5-Te)4(μ8-η(2)-Te2)2(μ-dppf)4] (4), prepared by the reaction of the copper(I) acetate coordination complex (dppf)CuOAc (5) with 0.5 equiv of E(SiMe3)2 (E = S, Se, Te). Single-crystal X-ray analyses of complexes 1-4 confirm the presence of {Cu(2x)E(x)} cores stabilized by dppf ligands on their surfaces, where the bidentate ligands adopt bridging coordination modes. The redox chemistry of cluster 1 was examined using cyclic voltammetry and compared to the electrochemistry of the free ligand dppf and the corresponding copper(I) acetate coordination complex 5. Cluster 1 shows the expected consecutive oxidations of the ferrocene moieties, Cu(I) centers, and phosphine of the dppf ligand.

Inference of the genetic architecture underlying BMI and height with the use of 20,240 sibling pairs.

PubMed

Hemani, Gibran; Yang, Jian; Vinkhuyzen, Anna; Powell, Joseph E; Willemsen, Gonneke; Hottenga, Jouke-Jan; Abdellaoui, Abdel; Mangino, Massimo; Valdes, Ana M; Medland, Sarah E; Madden, Pamela A; Heath, Andrew C; Henders, Anjali K; Nyholt, Dale R; de Geus, Eco J C; Magnusson, Patrik K E; Ingelsson, Erik; Montgomery, Grant W; Spector, Timothy D; Boomsma, Dorret I; Pedersen, Nancy L; Martin, Nicholas G; Visscher, Peter M

2013-11-07

Evidence that complex traits are highly polygenic has been presented by population-based genome-wide association studies (GWASs) through the identification of many significant variants, as well as by family-based de novo sequencing studies indicating that several traits have a large mutational target size. Here, using a third study design, we show results consistent with extreme polygenicity for body mass index (BMI) and height. On a sample of 20,240 siblings (from 9,570 nuclear families), we used a within-family method to obtain narrow-sense heritability estimates of 0.42 (SE = 0.17, p = 0.01) and 0.69 (SE = 0.14, p = 6 × 10(-)(7)) for BMI and height, respectively, after adjusting for covariates. The genomic inflation factors from locus-specific linkage analysis were 1.69 (SE = 0.21, p = 0.04) for BMI and 2.18 (SE = 0.21, p = 2 × 10(-10)) for height. This inflation is free of confounding and congruent with polygenicity, consistent with observations of ever-increasing genomic-inflation factors from GWASs with large sample sizes, implying that those signals are due to true genetic signals across the genome rather than population stratification. We also demonstrate that the distribution of the observed test statistics is consistent with both rare and common variants underlying a polygenic architecture and that previous reports of linkage signals in complex traits are probably a consequence of polygenic architecture rather than the segregation of variants with large effects. The convergent empirical evidence from GWASs, de novo studies, and within-family segregation implies that family-based sequencing studies for complex traits require very large sample sizes because the effects of causal variants are small on average. Copyright © 2013 The American Society of Human Genetics. Published by Elsevier Inc. All rights reserved.

Core–shell interaction and its impact on the optical absorption of pure and doped core-shell CdSe/ZnSe nanoclusters

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

Wang, Xinqin; Cui, Yingqi; Zeng, Qun

The structural, electronic, and optical properties of core-shell nanoclusters, (CdSe){sub x}@(CdSe){sub y} and their Zn-substituted complexes of x = 2–4 and y = 16–28, were studied with density functional theory calculations. The substitution was applied in the cores, the shells, and/or the whole clusters. All these clusters are characterized by their core-shell structures in which the core-shell interaction was found different from those in core or in shell, as reflected by their bondlengths, volumes, and binding energies. Moreover, the core and shell combine together to compose a new cluster with electronic and optical properties different from those of separated individuals,more » as reflected by their HOMO-LUMO gaps and optical absorptions. With the substitution of Cd by Zn, the structural, electronic, and optical properties of clusters change regularly. The binding energy increases with Zn content, attributed to the strong Zn–Se bonding. For the same core/shell, the structure with a CdSe shell/core has a narrower gap than that with a ZnSe shell/core. The optical absorption spectra also change accordingly with Zn substitution. The peaks blueshift with increasing Zn concentration, accompanying with shape variations in case large number of Cd atoms are substituted. Our calculations reveal the core-shell interaction and its influence on the electronic and optical properties of the core-shell clusters, suggesting a composition–structure–property relationship for the design of core-shell CdSe and ZnSe nanoclusters.« less

Structural and optical characterization of electrodeposited CdSe in mesoporous anatase TiO2 for regenerative quantum-dot-sensitized solar cells.

PubMed

Sauvage, Frédéric; Davoisne, Carine; Philippe, Laetitia; Elias, Jamil

2012-10-05

We investigated CdSe-sensitized TiO(2) solar cells by means of electrodeposition under galvanostatic control. The electrodeposition of CdSe within the mesoporous film of TiO(2) gives rise to a uniform, thickness controlled, conformal layer of nanostructured CdSe particles intimately wrapping the anatase TiO(2) nanoparticles. This technique has the advantage of providing not only a fast method for sensitization ( < 5 min) but also being easily scalable to the sensitization of large-area panels. XRD together with SAED analysis highlight that the deposit of CdSe is exclusively constituted of the hexagonal polymorph. In addition, hierarchical growth has also been shown, starting from the formation of a TiO(2)-CdSe core-shell structure followed by the growth of an assembly of CdSe nanoparticles resembling cauliflowers. This assembly exhibits at its core a mosaic texture with crystallites of about 3 nm in size, in contrast to a shell composed of well-crystallized single crystals between 5 and 10 nm in size. Preliminary results on the photovoltaic performance of such a nanostructured composite of TiO(2) and CdSe show 0.8% power conversion efficiency under A.M.1.5 G conditions-100 mW cm(-2) in association with a new regenerative redox couple based on cobalt(+III/+II) polypyridil complex (V(oc ) = 485 mV, J(sc ) = 4.26 mA cm (-2), ff=0.37).

Electronic Structure and Optical Properties of Cu2ZnGeSe4 : First-Principles Calculations and Vacuum-Ultraviolet Spectroscopic Ellipsometric Studies

NASA Astrophysics Data System (ADS)

Choi, S. G.; Park, J.-S.; Donohue, A. L.; Christensen, S. T.; To, B.; Beall, C.; Wei, S.-H.; Repins, I. L.

2015-11-01

Cu2ZnGeSe4 is of interest for the development of next-generation thin-film photovoltaic technologies. To understand its electronic structure and related fundamental optical properties, we perform first-principles calculations for three structural variations: kesterite, stannite, and primitive-mixed CuAu phases. The calculated data are compared with the room-temperature dielectric function ɛ =ɛ1+i ɛ2 spectrum of polycrystalline Cu2ZnGeSe4 determined by vacuum-ultraviolet spectroscopic ellipsometry in the photon-energy range of 0.7 to 9.0 eV. Ellipsometric data are modeled with the sum of eight Tauc-Lorentz oscillators, and the best-fit model yields the band-gap and Tauc-gap energies of 1.25 and 1.19 eV, respectively. A comparison of overall peak shapes and relative intensities between experimental spectra and the calculated ɛ data for three structural variations suggests that the sample may not have a pure (ordered) kesterite phase. The complex refractive index N =n +i k , normal-incidence reflectivity R , and absorption coefficients α are calculated from the modeled ɛ spectrum, which are also compared with those of Cu2ZnSnSe4 . The spectral features for Cu2ZnGeSe4 appear to be weaker and broader than those for Cu2ZnSnSe4 , which is possibly due to more structural imperfections presented in Cu2ZnGeSe4 than Cu2ZnSnSe4 .

Selenoproteins in human body: focus on thyroid pathophysiology.

PubMed

Valea, Ana; Georgescu, Carmen Emanuela

2018-06-05

Selenium (Se) has a multilevel, complex and dynamic effect on the human body as a major component of selenocysteine, incorporated into selenoproteins, which include the selenocysteine-containing enzymes iodothyronine deiodinases. At the thyroid level, these proteins play an essential role in antioxidant protection and hormone metabolism. This is a narrative review based on PubMed/Medline database research regarding thyroid physiology and conditions with Se and Se-protein interferences. In humans, Se-dependent enzyme functions are best expressed through optimal Se intake, although there is gap in our knowledge concerning the precise mechanisms underlying the interrelation. There is a good level of evidence linking low serum Se to autoimmune thyroid diseases and, to a lesser extent, differentiated thyroid cancer. However, when it comes to routine supplementation, the results are heterogeneous, except in the case of mild Graves' orbitopathy. Autoimmune hypothyroidism is associated with a state of higher oxidative stress, but not all studies found an improvement of thyroid function after Se was introduced as antioxidant support. Meanwhile, no routine supplementation is recommended. Low Se intake is correlated with an increased risk of developing antithyroid antibodies, its supplementation decreasing their titres; there is also a potential reduction in levothyroxine replacement dose required for hypothyroidism and/or the possibility that it prevents progression of subclinical hypothyroidism, although not all studies agree. In thyroid-associated orbitopathy, euthyroidism is more rapidly achieved if the micronutrient is added to traditional drugs, while controls appear to benefit from the microelement only if they are deficient; thus, a basal assay of Se appears advisable to better select patients who need substitution. Clearly, further Se status biomarkers are required. Future introduction of individual supplementation algorithms based on baseline micronutrient levels, underlying or at-risk clinical conditions, and perhaps selenoprotein gene polymorphisms is envisaged.

Determination of size and mass-and number-based concentration of biogenic SeNPs synthesized by lactic acid bacteria by using a multimethod approach.

PubMed

Moreno-Martin, Gustavo; Pescuma, Micaela; Pérez-Corona, Teresa; Mozzi, Fernanda; Madrid, Yolanda

2017-11-01

Selenium nanoparticles (SeNPs) were synthesized by a green technology using lactic acid bacteria (LAB, Lactobacillus acidophilus, L. delbrueckii subsp. bulgaricus and L. reuteri). The exposure of aqueous sodium selenite to LAB led to the synthesis of SeNPs. Characterization of SeNPs by transmission electron microscopy with energy dispersive X-ray spectrum (EDXS) analysis revealed the presence of stable, predominantly monodispersed and spherical SeNPs of an average size of 146 ± 71 nm. Additionally, SeNPs hydrodynamic size was determined by dispersive light scattering (DLS) and nanoparticle tracking analysis (NTA). For this purpose, a methodology based on the use of surfactants in basic medium was developed for isolating SeNPs from the bacterial pellet. The hydrodynamic size values provided by DLS and NTA were 258 ± 4 and 187 ± 56 nm, respectively. NTA measurements of number-based concentration reported values of (4.67±0.30)x10 9 SeNPs mL -1 with a relative standard deviation lower than 5% (n = 3). The quantitative results obtained by NTA were supported by theoretical calculations. Asymmetrical flow field flow fractionation (AF 4 ) on line coupled to the inductively couple plasma mass spectrometry (ICP-MS) and off-line coupled to DLS was further employed to characterize biogenic SeNPs. The distribution of the particle size for the Se-containing peak provide an average size of (247 ± 14) nm. The data obtained by independent techniques were in good agreement and the developed methodology could be implemented for characterizing NPs in complex matrices such as biogenic nanoparticles embedded inside microbial material. Copyright © 2017. Published by Elsevier B.V.

Selenium supplementation prevents metabolic and transcriptomic responses to cadmium in mouse lung.

PubMed

Hu, Xin; Chandler, Joshua D; Fernandes, Jolyn; Orr, Michael L; Hao, Li; Uppal, Karan; Neujahr, David C; Jones, Dean P; Go, Young-Mi

2018-04-12

The protective effect of selenium (Se) on cadmium (Cd) toxicity is well documented, but underlying mechanisms are unclear. Male mice fed standard diet were given Cd (CdCl 2 , 18 μmol/L) in drinking water with or without Se (Na 2 SeO 4, 20 μmol/L) for 16 weeks. Lungs were analyzed for Cd concentration, transcriptomics and metabolomics. Data were analyzed with biostatistics, bioinformatics, pathway enrichment analysis, and combined transcriptome-metabolome-wide association study. Mice treated with Cd had higher lung Cd content (1.7 ± 0.4 pmol/mg protein) than control mice (0.8 ± 0.3 pmol/mg protein) or mice treated with Cd and Se (0.4 ± 0.1 pmol/mg protein). Gene set enrichment analysis of transcriptomics data showed that Se prevented Cd effects on inflammatory and myogenesis genes and diminished Cd effects on several other pathways. Similarly, Se prevented Cd-disrupted metabolic pathways in amino acid metabolism and urea cycle. Integrated transcriptome and metabolome network analysis showed that Cd treatment had a network structure with fewer gene-metabolite clusters compared to control. Centrality measurements showed that Se counteracted changes in a group of Cd-responsive genes including Zdhhc11, (protein-cysteine S-palmitoyltransferase), Ighg1 (immunoglobulin heavy constant gamma-1) and associated changes in metabolite concentrations. Co-administration of Se with Cd prevented Cd increase in lung and prevented Cd-associated pathway and network responses of the transcriptome and metabolome. Se protection against Cd toxicity in lung involves complex systems responses. Environmental Cd stimulates proinflammatory and profibrotic signaling. The present results indicate that dietary or supplemental Se could be useful to mitigate Cd toxicity. Published by Elsevier B.V.

Colorimetric sensing of selenocystine using gold nanoparticles.

PubMed

Liu, Liyang; Wang, Xia; Yang, Juan; Bai, Yan

2017-10-15

We present a highly selective and sensitive colorimetric method for the detection of selenocystine (SeCys) coexisting with other amino acids, especially cysteine (Cys) using the gold nanoparticles (AuNPs). Firstly, Cys was oxidized to cystine (Cys-Cys) by dissolved oxygen under Cu 2+ catalysis in the pre-reaction, which eliminated the interference of Cys in the SeCys sensing process. Then SeCys induced the rapid aggregation of AuNPs through Au-Se bond and complex formation of Cu 2+ -SeCys in the colorimetric reaction, in which the color change of AuNPs from red to blue or purple with the naked eye detection or with a UV-vis spectrophotometric determination. The concentration of SeCys was quantified by the value at 670 nm from the second-derivative SPR absorbance spectrum. The linear range was from 2 μM to 14 μM with correlation coefficient of 0.999 and a detection limit (LOD) was 0.14 μM. Moreover, the colorimetric response of AuNPs exhibited remarkable specificity to SeCys coexisting with 18 amino acids in a simulation sample, in which the total concentration of Cys and Cys-Cys was less than 15 μM and the each concentration of other 16 common amino acids was 10 μM. Copyright © 2017 Elsevier Inc. All rights reserved.

A review of human biomonitoring in selected Southeast Asian countries.

PubMed

Barnett-Itzhaki, Zohar; Esteban López, Marta; Puttaswamy, Naveen; Berman, Tamar

2018-07-01

Rapid development and industrialization in Southeast (SE) Asia has led to environmental pollution, potentially exposing the general population to environmental contaminants. Human biomonitoring (HBM), measurement of chemical and/or their metabolites in human tissues and fluids, is an important tool for assessing cumulative exposure to complex mixtures of chemicals and for monitoring chemical exposures in the general population. While there are national HBM programs in several developed countries, there are no such national programs in most of the SE Asian countries. However, in recent years there has been progress in the field of HBM in many of the SE Asian countries. In this review, we present recent HBM studies in five selected SE Asian countries: Bangladesh, Indonesia, Malaysia, Myanmar and Thailand. While there is extensive HBM research in several SE Asian countries, such as Thailand, in other countries HBM studies are limited and focus on traditional environmental pollutants (such as lead, arsenic and mercury). Further development of this field in SE Asia would be benefited by establishment of laboratory capacity, improving quality control and assurance, collaboration with international experts and consortiums, and sharing of protocols and training both for pre-analytical and analytical phases. This review highlights the impressive progress in HBM research in selected SE Asian countries and provides recommendations for development of this field. Copyright © 2018 Elsevier Ltd. All rights reserved.

Speciation of selenium in environmental samples by solid-phase spectrophotometry using 2,3-dichloro-6-(2,7-dihydroxy-naphthylazo)quinoxaline.

PubMed

Amin, Alaa S

2014-01-01

Solid-phase spectrophotometry was applied to determination of trace amounts of selenium (Se) in water, soil, plant materials, human hair, and a cosmetic preparation (lipstick). Se(IV) was sorbed in a dextran type lipophilic gel as a complex with 2,3-dichloro-6-(2,7-dihydroxy-naphthylazo)quinoxaline (DCDHNAQ), whereas Se(VI) was determined after boiling in HCI for 10 min to convert Se(VI) to Se(IV). Resin phase absorbances at 588 and 800 nm were measured directly, which allowed the determination of Se in the range of 0.2-3.3 microg/L with an RSD of 1.22%. The influences of analytical parameters including pH of the aqueous solution, amounts of DCDHNAQ, and sample volume were investigated. The molar absorptivities were found to be 1.09 x 10(6), 4.60 x 10(6), and 1.23 x 10(7) L/mol cm for 100, 500, and 1000 mL, respectively. The LOD and LOQ of the 500 mL sample method were 110 and 360 ng/L, respectively, when using 50 mg dextran type lipophilic gel. For a 1000 mL sample, the LOD and LOQ were 60 and 200 ng/L, respectively, using 50 mg of the exchanger. Increasing the sample volume enhanced the sensitivity. No considerable interferences were observed from other investigated anions and cations on the Se determination.

Control of exciton confinement in quantum dot-organic complexes through energetic alignment of interfacial orbitals.

PubMed

Frederick, Matthew T; Amin, Victor A; Swenson, Nathaniel K; Ho, Andrew Y; Weiss, Emily A

2013-01-09

This paper describes a method to control the quantum confinement, and therefore the energy, of excitonic holes in CdSe QDs through adsorption of the hole-delocalizing ligand phenyldithiocarbamate, PTC, and para substitutions of the phenyl ring of this ligand with electron-donating or -withdrawing groups. These substitutions control hole delocalization in the QDs through the energetic alignment of the highest occupied orbitals of PTC with the highest density-of-states region of the CdSe valence band, to which PTC couples selectively.

The Comparative Studies of Binding Activity of Curcumin and Didemethylated Curcumin with Selenite: Hydrogen Bonding vs Acid-Base Interactions

NASA Astrophysics Data System (ADS)

Liao, Jiahn-Haur; Wu, Tzu-Hua; Chen, Ming-Yi; Chen, Wei-Ting; Lu, Shou-Yun; Wang, Yi-Hsuan; Wang, Shao-Pin; Hsu, Yen-Min; Huang, Yi-Shiang; Huang, Zih-You; Lin, Yu-Ching; Chang, Ching-Ming; Huang, Fu-Yung; Wu, Shih-Hsiung

2015-12-01

In this report, the in vitro relative capabilities of curcumin (CCM) and didemethylated curcumin (DCCM) in preventing the selenite-induced crystallin aggregation were investigated by turbidity tests and isothermal titration calorimetry (ITC). DCCM showed better activity than CCM. The conformers of CCM/SeO32- and DCCM/SeO32- complexes were optimized by molecular orbital calculations. Results reveal that the selenite anion surrounded by CCM through the H-bonding between CCM and selenite, which is also observed via IR and NMR studied. For DCCM, the primary driving force is the formation of an acid-base adduct with selenite showing that the phenolic OH group of DCCM was responsible for forming major conformer of DCCM. The formation mechanisms of selenite complexes with CCM or DCCM explain why DCCM has greater activity than CCM in extenuating the toxicity of selenite as to prevent selenite-induced lens protein aggregation.

Characterization of Si (sub X)Ge (sub 1-x)/Si Heterostructures for Device Applications Using Spectroscopic Ellipsometry

NASA Technical Reports Server (NTRS)

Sieg, R. M.; Alterovitz, S. A.; Croke, E. T.; Harrell, M. J.; Tanner, M.; Wang, K. L.; Mena, R. A.; Young, P. G.

1993-01-01

Spectroscopic ellipsometry (SE) characterization of several complex Si (sub X)Ge (sub 1-x)/Si heterostructures prepared for device fabrication, including structures for heterojunction bipolar transistors (HBT), p-type and n-type heterostructure modulation doped field effect transistors, has been performed. We have shown that SE can simultaneously determine all active layer thicknesses, Si (sub X)Ge (sub 1-x) compositions, and the oxide overlayer thickness, with only a general knowledge of the structure topology needed a priori. The characterization of HBT material included the SE analysis of a Si (sub X)Ge (sub 1-x) layer deeply buried (600 nanometers) under the silicon emitter and cap layers. In the SE analysis of n-type heterostructures, we examined for the first time a silicon layer under tensile strain. We found that an excellent fit can be obtained using optical constants of unstrained silicon to represent the strained silicon conduction layer. We also used SE to measure lateral sample homogeneity, providing quantitative identification of the inhomogeneous layer. Surface overlayers resulting from prior sample processing were also detected and measured quantitatively. These results should allow SE to be used extensively as a non-destructive means of characterizing Si (sub X)Ge (sub 1-x)/Si heterostructures prior to device fabrication and testing.

Accurate Nanoscale Crystallography in Real-Space Using Scanning Transmission Electron Microscopy.

PubMed

Dycus, J Houston; Harris, Joshua S; Sang, Xiahan; Fancher, Chris M; Findlay, Scott D; Oni, Adedapo A; Chan, Tsung-Ta E; Koch, Carl C; Jones, Jacob L; Allen, Leslie J; Irving, Douglas L; LeBeau, James M

2015-08-01

Here, we report reproducible and accurate measurement of crystallographic parameters using scanning transmission electron microscopy. This is made possible by removing drift and residual scan distortion. We demonstrate real-space lattice parameter measurements with <0.1% error for complex-layered chalcogenides Bi2Te3, Bi2Se3, and a Bi2Te2.7Se0.3 nanostructured alloy. Pairing the technique with atomic resolution spectroscopy, we connect local structure with chemistry and bonding. Combining these results with density functional theory, we show that the incorporation of Se into Bi2Te3 causes charge redistribution that anomalously increases the van der Waals gap between building blocks of the layered structure. The results show that atomic resolution imaging with electrons can accurately and robustly quantify crystallography at the nanoscale.

Activation Thermodynamics and H/D Kinetic Isotope Effect of the Hox to HredH+ Transition in [FeFe] Hydrogenase.

PubMed

Ratzloff, Michael W; Wilker, Molly B; Mulder, David W; Lubner, Carolyn E; Hamby, Hayden; Brown, Katherine A; Dukovic, Gordana; King, Paul W

2017-09-20

Molecular complexes between CdSe nanocrystals and Clostridium acetobutylicum [FeFe] hydrogenase I (CaI) enabled light-driven control of electron transfer for spectroscopic detection of redox intermediates during catalytic proton reduction. Here we address the route of electron transfer from CdSe→CaI and activation thermodynamics of the initial step of proton reduction in CaI. The electron paramagnetic spectroscopy of illuminated CdSe:CaI showed how the CaI accessory FeS cluster chain (F-clusters) functions in electron transfer with CdSe. The H ox →H red H + reduction step measured by Fourier-transform infrared spectroscopy showed an enthalpy of activation of 19 kJ mol -1 and a ∼2.5-fold kinetic isotope effect. Overall, these results support electron injection from CdSe into CaI involving F-clusters, and that the H ox →H red H + step of catalytic proton reduction in CaI proceeds by a proton-dependent process.

Measures of precision for dissimilarity-based multivariate analysis of ecological communities.

PubMed

Anderson, Marti J; Santana-Garcon, Julia

2015-01-01

Ecological studies require key decisions regarding the appropriate size and number of sampling units. No methods currently exist to measure precision for multivariate assemblage data when dissimilarity-based analyses are intended to follow. Here, we propose a pseudo multivariate dissimilarity-based standard error (MultSE) as a useful quantity for assessing sample-size adequacy in studies of ecological communities. Based on sums of squared dissimilarities, MultSE measures variability in the position of the centroid in the space of a chosen dissimilarity measure under repeated sampling for a given sample size. We describe a novel double resampling method to quantify uncertainty in MultSE values with increasing sample size. For more complex designs, values of MultSE can be calculated from the pseudo residual mean square of a permanova model, with the double resampling done within appropriate cells in the design. R code functions for implementing these techniques, along with ecological examples, are provided. © 2014 The Authors. Ecology Letters published by John Wiley & Sons Ltd and CNRS.

6. General view from roof of Building 12 of interior ...

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

6. General view from roof of Building 12 of interior of complex. Building 13/14 stretches from left. View looking SE. - John & James Dobson Carpet Mill (West Parcel), 4041-4055 Ridge Avenue, Philadelphia, Philadelphia County, PA

Probing the Influence of Acidity and Temperature to Th(IV) on Hydrolysis, Nucleation, and Structural Topology.

PubMed

Lin, Jian; Qie, Meiying; Zhang, Linjuan; Wang, Xiaomei; Lin, Yuejian; Liu, Wei; Bao, Hongliang; Wang, Jianqiang

2017-11-20

Systematic control of the molar ratio between thorium hydroxides and selenic acid and their reaction temperature under hydrothermal conditions results in four novel thorium-based selenate complexes, namely, [Th 8 O 4 (OH) 8 (SeO 4 ) 6 (H 2 O) 16 ]·(SeO 4 ) 2 ·13H 2 O (Th-1), [Th 8 O 4 (OH) 8 (SeO 4 ) 8 (H 2 O) 13 ]·7H 2 O (Th-2), Th(OH) 2 (SeO 4 )H 2 O (Th-3), and Th 3 (SeO 4 ) 6 (H 2 O) 6 ·2.5H 2 O (Th-4), as well as the thorium mixed selenite selenate compound Th(SeO 3 )(SeO 4 ) (Th-5). Smaller [H 2 SeO 4 ]/[Th(IV)] ratio or lower temperature give rise to the formation of octameric [Th 8 (μ 3 -O) 4 (μ 2 -OH) 8 ] 16+ cores in Th-1/Th-2 and infinite [Th(μ 2 -OH) 2 H 2 O] 2+ chains in Th-3, respectively. Increasing the [H 2 SeO 4 ]/[Th(IV)] ratio or elevating the temperature generates a microporous (11.3 Å voids) open-framework Th-4, a monomeric thorium species without oxo/hydroxyl ligands, and a three-dimensional thorium structure Th-5. Formation of these compounds suggests that variables including acidity and temperature play a critical role in the hydrolysis and oligomerization of Th IV ions. Increasing acidity limits the deprotonation of water molecules and formation of nucleophilic hydroxo/oxo-aquo Th species, and high temperature appears to suppress the olation/oxolation hydrolysis reactions, which in both ways limit the formation of the thorium oligomers.

Two-dimensional tin selenide nanostructures for flexible all-solid-state supercapacitors.

PubMed

Zhang, Chunli; Yin, Huanhuan; Han, Min; Dai, Zhihui; Pang, Huan; Zheng, Yulin; Lan, Ya-Qian; Bao, Jianchun; Zhu, Jianmin

2014-04-22

Due to their unique electronic and optoelectronic properties, tin selenide nanostructures show great promise for applications in energy storage and photovoltaic devices. Despite the great progress that has been achieved, the phase-controlled synthesis of two-dimensional (2D) tin selenide nanostructures remains a challenge, and their use in supercapacitors has not been explored. In this paper, 2D tin selenide nanostructures, including pure SnSe2 nanodisks (NDs), mixed-phase SnSe-SnSe2 NDs, and pure SnSe nanosheets (NSs), have been synthesized by reacting SnCl2 and trioctylphosphine (TOP)-Se with borane-tert-butylamine complex (BTBC) and 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone. Utilizing the interplay of TOP and BTBC and changing only the amount of BTBC, the phase-controlled synthesis of 2D tin selenide nanostructures is realized for the first time. Phase-dependent pseudocapacitive behavior is observed for the resulting 2D nanostructures. The specific capacitances of pure SnSe2 NDs (168 F g(-1)) and SnSe NSs (228 F g(-1)) are much higher than those of other reported materials (e.g., graphene-Mn3O4 nanorods and TiN mesoporous spheres); thus, these tin selenide materials were used to fabricate flexible, all-solid-state supercapacitors. Devices fabricated with these two tin selenide materials exhibited high areal capacitances, good cycling stabilities, excellent flexibilities, and desirable mechanical stabilities, which were comparable to or better than those reported recently for other solid-state devices based on graphene and 3D GeSe2 nanostructures. Additionally, the rate capability of the SnSe2 NDs device was much better than that of the SnSe NS device, indicating that SnSe2 NDs are promising active materials for use in high-performance, flexible, all-solid-state supercapacitors.

Contraction dynamics and function of the muscle-tendon complex depend on the muscle fibre-tendon length ratio: a simulation study.

PubMed

Mörl, Falk; Siebert, Tobias; Häufle, Daniel

2016-02-01

Experimental studies show different muscle-tendon complex (MTC) functions (e.g. motor or spring) depending on the muscle fibre-tendon length ratio. Comparing different MTC of different animals examined experimentally, the extracted MTC functions are biased by, for example, MTC-specific pennation angle and fibre-type distribution or divergent experimental protocols (e.g. influence of temperature or stimulation on MTC force). Thus, a thorough understanding of variation of these inner muscle fibre-tendon length ratios on MTC function is difficult. In this study, we used a hill-type muscle model to simulate MTC. The model consists of a contractile element (CE) simulating muscle fibres, a serial element (SE) as a model for tendon, and a parallel elastic element (PEE) modelling tissue in parallel to the muscle fibres. The simulation examines the impact of length variations of these components on contraction dynamics and MTC function. Ensuring a constant overall length of the MTC by L(MTC) = L(SE) + L(CE), the SE rest length was varied over a broad physiological range from 0.1 to 0.9 MTC length. Five different MTC functions were investigated by simulating typical physiological experiments: the stabilising function with isometric contractions, the motor function with contractions against a weight, the capability of acceleration with contractions against a small inertial mass, the braking function by decelerating a mass, and the spring function with stretch-shortening cycles. The ratio of SE and CE mainly determines the MTC function. MTC with comparably short tendon generates high force and maximal shortening velocity and is able to produce maximal work and power. MTC with long tendon is suitable to store and release a maximum amount of energy. Variation of muscle fibre-tendon ratio yielded two peaks for MTC's force response for short and long SE lengths. Further, maximum work storage capacity of the SE is at long relL(SE,0). Impact of fibre-tendon length ratio on MTC functions will be discussed. Considering a constant set of MTC parameters, quantitative changes in MTC performance (work, stiffness, force, energy storage, dissipation) depending on varying muscle fibre-tendon length ratio were provided, which enables classification and grading of different MTC designs.

Electronic Structure and Optical Properties of Cu 2ZnGeSe 4. First-Principles Calculations and Vacuum-Ultraviolet Spectroscopic Ellipsometric Studies

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

Choi, Sukgeun; Park, Ji-Sang; Donohue, Andrea

2015-11-19

Cu 2ZnGeSe 4 is of interest for the development of next-generation thin-film photovoltaic technologies. To understand its electronic structure and related fundamental optical properties, we perform first-principles calculations for three structural variations: kesterite, stannite, and primitive-mixed CuAu phases. The calculated data are compared with the room-temperature dielectric functionϵ=ϵ1+iϵ2 spectrum of polycrystalline Cu 2ZnGeSe 4 determined by vacuum-ultraviolet spectroscopic ellipsometry in the photon-energy range of 0.7 to 9.0 eV. Ellipsometric data are modeled with the sum of eight Tauc-Lorentz oscillators, and the best-fit model yields the band-gap and Tauc-gap energies of 1.25 and 1.19 eV, respectively. A comparison of overall peakmore » shapes and relative intensities between experimental spectra and the calculated ϵ data for three structural variations suggests that the sample may not have a pure (ordered) kesterite phase. We found that the complex refractive index N=n+ik, normal-incidence reflectivity R, and absorption coefficients α are calculated from the modeled ϵ spectrum, which are also compared with those of Cu 2ZnSnSe 4 . The spectral features for Cu 2ZnGeSe 4 appear to be weaker and broader than those for Cu 2ZnSnSe 4 , which is possibly due to more structural imperfections presented in Cu 2ZnGeSe 4 than Cu 2ZnSnSe 4 .« less

Event triggered state estimation techniques for power systems with integrated variable energy resources.

PubMed

Francy, Reshma C; Farid, Amro M; Youcef-Toumi, Kamal

2015-05-01

For many decades, state estimation (SE) has been a critical technology for energy management systems utilized by power system operators. Over time, it has become a mature technology that provides an accurate representation of system state under fairly stable and well understood system operation. The integration of variable energy resources (VERs) such as wind and solar generation, however, introduces new fast frequency dynamics and uncertainties into the system. Furthermore, such renewable energy is often integrated into the distribution system thus requiring real-time monitoring all the way to the periphery of the power grid topology and not just the (central) transmission system. The conventional solution is two fold: solve the SE problem (1) at a faster rate in accordance with the newly added VER dynamics and (2) for the entire power grid topology including the transmission and distribution systems. Such an approach results in exponentially growing problem sets which need to be solver at faster rates. This work seeks to address these two simultaneous requirements and builds upon two recent SE methods which incorporate event-triggering such that the state estimator is only called in the case of considerable novelty in the evolution of the system state. The first method incorporates only event-triggering while the second adds the concept of tracking. Both SE methods are demonstrated on the standard IEEE 14-bus system and the results are observed for a specific bus for two difference scenarios: (1) a spike in the wind power injection and (2) ramp events with higher variability. Relative to traditional state estimation, the numerical case studies showed that the proposed methods can result in computational time reductions of 90%. These results were supported by a theoretical discussion of the computational complexity of three SE techniques. The work concludes that the proposed SE techniques demonstrate practical improvements to the computational complexity of classical state estimation. In such a way, state estimation can continue to support the necessary control actions to mitigate the imbalances resulting from the uncertainties in renewables. Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

Understanding the evolution of anomalous anharmonicity in Bi 2 Te 3 - x Se x

DOE PAGES

Tian, Yao; Jia, Shuang; Cava, R. J.; ...

2017-03-08

The anharmonic effect in thermoelectrics has been a central topic for decades in both condensed matter physics and material science. However, despite the long-believed strong and complex anharmonicity in the Bi 2Te 3-xSe x series, experimental verification of anharmonicity and its evolution with doping remains elusive. We fill this important gap with high-resolution, temperature-dependent Raman spectroscopy in high-quality single crystals of Bi 2Te, Bi 2Te 2Se , and Bi 2Se 3 over the temperature range from 4 to 293 K. Klemens's model was employed to explain the renormalization of their phonon linewidths. The phonon energies of Bi 2Se 3 andmore » Bi 2Te 3 are analyzed in detail from three aspects: lattice expansion, cubic anharmonicity, and quartic anharmonicity. For the first time, we explain the evolution of anharmonicity in various phonon modes and across the series. Lastly, in particular, we find that the interplay between cubic and quartic anharmonicity is governed by their distinct dependence on the phonon density of states, providing insights into anomalous anharmonicity designing of new thermoelectrics.« less

Signaling complexes of voltage-gated calcium channels

PubMed Central

Turner, Ray W; Anderson, Dustin

2011-01-01

Voltage-gated calcium channels are key mediators of depolarization induced calcium entry into electrically excitable cells. There is increasing evidence that voltage-gated calcium channels, like many other types of ionic channels, do not operate in isolation, but instead form complexes with signaling molecules, G protein coupled receptors, and other types of ion channels. Furthermore, there appears to be bidirectional signaling within these protein complexes, thus allowing not only for efficient translation of calcium signals into cellular responses, but also for tight control of calcium entry per se. In this review, we will focus predominantly on signaling complexes between G protein-coupled receptors and high voltage activated calcium channels, and on complexes of voltage-gated calcium channels and members of the potassium channel superfamily. PMID:21832880

The Influence of Interfaces on Properties of Thin-Film Inorganic Structural Isomers Containing SnSe-NbSe2 Subunits.

PubMed

Alemayehu, Matti B; Falmbigl, Matthias; Ta, Kim; Johnson, David C

2015-04-28

Inorganic isomers ([SnSe]1+δ)m(NbSe2)n([SnSe]1+δ)p(NbSe2)q([SnSe]1+δ)r(NbSe2)s where m, n, p, q, r, and s are integers and m + p + r = n + q + s = 4 were prepared using the modulated elemental reactant technique. This series of all six possible isomers provides an opportunity to study the influence of interface density on properties while maintaining the same unit cell size and composition. As expected, all six compounds were observed to have the same atomic compositions and an almost constant c-axis lattice parameter of ≈4.90(5) nm, with a slight trend in the c-axis lattice parameter correlated with the different number of interfaces in the isomers: two, four and six. The structures of the constituents in the ab-plane were independent of one another, confirming the nonepitaxial relationship between them. The temperature dependent electrical resistivities revealed metallic behavior for all the six compounds. Surprisingly, the electrical resistivity at room temperature decreases with increasing number of interfaces. Hall measurements suggest this results from changes in carrier concentration, which increases with increasing thickness of the thickest SnSe block in the isomer. Carrier mobility scales with the thickness of the thickest NbSe2 block due to increased interfacial scattering as the NbSe2 blocks become thinner. The observed behavior suggests that the two constituents serve different purposes with respect to electrical transport. SnSe acts as a charge donor and NbSe2 acts as the charge transport layer. This separation of function suggests that such heterostructures can be designed to optimize performance through choice of constituent, layer thickness, and layer sequence. A simplistic model, which predicts the properties of the complex isomers from a weighted sum of the properties of building blocks, was developed. A theoretical model is needed to predict the optimal compound for specific properties among the many potential compounds that can be prepared.

Influence of dietary selenium on the disposition of arsenate in the female B6C3F{sub 1} mouse

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

Kenyon, E.M.; Hughes, M.F.; Levander, O.A.

1997-06-27

Interactions between arsenic (As) and selenium (Se) at the metabolic level are multifaceted and complex. These interactions are of practical significance because populations in various parts of the world are simultaneously exposed to inorganic As in drinking water and Se mainly in the diet at varying levels. The primary goal of this study was to investigate whether differing dietary Se status would alter the profile of urinary metabolites or their time course for elimination after exposure to arsenate [As(V)]. Weanling female 86C3F, mice were maintained for 28 d on either a control diet of powdered rodent meal sufficient in Semore » (A 0.2 ppm) or Torula yeast-based (TYB) diets deficient (B, 0.02 ppm Se), sufficient (C, 0.2 ppm Se), or excessive (D, 2.0 ppm Se) in Se; mice then received by oral gavage 5 mg (As)/kg as sodium [{sup 73}As] arsenate. The time course for elimination of total arsenic and metabolites in urine was measured over a 48-h period, and total arsenic was determined in feces and tissues at 48 h. Mice on the Se excess diet excreted a significantly higher percentage of urinary As as inorganic As, with a significantly decreased ratio of organic to inorganic As compared to Se-sufficient mice, suggesting that As methylation was decreased. Mice on the Se-deficient diet appeared to eliminate As(V), arsenite, and dimethylarsinic acid (DMA) in urine more slowly than Se-sufficient mice; however, further studies are required to confirm this finding. Mice on the Se-sufficient meal diet (A) excreted significantly less (by percent) arsenate-derived radioactivity in urine and more in feces compared to mice on the Se-sufficient TYB diet (C), with total elimination being similar for both groups. This indicates that mice on the meal diet absorbed significantly less As(V) than mice on the TYB diet, and this may be due to more fiber or {open_quotes}bulk{close_quotes} in the meal diet. 35 refs., 6 figs., 6 tabs.« less

First description of Cryptosporidium parvum in carrier pigeons (Columba livia).

PubMed

Oliveira, Bruno César Miranda; Ferrari, Elis Domingos; da Cruz Panegossi, Mariele Fernanda; Nakamura, Alex Akira; Corbucci, Flávio Sader; Nagata, Walter Bertequini; Dos Santos, Bianca Martins; Gomes, Jancarlo Ferreira; Meireles, Marcelo Vasconcelos; Widmer, Giovanni; Bresciani, Katia Denise Saraiva

2017-08-30

The carrier pigeon and the domestic pigeon are different breeds of the species Columba livia. Carrier pigeons are used for recreational activities such as bird contests and exhibitions. Due to the close contact with humans, these birds may potentially represent a public health risk, since they can host and disseminate zoonotic parasites, such as those belonging to the genus Cryptosporidium (phylum Apicomplexa). The purpose of this work was the detection by microscopic and molecular techniques of Cryptosporidium spp. oocysts in fecal samples of carrier pigeons, and subsequently to sequence the 18S ribosomal RNA marker of positive samples to identify the species. A total of 100 fecal samples were collected individually in two pigeon breeding facilities from Formiga and Araçatuba, cities located in Minas Gerais state and São Paulo state, Brazil, respectively. The age of the birds ranged from one to 12 years; 56 were females and 44 males. Fecal smears were stained with negative malachite green, whereas the molecular characterization was based on the sequence of a ∼800bp fragment of the 18S rRNA gene. Microscopic examination of fecal smears revealed 4% (4/100) oocyst positivity. On the other hand, 7% (7/100) of positivity were found using nested PCR. Three samples were 99% to 100% similar to Cryptosporidium parvum 18S rDNA type A (Genbank AH006572) and the other three samples had 99% to 100% similarity to C. parvum 18S rDNA type B (Genbank AF308600). To our knowledge, this is the first report of C. parvum oocysts in carrier pigeons. Copyright © 2017 Elsevier B.V. All rights reserved.

Socio-behavioral factors influence prevalence and severity of dental caries in children with primary dentition.

PubMed

Borges, Heloisa Carvalho; Garbín, Cléa Adas Saliba; Saliba, Orlando; Saliba, Nemre Adas; Moimaz, Suzely Adas Saliba

2012-01-01

The aim of this study was to analyze the influence of socio-behavioral variables on the prevalence and severity of dental caries in 4- to 6-year-old children. A cross-sectional study was performed on a sample of 1993 children enrolled in 58 public preschools from Araçatuba City, São Paulo State, Brazil, during 2010. The exams were made using the decayed, missing, and filled teeth index (World Health Organization methodology) and detection criteria for non-cavitated lesions. A tested, self-administered questionnaire was sent to parents to obtain information about their socio-behavioral characteristics. Standardization was performed to verify concordance among examiners (kappa = 0.84). The prevalence of cavitated caries lesions was 41.2% (821), and the prevalence of both, cavitated and non-cavitated caries lesions, was 43.9% (875). The means ± standard deviations of the decayed, missing, and filled teeth index for children aged 4, 5, and 6 years were 1.18 ± 2.45, 1.65 ± 2.67, and 1.73 ± 2.77, respectively. Caries were significantly more prevalent in children from families with low incomes and low educational levels. The presence of dental caries was associated with access to dental services (p < 0.05). The associations between both, cavitated and non-cavitated dental caries lesions, and the frequency of oral hygiene were statistically significant. The prevalence of dental caries in preschoolers was strongly associated with factors related to the children's parents. Therefore, information about parents' socio-economic status, behaviors, and attitudes in relation to oral health should be considered when planning prevention and educational programs for the oral health of preschool children.

Hypo-electronic triple-decker sandwich complexes: synthesis and structural characterization of [(Cp*Mo)2{μ-η(6):η(6)-B4H4E-Ru(CO)3}] (E = S, Se, Te or Ru(CO)3 and Cp* = η(5)-C5Me5).

PubMed

Mondal, Bijan; Bhattacharyya, Moulika; Varghese, Babu; Ghosh, Sundargopal

2016-07-05

The syntheses and structural characterization of hypo-electronic di-molybdenum triple-decker sandwich clusters are reported. Thermolysis of [Ru3(CO)12] with an in situ generated intermediate obtained from the reaction of [Cp*MoCl4] with [LiBH4·THF] yielded an electron deficient triple-decker sandwich complex, [(Cp*Mo)2{μ-η(6):η(6)-B4H4Ru2(CO)6}], . In an effort to generate analogous triple-deckers containing group-16 elements, we isolated [(Cp*Mo)2{μ-η(6):η(6)-B4H4ERu(CO)3}] (: E = Te; : E = S; : E = Se). These clusters show a high metal coordination number and cross cluster Mo-Mo bond. The formal cluster electron count of these compounds is four or three skeletal electron pairs less than required for a canonical closo-structure of the same nuclearity. Therefore, these compounds represent a novel class of triple-decker sandwich complex with 22 or 24 valence-electrons (VE), wherein the "chair" like hexagonal middle ring is composed of B, Ru and chalcogen. One of the key differences among the synthesized triple-decker molecules is the puckering nature of the middle ring [B4RuE], which increases in the order S < Se < Ru(CO)3 < Te. In addition, Fenske-Hall and quantum-chemical calculations with DFT methods at the BP86 level of theory have been used to analyze the bonding of these novel complexes. The studies not only explain the electron unsaturation of the molecules, but also reveal the reason for the significant puckering of the middle deck. All the compounds have been characterized by IR, (1)H, (11)B, and (13)C NMR spectroscopy in solution and the solid state structures were established by crystallographic analysis.

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

Lackner, Florian; Chatterley, Adam S.; Pemmaraju, C. D.

Femtosecond extreme ultraviolet transient absorption spectroscopy is used to explore strong-field ionization induced dynamics in selenophene (C 4H 4Se). The dynamics are monitored in real-time from the viewpoint of the Se atom by recording the temporal evolution of element-specific spectral features near the Se 3d inner-shell absorption edge (~58 eV). The interpretation of the experimental results is supported by first-principles time-dependent density functional theory calculations. The experiments simultaneously capture the instantaneous population of stable molecular ions, the emergence and decay of excited cation states, and the appearance of atomic fragments. The experiments reveal, in particular, insight into the strong-field inducedmore » ring-opening dynamics in the selenophene cation, which are traced by the emergence of non-cyclic molecules as well as the liberation of Se + ions within an overall time scale of approximately 170 fs. In this study, we propose that both products may be associated with dynamics on the same electronic surfaces but with different degrees of vibrational excitation. The time-dependent inner-shell absorption features provide direct evidence for a complex relaxation mechanism that may be approximated by a two-step model, whereby the initially prepared, excited cyclic cation decays within τ 1 = 80 ± 30 fs into a transient molecular species, which then gives rise to the emergence of bare Se + and ring-open cations within an additional τ 2 = 80 ± 30 fs. The combined experimental and theoretical results suggest a close relationship between σ* excited cation states and the observed ring-opening reactions. In conclusion, the findings demonstrate that the combination of femtosecond time-resolved core-level spectroscopy with ab initio estimates of spectroscopic signatures provide new insights into complex, ultrafast photochemical reactions such as ring-opening dynamics in organic molecules in real-time and with simultaneous sensitivity for electronic and structural rearrangements.« less

Direct observation of ring-opening dynamics in strong-field ionized selenophene using femtosecond inner-shell absorption spectroscopy

DOE PAGES

Lackner, Florian; Chatterley, Adam S.; Pemmaraju, C. D.; ...

2016-12-21

Femtosecond extreme ultraviolet transient absorption spectroscopy is used to explore strong-field ionization induced dynamics in selenophene (C 4H 4Se). The dynamics are monitored in real-time from the viewpoint of the Se atom by recording the temporal evolution of element-specific spectral features near the Se 3d inner-shell absorption edge (~58 eV). The interpretation of the experimental results is supported by first-principles time-dependent density functional theory calculations. The experiments simultaneously capture the instantaneous population of stable molecular ions, the emergence and decay of excited cation states, and the appearance of atomic fragments. The experiments reveal, in particular, insight into the strong-field inducedmore » ring-opening dynamics in the selenophene cation, which are traced by the emergence of non-cyclic molecules as well as the liberation of Se + ions within an overall time scale of approximately 170 fs. In this study, we propose that both products may be associated with dynamics on the same electronic surfaces but with different degrees of vibrational excitation. The time-dependent inner-shell absorption features provide direct evidence for a complex relaxation mechanism that may be approximated by a two-step model, whereby the initially prepared, excited cyclic cation decays within τ 1 = 80 ± 30 fs into a transient molecular species, which then gives rise to the emergence of bare Se + and ring-open cations within an additional τ 2 = 80 ± 30 fs. The combined experimental and theoretical results suggest a close relationship between σ* excited cation states and the observed ring-opening reactions. In conclusion, the findings demonstrate that the combination of femtosecond time-resolved core-level spectroscopy with ab initio estimates of spectroscopic signatures provide new insights into complex, ultrafast photochemical reactions such as ring-opening dynamics in organic molecules in real-time and with simultaneous sensitivity for electronic and structural rearrangements.« less

Adsorption Equilibrium and Kinetics at Goethite-Water and Related Interfaces

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

Katz, Lynn Ellen

This research study is an important component of a broader comprehensive project, “Geochemistry of Interfaces: From Surfaces to Interlayers to Clusters,” which sought to identify and evaluate the critical molecular phenomena at metal-oxide interfaces that control many geochemical and environmental processes. The primary goal of this research study was to better understand and predict adsorption of metal ions at mineral/water surfaces. Macroscopic data in traditional batch experiments was used to develop predictive models that characterize sorption in complex systems containing a wide range of background solution compositions. Our studies focused on systems involving alkaline earth metal (Mg 2+, Ca 2+,more » Sr 2+, Ba 2+) and heavy metal (Hg 2+, Co 2+, Cd 2+, Cu 2+, Zn 2+, Pb 2+) cations. The anions we selected for study included Cl -, NO 3 -, ClO 4 -, SO 4 2-, CO 3 2- and SeO 3 2- and the background electrolyte cations we examined included (Na +, K +, Rb + and Cs +) because these represent a range of ion sizes and have varying potentials for forming ion-pairs or ternary complexes with the metal ions studied. The research led to the development of a modified titration congruency approach for estimating site densities for mineral oxides such as goethite. The CD-MUSIC version of the surface complexation modeling approach was applied to potentiometric titration data and macroscopic adsorption data for single-solute heavy metals, oxyanions, alkaline earth metals and background electrolytes over a range of pH and ionic strength. The model was capable of predicting sorption in bi-solute systems containing multiple cations, cations and oxyanions, and transition metal cations and alkaline earth metal ions. Incorporation of ternary complexes was required for modeling Pb(II)-Se(IV) and Cd(II)-Se(IV) systems. -Both crystal face contributions and capacitance values were shown to be sensitive to varying specific surface area but were successfully accounted for in the modeling strategy. The insights gained from the macroscopic, spectroscopic and CD-MUSIC modeling developed in this study can be used to guide the implementation of less complex models which may be more applicable to field conditions. The findings of this research suggest that surface complexation models can be used as a predictive tool for fate and transport modeling of metal ions and oxyanions in fresh and saline systems typical of energy production waters and wastewaters.« less

Synthesis of first row transition metal selenomaltol complexes.

PubMed

Spiegel, Michael T; Hoogerbrugge, Amanda; Truksa, Shamus; Smith, Andrew G; Shuford, Kevin L; Klausmeyer, Kevin K; Farmer, Patrick J

2018-06-21

We report an efficient, one-step synthesis of the chelator 3-hydroxy-2-methyl-4-selenopyrone (selenomaltol). Complexes of selenomaltol with Fe(iii), Ni(ii), Cu(ii) and Zn(ii) have been prepared and studied by NMR, X-ray crystallography, cyclic voltammetry, EPR and electronic absorption. The Ni(ii) and Cu(ii) complexes show chemically reversible oxidations which are suggested to be ligand-based. Nuclear independent chemical shifts (NICS) analysis is used to compare aromaticity of the heterocyclic rings of selenomaltol and its chelates. The compounds described here should significantly expand the scope and utility of unusual O,Se-donor chelates.

Origins and modeling of many-body exchange effects in van der Waals clusters

NASA Astrophysics Data System (ADS)

Chałasiński, Grzegorz; Rak, Janusz; Szcześniak, Małgorzata M.; Cybulski, sławomir M.

1997-02-01

We analyze the many-body exchange interactions in atomic and molecular clusters as they arise in the supermolecular SCF and MP2 approaches. A rigorous formal setting is provided by the symmetry-adapted perturbation theory. Particular emphasis is put on the decomposition into the single exchange (SE) and triple exchange (TE) terms, at the SCF and correlated levels. We also propose a novel approach, whereby selected SE nonadditive exchange terms are evaluated indirectly, as differences of the two-body SAPT corrections arising between the components of the trimer treated as a complex of a dimer and a monomer (pseudodimer approach). This provides additional insights into the nature of various nonadditive effects, an interpretation of supermolecular interaction energies, and may serve as a viable alternative for the calculation of some SE terms.

Systems engineering and integration processes involved with manned mission operations

NASA Technical Reports Server (NTRS)

Kranz, Eugene F.; Kraft, Christopher C.

1993-01-01

This paper will discuss three mission operations functions that are illustrative of the key principles of operations SE&I and of the processes and products involved. The flight systems process was selected to illustrate the role of the systems product line in developing the depth and cross disciplinary skills needed for SE&I and providing the foundation for dialogue between participating elements. FDDD was selected to illustrate the need for a structured process to assure that SE&I provides complete and accurate results that consistently support program needs. The flight director's role in mission operations was selected to illustrate the complexity of the risk/gain tradeoffs involved in the development of the flight techniques and flight rules process as well as the absolute importance of the leadership role in developing the technical, operational, and political trades.

Expanded potential of seleno-carbohydrates as a molecular tool for X-ray structural determination of a carbohydrate-protein complex with single/multi-wavelength anomalous dispersion phasing.

PubMed

Suzuki, Tatsuya; Makyio, Hisayoshi; Ando, Hiromune; Komura, Naoko; Menjo, Masanori; Yamada, Yusuke; Imamura, Akihiro; Ishida, Hideharu; Wakatsuki, Soichi; Kato, Ryuichi; Kiso, Makoto

2014-04-01

Seleno-lactoses have been successfully synthesized as candidates for mimicking carbohydrate ligands for human galectin-9 N-terminal carbohydrate recognition domain (NCRD). Selenium was introduced into the mono- or di-saccharides using p-methylselenobenzoic anhydride (Tol2Se) as a novel selenating reagent. The TolSe-substituted monosaccharides were converted into selenoglycosyl donors or acceptors, which were reacted with coupling partners to afford seleno-lactoses. The seleno-lactoses were converted to the target compounds. The structure of human galectin-9 NCRD co-crystallized with 6-MeSe-lactose was determined with single/multi-wavelength anomalous dispersion (SAD/MAD) phasing and was similar to that of the co-crystal with natural lactose. Copyright © 2014 Elsevier Ltd. All rights reserved.

A robust statistical estimation (RoSE) algorithm jointly recovers the 3D location and intensity of single molecules accurately and precisely

NASA Astrophysics Data System (ADS)

Mazidi, Hesam; Nehorai, Arye; Lew, Matthew D.

2018-02-01

In single-molecule (SM) super-resolution microscopy, the complexity of a biological structure, high molecular density, and a low signal-to-background ratio (SBR) may lead to imaging artifacts without a robust localization algorithm. Moreover, engineered point spread functions (PSFs) for 3D imaging pose difficulties due to their intricate features. We develop a Robust Statistical Estimation algorithm, called RoSE, that enables joint estimation of the 3D location and photon counts of SMs accurately and precisely using various PSFs under conditions of high molecular density and low SBR.

Investing In The Army Organic Industrial Base To Operate And Win In A Complex And Austere Environment

DTIC Science & Technology

2016-05-26

Complex and Austere Environment Sb. GRANT NUMBER Sc. PROGRAM ELEMENT NUMBER 6. AUTHOR(S) Sd. PROJECT NUMBER MAJ Sun Ryu Se. TASK NUMBER Sf...supports the United States Armed Forces to project combat power during hostilities. In 2014, TRADOC published the new Army Operating Concept (AOC...Sustaining the Army Organic Industrial Base in the Post- Afghanistan Conflict Era” (Civilian Research Project , US Army War College, 2014), 1. 8

Towards Rapid Re-Certification Using Formal Analysis

DTIC Science & Technology

2015-05-01

Document se~urity control implementation in the security pfan 5 Assess, review, remediate… rinse, repeat… • Good in theory, but in practice ? Everything...increasing complexity. 6 What’s the risk? • Fast and loose: data spills. • Quick and dirty , miss critical faults. • Slow and steady: lose...the problem… • Brooks’ Law. • Too many cooks ! Increases accidental complexity. • “9 women can’t make a baby in 1 month!” 7 What kind of

Osmium Atoms and Os2 Molecules Move Faster on Selenium-Doped Compared to Sulfur-Doped Boronic Graphenic Surfaces.

PubMed

Barry, Nicolas P E; Pitto-Barry, Anaïs; Tran, Johanna; Spencer, Simon E F; Johansen, Adam M; Sanchez, Ana M; Dove, Andrew P; O'Reilly, Rachel K; Deeth, Robert J; Beanland, Richard; Sadler, Peter J

2015-07-28

We deposited Os atoms on S- and Se-doped boronic graphenic surfaces by electron bombardment of micelles containing 16e complexes [Os(p-cymene)(1,2-dicarba-closo-dodecarborane-1,2-diselenate/dithiolate)] encapsulated in a triblock copolymer. The surfaces were characterized by energy-dispersive X-ray (EDX) analysis and electron energy loss spectroscopy of energy filtered TEM (EFTEM). Os atoms moved ca. 26× faster on the B/Se surface compared to the B/S surface (233 ± 34 pm·s(-1) versus 8.9 ± 1.9 pm·s(-1)). Os atoms formed dimers with an average Os-Os distance of 0.284 ± 0.077 nm on the B/Se surface and 0.243 ± 0.059 nm on B/S, close to that in metallic Os. The Os2 molecules moved 0.83× and 0.65× more slowly than single Os atoms on B/S and B/Se surfaces, respectively, and again markedly faster (ca. 20×) on the B/Se surface (151 ± 45 pm·s(-1) versus 7.4 ± 2.8 pm·s(-1)). Os atom motion did not follow Brownian motion and appears to involve anchoring sites, probably S and Se atoms. The ability to control the atomic motion of metal atoms and molecules on surfaces has potential for exploitation in nanodevices of the future.

Effects of Pressure on Optically Active Deep Levels in Phosphorus Doped ZnSe

NASA Astrophysics Data System (ADS)

Weinstein, B. A.; Iota, V.

1998-03-01

We report high pressure photoluminescence (PL) and PL-excitation (PLE) studies at 8K of the 'midgap' emission in P-doped ZnSe using a diamond-cell with He medium. The dominant emission at low pressure is due to donor-acceptor-pair (DAP) transitions between shallow donors and deep trigonally relaxed P_Se acceptors.(J. Davies, et al., J. Luminescence 18/19, 322 (1979)) Its PL and PLE peaks shift by 8.2meV/kbar and 5.9meV/kbar, respectively -- Stokes shift decreasing with pressure. At 35kbar a new PL band, shifting to lower energy (-5.4meV/kbar), emerges from above the absorption edge, and concurrently the original DAP PL quenches. This shows that a resonant level, a deep donor or possibly a P_Se antibonding state,(R. Watts, et al., Phys. Rev. B3), 404 (1971) crosses the conduction edge into the gap. A third PL band is seen only with internse UV excitation. It occurs initially as a high energy shoulder of the original DAP peak, but shifts more rapidly upward (9.4meV/kbar) until it crosses the edge and quenches at 40kbar. We discuss candidates for this band, including donor-P_Se complexes, and we compare our results to similar work on the Zn vacancy in ZnSe. (figures)

Differential effects of β-mercaptoethanol on CdSe/ZnS and InP/ZnS quantum dots.

PubMed

Georgin, Marcel; Carlini, Lina; Cooper, Daniel; Bradforth, Stephen E; Nadeau, Jay L

2013-07-07

The small thiol β-mercaptoethanol (BME) has been used as an anti-blinking reagent for CdSe/ZnS quantum dots (QDs), although its effects on QD photoluminescence are complex. It acts as an antioxidant as well as a hole scavenger on both CdSe and CdTe, which leads to changes in emission intensity and lifetime that vary qualitatively according to BME concentration, time of incubation, and pH of the solution. Because the band edge energies of InP/ZnS are shifted from those of CdTe and CdSe, it may be expected that thiols including BME might be unable to trap holes from these QDs. In this study, we use steady-state and time-resolved emission spectroscopy with physical fitting models combined with blinking analysis to compare the effects of different concentrations of BME on CdSe/ZnS vs. InP/ZnS QDs over time. We also find excellent correspondence between simple physical model parameters and blinking off times, a finding that will be useful for all blinking studies involving semiconductor nanoparticles. BME alters blinking in InP/ZnS QDs with a single ZnS shell, but not those with double thickness shells. The effects are similar to those seen with CdSe/ZnS, despite very different effects of BME on steady-state spectra, and highly pH-dependent.

MONITORING AND UNDERSTANDING CONDITIONS AND TRENDS IN US ESTUARIES

EPA Science Inventory

Estuarine systems are complex and dynamic, being responsive to changes in the atmosphere, on land, and at their seaward boundary. Talks in this session describe how changes can be documented with modern quality-assured measurements including: synoptic measurements (e.g. remote se...

Differential patterns of accumulation and retention of dietary trace elements associated with coal ash during larval development and metamorphosis of an amphibian.

PubMed

Heyes, Andrew; Rowe, Christopher L; Conrad, Phillip

2014-01-01

We performed an experiment in which larval gray tree frogs (Hyla chrysoscelis) were raised through metamorphosis on diets increased with a suite of elements associated with coal combustion residues (silver [Ag], arsenic [As], cadmium [Cd], chromium [Cr], copper [Cu], mercury [Hg], lead [Pb], selenium [Se], vanadium [V], and zinc [Zn]) at "low" and "high" concentrations. We quantified accumulation of metals at three life stages (mid-larval development, initiation of metamorphosis, and completion of metamorphosis) as well as effects on survival, metabolic rate, size at metamorphosis, and duration and loss of weight during metamorphosis. Most elements were accumulated in a dose-dependent pattern by some or all life stages, although this was not the case for Hg. For most elements, larval body burdens exceeded those of later life stages in some or all treatments (control, low, or high). However for Se, As, and Hg, body burdens in control and low concentrations were increased in later compared with earlier life stages. A lack of dose-dependent accumulation of Hg suggests that the presence of high concentrations of other elements (possibly Se) either inhibited accumulation or increased depuration of Hg. The duration of metamorphosis (forelimb emergence through tail resorption) was lengthened in individuals exposed to the highest concentrations of elements, but there were no other statistically significant biological effects. This study shows that patterns of accumulation and possibly depuration of metals and trace elements are complex in animals possessing complex life cycles. Further study is required to determine specific interactions affecting these patterns, in particular which elements may be responsible for affecting accumulation or retention of Hg when organisms are exposed to complex mixtures of elements.

Visual short-term memory capacity for simple and complex objects.

PubMed

Luria, Roy; Sessa, Paola; Gotler, Alex; Jolicoeur, Pierre; Dell'Acqua, Roberto

2010-03-01

Does the capacity of visual short-term memory (VSTM) depend on the complexity of the objects represented in memory? Although some previous findings indicated lower capacity for more complex stimuli, other results suggest that complexity effects arise during retrieval (due to errors in the comparison process with what is in memory) that is not related to storage limitations of VSTM, per se. We used ERPs to track neuronal activity specifically related to retention in VSTM by measuring the sustained posterior contralateral negativity during a change detection task (which required detecting if an item was changed between a memory and a test array). The sustained posterior contralateral negativity, during the retention interval, was larger for complex objects than for simple objects, suggesting that neurons mediating VSTM needed to work harder to maintain more complex objects. This, in turn, is consistent with the view that VSTM capacity depends on complexity.

[Fluorescence Determination of Trace Se with the Hydride-K13-Rhodamine 6G System].

PubMed

Liang, Ai-hui; Li, Yuan; Huang, Shan-shan; Luo, Yang-he; Wen, Gui-qing; Jiang, Zhi-liang

2015-05-01

Se is a necessary trace element for human and animals, but the excess intake of Se caused poison. Thus, it is very important to determination of Se in foods and water. The target of this study is development of a new, sensitive and selective hydride generation-molecular fluorescence method for the determination of Se. In 0. 36 mol . L-1 sulfuric acid, NaBH4 as reducing agent, Se (IV) is reduced to H2 Se. Usin3-g I solution as absorption liquid3, I- is reduced to I- by H2Se. When adding rhodamine 6G, Rhodamine 6G and I3- form association particles, which lead to the fluorescence intensity decreased. When Se(IV) existing, Rhodamine 6G and I3- bind less, And the remaining amount of Rhodamine 6G increase. So the fluorescence intensity is enhanced. The analytical conditions were optimized, a 0. 36 ml . L-1 H2SO4, 21. 6.g . L-1 NaBH4, 23.3 µm . L-1 rhodamine 6G, and 50 µmol . L-1 KI3 were chosen for use. When the excitation wavelength is at 480nm, the Rayleigh scattering peak does not affect the fluorescence recording, and was selected for determination of Se. Under the selected conditions, Se(IV) concentration in the 0. 02~0. 60 µg . mL-1 range and the increase value of the fluorescence intensity (ΔF) at 562 nm linear relationship. The linear regression equation is ΔF562 nm =12. 6c + 20. 9. The detecton limit was 0.01 µ.g . L-1. The influence of coexistence substances on the hydride generatin-molecular fluorescence determination of 5. 07 X10(-6) mol . L-1 Se(IV) was considered in details. Results showed that this new fluorescence method is of high selectivity, that is, 0. 5 mmol. L-1 Ba2+, Ca2+, Zn2+ and Fe3+, 0. 25 mmol . L-1 . Mg2+, 0. 05 mmol . L-1 K+, 0. 2 mmol . L-1 Al3+, 0. 025 mmol . L-1 Te(VI) do not interfere with the determination. The influence of Hg2+, CD2+ and Cu2+ that precipitate with Se(IV), can be eliminated by addition of complex reagent. This hydride generation-molecular fluorescence method has been applied to determination of trace Se in water samples,

Image quality comparison between single energy and dual energy CT protocols for hepatic imaging

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

Yao, Yuan, E-mail: yuanyao@stanford.edu; Pelc, Nor

Purpose: Multi-detector computed tomography (MDCT) enables volumetric scans in a single breath hold and is clinically useful for hepatic imaging. For simple tasks, conventional single energy (SE) computed tomography (CT) images acquired at the optimal tube potential are known to have better quality than dual energy (DE) blended images. However, liver imaging is complex and often requires imaging of both structures containing iodinated contrast media, where atomic number differences are the primary contrast mechanism, and other structures, where density differences are the primary contrast mechanism. Hence it is conceivable that the broad spectrum used in a dual energy acquisition maymore » be an advantage. In this work we are interested in comparing these two imaging strategies at equal-dose and more complex settings. Methods: We developed numerical anthropomorphic phantoms to mimic realistic clinical CT scans for medium size and large size patients. MDCT images based on the defined phantoms were simulated using various SE and DE protocols at pre- and post-contrast stages. For SE CT, images from 60 kVp through 140 with 10 kVp steps were considered; for DE CT, both 80/140 and 100/140 kVp scans were simulated and linearly blended at the optimal weights. To make a fair comparison, the mAs of each scan was adjusted to match the reference radiation dose (120 kVp, 200 mAs for medium size patients and 140 kVp, 400 mAs for large size patients). Contrast-to-noise ratio (CNR) of liver against other soft tissues was used to evaluate and compare the SE and DE protocols, and multiple pre- and post-contrasted liver-tissue pairs were used to define a composite CNR. To help validate the simulation results, we conducted a small clinical study. Eighty-five 120 kVp images and 81 blended 80/140 kVp images were collected and compared through both quantitative image quality analysis and an observer study. Results: In the simulation study, we found that the CNR of pre-contrast SE image mostly increased with increasing kVp while for post-contrast imaging 90 kVp or lower yielded higher CNR images, depending on the differential iodine concentration of each tissue. Similar trends were seen in DE blended CNR and those from SE protocols. In the presence of differential iodine concentration (i.e., post-contrast), the CNR curves maximize at lower kVps (80–120), with the peak shifted rightward for larger patients. The combined pre- and post-contrast composite CNR study demonstrated that an optimal SE protocol has better performance than blended DE images, and the optimal tube potential for SE scan is around 90 kVp for a medium size patients and between 90 and 120 kVp for large size patients (although low kVp imaging requires high x-ray tube power to avoid photon starvation). Also, a tin filter added to the high kVp beam is not only beneficial for material decomposition but it improves the CNR of the DE blended images as well. The dose adjusted CNR of the clinical images also showed the same trend and radiologists favored the SE scans over blended DE images. Conclusions: Our simulation showed that an optimized SE protocol produces up to 5% higher CNR for a range of clinical tasks. The clinical study also suggested 120 kVp SE scans have better image quality than blended DE images. Hence, blended DE images do not have a fundamental CNR advantage over optimized SE images.« less

Variable-Field Analytical Ultracentrifugation: I. Time-Optimized Sedimentation Equilibrium

PubMed Central

Ma, Jia; Metrick, Michael; Ghirlando, Rodolfo; Zhao, Huaying; Schuck, Peter

2015-01-01

Sedimentation equilibrium (SE) analytical ultracentrifugation (AUC) is a gold standard for the rigorous determination of macromolecular buoyant molar masses and the thermodynamic study of reversible interactions in solution. A significant experimental drawback is the long time required to attain SE, which is usually on the order of days. We have developed a method for time-optimized SE (toSE) with defined time-varying centrifugal fields that allow SE to be attained in a significantly (up to 10-fold) shorter time than is usually required. To achieve this, numerical Lamm equation solutions for sedimentation in time-varying fields are computed based on initial estimates of macromolecular transport properties. A parameterized rotor-speed schedule is optimized with the goal of achieving a minimal time to equilibrium while limiting transient sample preconcentration at the base of the solution column. The resulting rotor-speed schedule may include multiple over- and underspeeding phases, balancing the formation of gradients from strong sedimentation fluxes with periods of high diffusional transport. The computation is carried out in a new software program called TOSE, which also facilitates convenient experimental implementation. Further, we extend AUC data analysis to sedimentation processes in such time-varying centrifugal fields. Due to the initially high centrifugal fields in toSE and the resulting strong migration, it is possible to extract sedimentation coefficient distributions from the early data. This can provide better estimates of the size of macromolecular complexes and report on sample homogeneity early on, which may be used to further refine the prediction of the rotor-speed schedule. In this manner, the toSE experiment can be adapted in real time to the system under study, maximizing both the information content and the time efficiency of SE experiments. PMID:26287634

Critical reflections on the currently leading definition of sustainable employability.

PubMed

Fleuren, Bram Bi; de Grip, Andries; Jansen, Nicole Wh; Kant, Imjert; Zijlstra, Fred Rh

2016-06-01

Sustainable employability (SE) is an important topic as it deals with employees' abilities to function adequately at work and in the labor market throughout their working lives. However, until now there has been only one attempt to define SE in the international literature (1). This first definition is a valuable contribution to the field as it rightfully describes SE as a multidimensional concept, recognizes the importance of both employee and work characteristics, and acknowledges the inherently longitudinal nature of SE. Despite these merits, we argue that this definition of SE has some serious omissions that are important in capturing SE comprehensively. Specifically, we argue that the definition could be improved in various ways, namely, it should: (i) clarify which aspects of employment constitute someone's SE; (ii) not counterintuitively treat SE as a characteristic of both the job and the employee simultaneously; (iii) not be based on the insufficiently tested assumption that achieving value in work inherently leads to SE; (iv) be formulated in a way that SE can also apply to unemployed individuals; and (v) adequately specify how the inherently longitudinal dimension of SE should be addressed. We would like to contribute to the discussion by providing guidelines for a new adjusted definition of SE that could facilitate further research on this important concept and its determinants. Introduction SE is a topic of vital importance to individual employees, organizations and society alike. It generally refers to employees' capacities to function in work throughout their working life. As participation in work is important for individuals, organizations, and society as a whole, individuals' ability to function in work is essential. For individuals, work provides meaning, financial security as well as social contacts. Organizations need productive employees to survive. Also from a societal perspective, it is important that as many people as possible participate in the labor market to maintain economic welfare (1). Moreover, as a consequence of population aging (2-6), longevity, rapid changes in technology (7, 8) and changes in the nature of work (1), both the need to promote sustainable employability of individuals in society and the complexity to succeed in doing so increase even further. Only recently, van der Klink et al provided the first definition of the concept in the international scientific literature (1, p74): "Sustainable employability means that throughout their working lives, workers can achieve tangible opportunities in the form of a set of capabilities. They also enjoy the necessary conditions that allow them to make a valuable contribution through their work, now and in the future, while safeguarding their health and welfare. This requires, on the one hand, a work context that facilitates this for them and, on the other, the attitude and motivation to exploit these opportunities." This definition is accompanied by an equally recent operationalization of SE as a set of capabilities (9). Moreover, the definition itself also appeared in an earlier Dutch publication (10), which other international publications about SE most commonly refer to [ie, in comparison with other definitions in the non-international (eg, Dutch) literature] (11-13). As mentioned, the present paper provides a critical reflection on van der Klink et al's aforementioned definition of SE (1). Merits Van der Klink et al's definition of SE (1) has three important merits. First, SE is seen as a multidimensional construct. It is presented as consisting of a broad set of opportunities for employees to create value for themselves and for their employer that cover various aspects of working. Moreover, the individual's health and well-being as well as attitudinal and motivational aspects are included in the definition as well. This acknowledgement of the multidimensionality of SE is favorable, as it illustrates the complexity of the construct and of what constitutes functioning in work. This is in accordance with the International Classification of Functioning, Disability and Health (ICF) (14), in which functioning is seen from three different perspectives (body, activities, and participation). The ICF underlines the multifaceted and complex nature of functioning in which disease, environmental factors, and personal factors play a role. Similarly, the multifaceted nature of functioning is also illustrated by the fact that different disciplines focus on different aspects to understand functioning at work (15, 16). Second, SE is (partially) defined as the degree to which (i) employees are able to work throughout their entire working lives, and (ii) their work context enables them to do so. This suggests that SE is a set of interacting characteristics of the employee and the work context that codetermine the opportunities and conditions affecting employees' capacity to participate in the labor market throughout their working lives. As such, the definition describes an equal responsibility for employee and employer to maintain the employee's ability to work. This could be considered as a great merit, as research shows how strongly an employee's ability to function is influenced by both the individual, work and work-contextual factors (17). Third, van der Klink et al's definition recognizes that SE is an inherently longitudinal construct as clearly embedded in the words "throughout their working lives". This is essential as "sustainable" necessarily implies a time dimension. Need for further development Despite the aforementioned merits, there are important needs for improvement of van der Klink et al's definition of SE. First, it is not immediately clear from the definition what particular element(s) of the work situation constitute(s) SE. The paper provides some clarity by equating SE with the capability set it propagates, as evidenced by these statements: "… in an accompanying paper also published in this issue, we report on the development and validation of a questionnaire that allows for the assessment of sustainable employability based on the concept of capability" (1, p72) and "This [capability] set, in our view, represents the best possible operationalization of sustainable employability" (1, p74). However, in the paper, SE is also referred to as being determined by a worker's capability: "this model holds that an individual's sustainable employability is determined by how he or she succeeds in converting resources into capabilities, and subsequently into work functioning, in such a way that values such as security, recognition and meaning are met"(1, p72). As it is not feasible that SE is predicted by itself in the form of a capability set, perhaps the capability set does not actually refer to SE itself but rather to a favorable employment situation that may cause SE. More clarity on this issue is needed. Second, the definition seems to treat SE as a characteristic of both the job and the individual at the same time. This is counterintuitive and problematic as the job and work context may predict an individual's ability to be sustainably employed, but they can never be aspects that are part of SE. Instead, employability is a characteristic of the individual alone. Of course the individual's ability to be employed does depend on work and work-contextual factors, but these should be predictors and not be embedded in the construct itself. For an adequate definition of SE, it is essential to disentangle these relationships between causes (employment) and effects (employability). Moreover, future approaches should treat SE as an individual characteristic that is an outcome of the complex interaction between other individual, work, and work-contextual characteristics. Third, the definition and operationalization of SE assume that achieving value in work inherently predicts SE and that, therefore, SE can be conceptualized as achieving value in work. This is problematic, as before such claims can be made, such relationships need to be tested with SE as criterion. This is, however, impossible within the approach van der Klink et al provides. (1), as SE is equated with its predictor(s). Therefore, similar to the first conceptual issue, it seems unlikely that the capability set adequately reflects SE. Fourth, the definition by van der Klink et al (1) suggests that SE only applies to individuals who are employed. In the Abma et al publication (9), which accompanies van der Klink's definition paper as a validation paper, this is shown by the way in which capabilities are measured. Moreover, the definition also suggests this because individuals can only be considered to be sustainably employable if their work context enables them to achieve tangible opportunities. However, individuals who are not currently working can still be highly employable and even sustainably so, but just be between jobs. It is therefore not required for individuals to be enabled by their employer to be sustainably employable. Consequently, in line with our aforementioned points on improving the definition, being enabled by an employer to achieve value may be an important predictor of SE, but it is not necessarily part of SE itself. Moreover, future approaches to SE should define the concept in such a way that it is applicable to every individual regardless of employment status. Finally, the definition and operationalization of SE in the form of a capability set do not include any specification on how the longitudinal aspect of SE should be captured. The definition rightfully acknowledges the longitudinal dimension of SE, but its operationalization focuses solely on achieving value. Although achieving value at work may be an important predictor of SE, a complete operationalization and definition should include its longitudinal nature as well. Outlook In conclusion, while van der Klink et al's definition of SE (1) does have strong merits, it requires further improvement. The approach's main drawback is that capabilities seem more apt at describing a potentially important set of predictor(s) of SE than at capturing the construct itself. Either way, future developments in conceptualizing SE should build on the aforementioned merits, but also define SE in a way that (i) clearly labels which aspects of the employment situation constitute SE; (ii) explicitly separates causes and effects; (iii) treats SE as an individual characteristic that may be affected by other employment characteristics at the individual, work, and work-contextual levels; (iv) makes the concept applicable to any individual regardless of their employment status; and (v) clearly addresses the longitudinal nature of SE as embedded in the word "sustainable". These guidelines should not only enable the development of an appropriate definition of SE but also a conceptually sound way of measuring the construct.

Eruption processes and deposit characteristics at the monogenetic Mt. Gambier Volcanic Complex, SE Australia: implications for alternating magmatic and phreatomagmatic activity

NASA Astrophysics Data System (ADS)

van Otterloo, Jozua; Cas, Raymond A. F.; Sheard, Malcolm J.

2013-08-01

The ˜5 ka Mt. Gambier Volcanic Complex in the Newer Volcanics Province, Australia is an extremely complex monogenetic, volcanic system that preserves at least 14 eruption points aligned along a fissure system. The complex stratigraphy can be subdivided into six main facies that record alternations between magmatic and phreatomagmatic eruption styles in a random manner. The facies are (1) coherent to vesicular fragmental alkali basalt (effusive/Hawaiian spatter and lava flows); (2) massive scoriaceous fine lapilli with coarse ash (Strombolian fallout); (3) bedded scoriaceous fine lapilli tuff (violent Strombolian fallout); (4) thin-medium bedded, undulating very fine lapilli in coarse ash (dry phreatomagmatic surge-modified fallout); (5) palagonite-altered, cross-bedded, medium lapilli to fine ash (wet phreatomagmatic base surges); and (6) massive, palagonite-altered, very poorly sorted tuff breccia and lapilli tuff (phreato-Vulcanian pyroclastic flows). Since most deposits are lithified, to quantify the grain size distributions (GSDs), image analysis was performed. The facies are distinct based on their GSDs and the fine ash to coarse+fine ash ratios. These provide insights into the fragmentation intensities and water-magma interaction efficiencies for each facies. The eruption chronology indicates a random spatial and temporal sequence of occurrence of eruption styles, except for a "magmatic horizon" of effusive activity occurring at both ends of the volcanic complex simultaneously. The eruption foci are located along NW-SE trending lineaments, indicating that the complex was fed by multiple dykes following the subsurface structures related to the Tartwaup Fault System. Possible factors causing vent migration along these dykes and changes in eruption styles include differences in magma ascent rates, viscosity, crystallinity, degassing and magma discharge rate, as well as hydrological parameters.

Synthesis and antitumor activity of seleno- and thio-purines complexed with cis-diamminoplatinum (II).

PubMed

Maeda, M; Abiko, N; Sasaki, T

1982-02-01

cis-Diamminoplatinum (II) complexes with selenoguanine, thioguanine, 6-thioxanthine, or 6-mercaptopurine were synthesized by the reaction of stoichiometric amounts of selenopurine or thiopurine with aquated cis-dichlorodimmineplatinum (II) in slightly acidic medium, and their antitumor activity was studied against L1210 cells in mice. These compounds exhibited a medium antitumor activity with very low toxicity. The antitumor activity was dependent on the nature of the purine ligand. These complexes were very stable in various aqueous solvents at 37 degrees C for 10 d but not in the presence of mouse serum. The mechanism of the action effected by the complex is not clear. However, the slow release of an antitumor active purine from the complex, SeG-Pt (NH3)2, was observed.

A faster Rubisco with potential to increase photosynthesis in crops.

PubMed

Lin, Myat T; Occhialini, Alessandro; Andralojc, P John; Parry, Martin A J; Hanson, Maureen R

2014-09-25

In photosynthetic organisms, D-ribulose-1,5-bisphosphate carboxylase/oxygenase (Rubisco) is the major enzyme assimilating atmospheric CO2 into the biosphere. Owing to the wasteful oxygenase activity and slow turnover of Rubisco, the enzyme is among the most important targets for improving the photosynthetic efficiency of vascular plants. It has been anticipated that introducing the CO2-concentrating mechanism (CCM) from cyanobacteria into plants could enhance crop yield. However, the complex nature of Rubisco's assembly has made manipulation of the enzyme extremely challenging, and attempts to replace it in plants with the enzymes from cyanobacteria and red algae have not been successful. Here we report two transplastomic tobacco lines with functional Rubisco from the cyanobacterium Synechococcus elongatus PCC7942 (Se7942). We knocked out the native tobacco gene encoding the large subunit of Rubisco by inserting the large and small subunit genes of the Se7942 enzyme, in combination with either the corresponding Se7942 assembly chaperone, RbcX, or an internal carboxysomal protein, CcmM35, which incorporates three small subunit-like domains. Se7942 Rubisco and CcmM35 formed macromolecular complexes within the chloroplast stroma, mirroring an early step in the biogenesis of cyanobacterial β-carboxysomes. Both transformed lines were photosynthetically competent, supporting autotrophic growth, and their respective forms of Rubisco had higher rates of CO2 fixation per unit of enzyme than the tobacco control. These transplastomic tobacco lines represent an important step towards improved photosynthesis in plants and will be valuable hosts for future addition of the remaining components of the cyanobacterial CCM, such as inorganic carbon transporters and the β-carboxysome shell proteins.

Radiation absorbed by a vertical cylinder in complex outdoor environments under clear sky conditions

NASA Astrophysics Data System (ADS)

Krys, S. A.; Brown, R. D.

1990-06-01

Research was conducted into the estimation of radiation absorbed by a vertical cylinder in complex outdoor environments under clear sky conditions. Two methods of estimation were employed: a cylindrical radiation thermometer (CRT) and model developed by Brown and Gillespie (1986), and the weather station model. The CRT produced an integrated temperature reading from which the radiant environment could be estimated successfully given simultaneous measurements of air temperature and wind speed. The CRT estimates compared to the measured radiation gave a correlation coefficient of 0.9499, SE=19.8 W/m2, α=99.9%. The physically-based equations (weather station model)require the inputs of data from a near by weather station and site characteristics to estimate radiation absorbed by a vertical cylinder. The correlation coefficient for the weather station model is 0.9529, SE=16.8 W/m2, α=99.9%. This model estimates short wave and long wave radiation separately; hence, this allowed further comparison to measured values. The short wave radiation was very successfully estimated: R=0.9865, SE=10.0 W/m2, α=99.9%. The long wave radiation estimates were also successful: R=0.8654, SE=15.7 W/m2, and α=99.9%. Though the correlation coefficient and standard error may suggest inaccuracy to the micrometeorologist, these estimation techniques would be extremely useful as predictors of human thermal comfort which is not a precise measure buut defined by a range. The reported methods require little specialized knowledge of micrometeorology and are vehicles for the designers of outdoor spaces to measure accurately the inherent radiant environment of outdoor spaces and provide a measurement technique to simulate or model the effect of various landscape elements on planned environments.

Pro Se Court: A Simulation Game

ERIC Educational Resources Information Center

Gallagher, Arlene F.; Hartstein, Elliott

1973-01-01

The complexities of courtroom procedure and rule of evidence often dissuade the classroom teacher from using the mock trial strategy. This model has been designed for role playing and for focusing on the judicial decision-making process: deliberation on the issues of a case. (Author/JB)

Quality control considerations for size exclusion chromatography with online ICP-MS: a powerful tool for evaluating the size dependence of metal-organic matter complexation.

PubMed

McKenzie, Erica R; Young, Thomas M

2013-01-01

Size exclusion chromatography (SEC), which separates molecules based on molecular volume, can be coupled with online inductively coupled plasma mass spectrometry (ICP-MS) to explore size-dependent metal-natural organic matter (NOM) complexation. To make effective use of this analytical dual detector system, the operator should be mindful of quality control measures. Al, Cr, Fe, Se, and Sn all exhibited columnless attenuation, which indicated unintended interactions with system components. Based on signal-to-noise ratio and peak reproducibility between duplicate analyses of environmental samples, consistent peak time and height were observed for Mg, Cl, Mn, Cu, Br, and Pb. Al, V, Fe, Co, Ni, Zn, Se, Cd, Sn, and Sb were less consistent overall, but produced consistent measurements in select samples. Ultrafiltering and centrifuging produced similar peak distributions, but glass fiber filtration produced more high molecular weight (MW) peaks. Storage in glass also produced more high MW peaks than did plastic bottles.

Alternative descriptions of wave and particle aspects of the harmonic oscillator

NASA Technical Reports Server (NTRS)

Schuch, Dieter

1993-01-01

The dynamical properties of the wave and particle aspects of the harmonic oscillator can be studied with the help of the time-dependent Schroedinger equation (SE). Especially the time-dependence of maximum and width of Gaussian wave packet solutions allow to show the evolution and connections of those two complementary aspects. The investigation of the relations between the equations describing wave and particle aspects leads to an alternative description of the considered systems. This can be achieved by means of a Newtonian equation for a complex variable in connection with a conservation law for a nonclassical angular momentum-type quantity. With the help of this complex variable, it is also possible to develop a Hamiltonian formalism for the wave aspect contained in the SE, which allows to describe the dynamics of the position and momentum uncertainties. In this case the Hamiltonian function is equivalent to the difference between the mean value of the Hamiltonian operator and the classical Hamiltonian function.

The Comparative Studies of Binding Activity of Curcumin and Didemethylated Curcumin with Selenite: Hydrogen Bonding vs Acid-Base Interactions.

PubMed

Liao, Jiahn-Haur; Wu, Tzu-Hua; Chen, Ming-Yi; Chen, Wei-Ting; Lu, Shou-Yun; Wang, Yi-Hsuan; Wang, Shao-Pin; Hsu, Yen-Min; Huang, Yi-Shiang; Huang, Zih-You; Lin, Yu-Ching; Chang, Ching-Ming; Huang, Fu-Yung; Wu, Shih-Hsiung

2015-12-04

In this report, the in vitro relative capabilities of curcumin (CCM) and didemethylated curcumin (DCCM) in preventing the selenite-induced crystallin aggregation were investigated by turbidity tests and isothermal titration calorimetry (ITC). DCCM showed better activity than CCM. The conformers of CCM/SeO3(2-) and DCCM/SeO3(2-) complexes were optimized by molecular orbital calculations. Results reveal that the selenite anion surrounded by CCM through the H-bonding between CCM and selenite, which is also observed via IR and NMR studied. For DCCM, the primary driving force is the formation of an acid-base adduct with selenite showing that the phenolic OH group of DCCM was responsible for forming major conformer of DCCM. The formation mechanisms of selenite complexes with CCM or DCCM explain why DCCM has greater activity than CCM in extenuating the toxicity of selenite as to prevent selenite-induced lens protein aggregation.

Plant-beneficial elements status assessment in soil-plant system in the vicinity of a chemical industry complex: shedding light on forage grass safety issues.

PubMed

Anjum, Naser A; Duarte, Armando C; Pereira, Eduarda; Ahmad, Iqbal

2015-02-01

Human health is closely linked with soils via plants, grazers, or plant-based products. This study estimated plant-beneficial elements (macronutrients: K, P; secondary macronutrients: Ca, Mg; micronutrients: Mo, Mn, Na, Ni, Se) in both soils and shoots of two forage grass species (Eriophorum angustifolium and Lolium perenne) prevalent in the vicinity of a chemical industry complex (Estarreja, Portugal). Both soils and plants from the chemical industrial areas exhibited differential concentrations of the studied elements. In soils, the role of contamination was evidenced as insignificant in context of its impact on all the tested macro and secondary macronutrients except P, and micronutrients such as Mo and Ni. In forage grass plant shoots, the role of contamination was evidenced as insignificant in relation to its impact on all the tested macro and secondary macronutrients except K. Between the two forage grass plants, high Se-harboring L. perenne cannot be recommended for its use as animal feed.

Genetic variance estimation with imputed variants finds negligible missing heritability for human height and body mass index

PubMed Central

Yang, Jian; Bakshi, Andrew; Zhu, Zhihong; Hemani, Gibran; Vinkhuyzen, Anna A.E.; Lee, Sang Hong; Robinson, Matthew R.; Perry, John R.B.; Nolte, Ilja M.; van Vliet-Ostaptchouk, Jana V.; Snieder, Harold; Esko, Tonu; Milani, Lili; Mägi, Reedik; Metspalu, Andres; Hamsten, Anders; Magnusson, Patrik K.E.; Pedersen, Nancy L.; Ingelsson, Erik; Soranzo, Nicole; Keller, Matthew C.; Wray, Naomi R.; Goddard, Michael E.; Visscher, Peter M.

2015-01-01

We propose a method (GREML-LDMS) to estimate heritability for human complex traits in unrelated individuals using whole-genome sequencing (WGS) data. We demonstrate using simulations based on WGS data that ~97% and ~68% of variation at common and rare variants, respectively, can be captured by imputation. Using the GREML-LDMS method, we estimate from 44,126 unrelated individuals that all ~17M imputed variants explain 56% (s.e. = 2.3%) of variance for height and 27% (s.e. = 2.5%) for body mass index (BMI), and find evidence that height- and BMI-associated variants have been under natural selection. Considering imperfect tagging of imputation and potential overestimation of heritability from previous family-based studies, heritability is likely to be 60–70% for height and 30–40% for BMI. Therefore, missing heritability is small for both traits. For further gene discovery of complex traits, a design with SNP arrays followed by imputation is more cost-effective than WGS at current prices. PMID:26323059

Activation Thermodynamics and H/D Kinetic Isotope Effect of the H ox to H red H + Transition in [FeFe] Hydrogenase

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

Ratzloff, Michael W.; Wilker, Molly B.; Mulder, David W.

Molecular complexes between CdSe nanocrystals and Clostridium acetobutylicum [FeFe] hydrogenase I (CaI) enabled light-driven control of electron transfer for spectroscopic detection of redox intermediates during catalytic proton reduction. Here in this paper we address the route of electron transfer from CdSe→CaI and activation thermodynamics of the initial step of proton reduction in CaI. The electron paramagnetic spectroscopy of illuminated CdSe:CaI showed how the CaI accessory FeS cluster chain (F-clusters) functions in electron transfer with CdSe. The H ox→H redH + reduction step measured by Fourier-transform infrared spectroscopy showed an enthalpy of activation of 19 kJ mol -1 and a ~2.5-foldmore » kinetic isotope effect. Overall these results support electron injection from CdSe into CaI involving F-clusters, and that the H ox→H redH + step of catalytic proton reduction in CaI proceeds by a proton-dependent process.« less

Nonstoichiometry and luminescent properties of ZnSe crystals grown from the melt at high pressures

NASA Astrophysics Data System (ADS)

Khanh, Tran; Mozhevitina, Elena; Khomyakov, Andrew; Avetisov, Roman; Davydov, Albert; Chegnov, Vladimir; Antonov, Vladimir; Kobeleva, Svetlana; Zhavoronkov, Nikolai; Avetissov, Igor

2017-01-01

50 mm diameter ZnSe crystals have been grown from the melt by a vertical Bridgman technique at 100 atm argon pressure in a graphite crucible. 3D impurities concentration and nonstoichiometry mappings of the grown crystals have been defined by ICP-MS and a direct physic-chemical method, correspondingly. Photoluminescence mapping of the analyzed crystal has been done. It was found out that along the crystal height the nonstoichiometry changed from Se excess over stoichiometrical composition in the cone (bottom) part to Zn excess in the tail (upper) part passing through the stoichiometrical composition in the cylindrical part of the crystal. Metal impurities concentrated in the upper part of the crystal. The gas-forming impurities (H, C, O, N, F) had stochastic distribution but Cl impurity concentrated in the crystal peripheral part (near the crucible walls). It was found out that the as-grown crystal had a single wide PL peal with maximum of 583 nm. A proposal about complex structure luminescent center based on Cl dopant an overstoichiometric Se has been made.

Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications

PubMed Central

2016-01-01

Semiempirical (SE) methods can be derived from either Hartree–Fock or density functional theory by applying systematic approximations, leading to efficient computational schemes that are several orders of magnitude faster than ab initio calculations. Such numerical efficiency, in combination with modern computational facilities and linear scaling algorithms, allows application of SE methods to very large molecular systems with extensive conformational sampling. To reliably model the structure, dynamics, and reactivity of biological and other soft matter systems, however, good accuracy for the description of noncovalent interactions is required. In this review, we analyze popular SE approaches in terms of their ability to model noncovalent interactions, especially in the context of describing biomolecules, water solution, and organic materials. We discuss the most significant errors and proposed correction schemes, and we review their performance using standard test sets of molecular systems for quantum chemical methods and several recent applications. The general goal is to highlight both the value and limitations of SE methods and stimulate further developments that allow them to effectively complement ab initio methods in the analysis of complex molecular systems. PMID:27074247

[The selenium haemostasis during experimental anaphylaxis reaction in rats treated with reduced glutathione and selenium enriched spirulina].

PubMed

Golubkina, N A; Mazo, V K; Gmoshinskiĭ, I V; Zorin, S N; Tambiev, A Kh; Kirikova, N N

2000-01-01

The main events caused by anaphilaxis in selenium haemostasis in rats include significant increase of selenium excretion with urine (6.36 +/- 1.18 nM Se/18 h., n = 10, compared with 1.72 +/- 0.38 nM Se/18 h., n = 10) and decrease of selenium plasma/selenium erythrocytes ratio from 0.939 to 0.791. Reduced glutathione (G-SH) administration led to 1.5-fold decrease of plasma selenium level and 1.3-fold increase of selenium concentration in intestinal walls of sensitized rats (r = -0.720, P < 0.001). Chromatographic separation of plasma proteins showed that intragastric intubation of G-SH to sensibilized rats significantly decreased the protein P content and did not influence the concentration of Se-GSHPx, thus indicating the local selenium acceptor role of G-SH. G-SH administration did not influence the intestinal permeability in sensitised rats while use of complex additive: G-SH and selenium enriched spirulina--normalized the latter parameter and the ratio of protein P/Se-GSHPx in plasma.

Improving polymer/nanocrystal hybrid solar cell performance via tuning ligand orientation at CdSe quantum dot surface.

PubMed

Fu, Weifei; Wang, Ling; Zhang, Yanfang; Ma, Ruisong; Zuo, Lijian; Mai, Jiangquan; Lau, Tsz-Ki; Du, Shixuan; Lu, Xinhui; Shi, Minmin; Li, Hanying; Chen, Hongzheng

2014-11-12

Achieving superior solar cell performance based on the colloidal nanocrystals remains challenging due to their complex surface composition. Much attention has been devoted to the development of effective surface modification strategies to enhance electronic coupling between the nanocrystals to promote charge carrier transport. Herein, we aim to attach benzenedithiol ligands onto the surface of CdSe nanocrystals in the "face-on" geometry to minimize the nanocrystal-nanocrystal or polymer-nanocrystal distance. Furthermore, the "electroactive" π-orbitals of the benzenedithiol are expected to further enhance the electronic coupling, which facilitates charge carrier dissociation and transport. The electron mobility of CdSe QD films was improved 20 times by tuning the ligand orientation, and high performance poly[2,6-(4,4-bis(2-ethylhexyl)-4H-cyclopenta[2,1-b;3,4-b']-dithiophene)-alt-4,7-(2,1,3-benzothiadiazole)] (PCPDTBT):CdSe nanocrystal hybrid solar cells were also achieved, showing a highest power conversion efficiency of 4.18%. This research could open up a new pathway to improve further the performance of colloidal nanocrystal based solar cells.

Activation Thermodynamics and H/D Kinetic Isotope Effect of the H ox to H red H + Transition in [FeFe] Hydrogenase

DOE PAGES

Ratzloff, Michael W.; Wilker, Molly B.; Mulder, David W.; ...

2017-08-29

Molecular complexes between CdSe nanocrystals and Clostridium acetobutylicum [FeFe] hydrogenase I (CaI) enabled light-driven control of electron transfer for spectroscopic detection of redox intermediates during catalytic proton reduction. Here in this paper we address the route of electron transfer from CdSe→CaI and activation thermodynamics of the initial step of proton reduction in CaI. The electron paramagnetic spectroscopy of illuminated CdSe:CaI showed how the CaI accessory FeS cluster chain (F-clusters) functions in electron transfer with CdSe. The H ox→H redH + reduction step measured by Fourier-transform infrared spectroscopy showed an enthalpy of activation of 19 kJ mol -1 and a ~2.5-foldmore » kinetic isotope effect. Overall these results support electron injection from CdSe into CaI involving F-clusters, and that the H ox→H redH + step of catalytic proton reduction in CaI proceeds by a proton-dependent process.« less

MyoD- and FoxO3-mediated hotspot interaction orchestrates super-enhancer activity during myogenic differentiation

PubMed Central

Peng, Xianlu L.; So, Karl K.; He, Liangqiang; Zhao, Yu; Zhou, Jiajian; Li, Yuying; Yao, Mingze; Xu, Bo; Zhang, Suyang; Yao, Hongjie; Hu, Ping

2017-01-01

Abstract Super-enhancers (SEs) are cis-regulatory elements enriching lineage specific key transcription factors (TFs) to form hotspots. A paucity of identification and functional dissection promoted us to investigate SEs during myoblast differentiation. ChIP-seq analysis of histone marks leads to the uncovering of SEs which remodel progressively during the course of differentiation. Further analyses of TF ChIP-seq enable the definition of SE hotspots co-bound by the master TF, MyoD and other TFs, among which we perform in-depth dissection for MyoD/FoxO3 interaction in driving the hotspots formation and SE activation. Furthermore, using Myogenin as a model locus, we elucidate the hierarchical and complex interactions among hotspots during the differentiation, demonstrating SE function is propelled by the physical and functional cooperation among hotspots. Finally, we show MyoD and FoxO3 are key in orchestrating the Myogenin hotspots interaction and activation. Altogether our results identify muscle-specific SEs and provide mechanistic insights into the functionality of SE. PMID:28575289

Highly Efficient and Reliable Transparent Electromagnetic Interference Shielding Film.

PubMed

Jia, Li-Chuan; Yan, Ding-Xiang; Liu, Xiaofeng; Ma, Rujun; Wu, Hong-Yuan; Li, Zhong-Ming

2018-04-11

Electromagnetic protection in optoelectronic instruments such as optical windows and electronic displays is challenging because of the essential requirements of a high optical transmittance and an electromagnetic interference (EMI) shielding effectiveness (SE). Herein, we demonstrate the creation of an efficient transparent EMI shielding film that is composed of calcium alginate (CA), silver nanowires (AgNWs), and polyurethane (PU), via a facile and low-cost Mayer-rod coating method. The CA/AgNW/PU film with a high optical transmittance of 92% achieves an EMI SE of 20.7 dB, which meets the requirements for commercial shielding applications. A superior EMI SE of 31.3 dB could be achieved, whereas the transparent film still maintains a transmittance of 81%. The integrated efficient EMI SE and high transmittance are superior to those of most previously reported transparent EMI shielding materials. Moreover, our transparent films exhibit a highly reliable shielding ability in a complex service environment, with 98 and 96% EMI SE retentions even after 30 min of ultrasound treatment and 5000 bending cycles (1.5 mm radius), respectively. The comprehensive performance that is associated with the facile fabrication strategy imparts the CA/AgNW/PU film with great potential as an optimized EMI shielding material in emerging optoelectronic devices, such as flexible solar cells, displays, and touch panels.

Tellurium Distribution and Speciation in Contaminated Soils from Abandoned Mine Tailings: Comparison with Selenium.

PubMed

Qin, Hai-Bo; Takeichi, Yasuo; Nitani, Hiroaki; Terada, Yasuko; Takahashi, Yoshio

2017-06-06

The distribution and chemical species of tellurium (Te) in contaminated soil were determined by a combination of microfocused X-ray fluorescence (μ-XRF), X-ray diffraction (μ-XRD), and X-ray absorption fine structure (μ-XAFS) techniques. Results showed that Te was present as a mixture of Te(VI) and Te(IV) species, while selenium (Se) was predominantly present in the form of Se(IV) in the soil contaminated by abandoned mine tailings. In the contaminated soil, Fe(III) hydroxides were the host phases for Se(IV), Te(IV), and Te(VI), but Te(IV) could be also retained by illite. The difference in speciation and solubility of Se and Te in soil can result from different structures of surface complexes for Se and Te onto Fe(III) hydroxides. Furthermore, our results suggest that the retention of Te(IV) in soil could be relatively weaker than that of Te(VI) due to structural incorporation of Te(VI) into Fe(III) hydroxides. These findings are of geochemical and environmental significance for better understanding the solubility, mobility, and bioavailability of Te in the surface environment. To the best of our knowledge, this is the first study reporting the speciation and host phases of Te in field soil by the μ-XRF-XRD-XAFS techniques.

Idiosyncrasies of volcanic sulfur viscosity and the triggering of unheralded volcanic eruptions

NASA Astrophysics Data System (ADS)

Scolamacchia, Teresa; Cronin, Shane

2016-03-01

Unheralded "blue-sky" eruptions from dormant volcanoes cause serious fatalities, such as at Mt. Ontake (Japan) on 27 September 2014. Could these events result from magmatic gas being trapped within hydrothermal system aquifers by elemental sulfur (Se) clogging pores, due to sharp increases in its viscosity when heated above 159oC? This mechanism was thought to prime unheralded eruptions at Mt. Ruapehu in New Zealand. Impurities in sulfur (As, Te, Se) are known to modify S-viscosity and industry experiments showed that organic compounds, H2S, and halogens dramatically influence Se viscosity under typical hydrothermal heating/cooling rates and temperature thresholds. However, the effects of complex sulfur compositions are currently ignored at volcanoes, despite its near ubiquity in long-lived volcano-hydrothermal systems. Models of impure S behavior must be urgently formulated to detect pre-eruptive warning signs before the next "blue-sky" eruption

Reaction mechanism of molybdoenzyme formate dehydrogenase.

PubMed

Leopoldini, Monica; Chiodo, Sandro G; Toscano, Marirosa; Russo, Nino

2008-01-01

Formate dehydrogenase is a molybdoenzyme of the anaerobic formate hydrogen lyase complex of the Escherichia coli microorganism that catalyzes the oxidation of formate to carbon dioxide. The two proposed mechanisms of reaction, which differ in the occurrence of a direct coordination or not of a SeCys residue to the molybdenum metal during catalysis were analyzed at the density functional level in both vacuum and protein environments. Some DF functionals, in addition to the very popular B3LYP one, were employed to compute barrier heights. Results revealed the role played by the SeCys residue in performing the abstraction of the proton from the formate substrate. The computation of the energetic profiles for both mechanisms indicated that the reaction barriers are higher when the selenium is directly coordinated to the metal, whereas less energy is required when SeCys is not a ligand at the molybdenum site.

Shielding Effectiveness in a Two-Dimensional Reverberation Chamber Using Finite-Element Techniques

NASA Technical Reports Server (NTRS)

Bunting, Charles F.

2006-01-01

Reverberation chambers are attaining an increased importance in determination of electromagnetic susceptibility of avionics equipment. Given the nature of the variable boundary condition, the ability of a given source to couple energy into certain modes and the passband characteristic due the chamber Q, the fields are typically characterized by statistical means. The emphasis of this work is to apply finite-element techniques at cutoff to the analysis of a two-dimensional structure to examine the notion of shielding-effectiveness issues in a reverberating environment. Simulated mechanical stirring will be used to obtain the appropriate statistical field distribution. The shielding effectiveness (SE) in a simulated reverberating environment is compared to measurements in a reverberation chamber. A log-normal distribution for the SE is observed with implications for system designers. The work is intended to provide further refinement in the consideration of SE in a complex electromagnetic environment.

Possibilities of new materials surface sensibility express determination based on ZnSe-CdS system by pH isoelectric state measurements of the surface state

NASA Astrophysics Data System (ADS)

Kirovskaya, I. A.; Mironova, E. V.; Ushakov, O. V.; Nor, P. E.; Yureva, A. V.; Matyash, Yu I.

2018-01-01

A method for determining the hydrogen index of the surfaces isoelectric state (pHiso) at various gases pressures -possible components of the surrounding and technological media has been developed. With its use, changes in pH of binary and more complex semiconductors-components of the new system-ZnSe-CdS under the influence of nitrogen dioxide-have been found. The limiting sensitivity of surfaces - minimum PNO2, causing a change in pH has been estimated. The most active components of ZnSe-CdS system, recommended as materials for measuring cells of NO2, have been revealed. The relationship between the changing patterns with the composition of surface (acid-base) and bulk (in particular, theoretical calculated crystal density) properties has been established, allowing to find the most effective materials for sensor technology and for semiconductor analysis.

Studies on the origin and transformation of selenium and its chemical species along the process of petroleum refining

NASA Astrophysics Data System (ADS)

Stivanin de Almeida, Cibele M.; Ribeiro, Anderson S.; Saint'Pierre, Tatiana D.; Miekeley, Norbert

2009-06-01

Inductively coupled plasma optical emission spectrometry and mass spectrometry (ICPMS), the latter hyphenated to flow injection hydride generation, electrothermal vaporization or ion chromatography, have been applied to the chemical characterization of crude oil, aqueous process stream samples and wastewaters from a petroleum refinery, in order to get information on the behavior of selenium and its chemical species along effluent generation and treatment. Multielemental characterization of these effluents by ICPMS revealed a complex composition of most of them, with high salinity and potential spectral and non-spectral interferents present. For this reason, a critical re-assessment of the analytical techniques for the determination of total selenium and its species was performed. Methane was employed as gas in dynamic reaction cell ICPMS and cell parameters were optimized for a simulated brine matrix and for diluted aqueous solutions to match the expected process and treated wastewaters samples. The signal-to-background ratios for 78Se and 80Se were used as criteria in optimization, the first isotope resulting in better detection limits for the simulated brine matrix ( 78Se: 0.07 μg L - 1 , 80Se: 0.31 μg L - 1 ). A large variability in the concentration of selenium (from < 10 μg kg - 1 up to 960 μg kg - 1 ) was observed in 16 of the most frequently processed crude oil samples in the refinery here investigated, which may explain the pronounced concentrations changes of this element measured in aqueous process stream and wastewater samples. Highest concentrations of total selenium were analyzed in samples from the hydrotreater (up to about 1800 μg L - 1 ). The predominance of selenocyanate (SeCN -) was observed in most of the wastewaters so far investigated, but also other species were detected with retention times different from Se(IV), Se(VI) and SeCN -. Colloidal selenium (Se 0) was the only Se-species observed in samples from the atmospheric distillation unit, but was also identified in other samples, most probably formed by the decomposition of SeCN - or other unstable species.

Controlling the magic and normal sizes of white CdSe quantum dots

NASA Astrophysics Data System (ADS)

Su, Yu-Sheng; Chung, Shu-Ru

2017-08-01

In this study, we have demonstrated a facile chemical route to prepare CdSe QDs with white light emission, and the performance of white CdSe-based white light emitting diode (WLED) is also exploded. An organic oleic acid (OA) is used to form Cd-OA complex first and hexadecylamine (HDA) and 1-octadecene (ODE) is used as surfactants. Meanwhile, by varying the reaction time from 1 s to 60 min, CdSe QDs with white light can be obtained. The result shows that the luminescence spectra compose two obvious emission peaks and entire visible light from 400 to 700 nm, when the reaction time less than 10 min. The wide emission wavelength combine two particle sizes of CdSe, magic and normal, and the magic-CdSe has band-edge and surface-state emission, while normal size only possess band-edge emission. The TEM characterization shows that the two different sizes with diameter of 1.5 nm and 2.7 nm for magic and normal size CdSe QDs can be obtained when the reaction time is 4 min. We can find that the magic size of CdSe is produced when the reaction time is less than 3 min. In the time ranges from 3 to 10 min, two sizes of CdSe QDs are formed, and with QY from 20 to 60 %. Prolong the reaction time to 60 min, only normal size of CdSe QD can be observed due to the Ostwald repining, and its QYs is 8 %. Based on the results we can conclude that the two emission peaks are generated from the coexistence of magic size and normal size CdSe to form the white light QDs, and the QY and emission wavelength of CdSe QDs can be increased with prolonging reaction time. The sample reacts for 2 (QY 30 %), 4 (QY 32 %) and 60 min (QY 8 %) are choosing to mixes with transparent acrylic-based UV curable resin for WLED fabrication. The Commission International d'Eclairage (CIE) chromaticity, color rendering index (CRI), and luminous efficacy for magic, mix, and normal size CdSe are (0.49, 0.44), 81, 1.5 lm/W, (0.35, 0.30), 86, 1.9 lm/W, and (0.39, 0.25), 40, 0.3 lm/W, respectively.

Maternal nutritional plane and selenium supply during gestation impact visceral organ mass and intestinal growth and vascularity of neonatal lamb offspring.

PubMed

Meyer, A M; Neville, T L; Reed, J J; Taylor, J B; Reynolds, L P; Redmer, D A; Hammer, C J; Vonnahme, K A; Caton, J S

2013-06-01

To investigate effects of nutritional plane and Se supply during gestation on neonatal offspring visceral organ mass and intestinal growth and vascularity, 84 nulliparous Rambouillet ewes (age = 240 ± 17 d, BW = 52.1 ± 6.2 kg) were allocated to a 2 × 3 factorial design. Ewes were fed 1 of 2 Se diets [adequate Se (ASe, 11.5 µg/kg BW) or high Se (HSe, 77.0 µg/kg BW)], initiated at breeding, and 1 of 3 nutritional planes [60% (restricted; RES), 100% (control; CON), or 140% (high; HIH) of NRC requirements], initiated at d 40 of gestation. Ewes were fed individually and remained on treatments through parturition. All lambs were removed from their dams at birth and fed milk replacer. At 20.6 ± 0.9 d of age, lambs were necropsied, visceral organs dissected, and jejunal samples collected. Lambs born to ewes fed CON and HIH had greater (P < 0.05) BW, gastrointestinal tract, stomach complex, and liver masses at necropsy than RES. Large intestinal and pancreatic masses, as well as stomach complex, large intestinal, and liver proportional masses, demonstrated (P ≤ 0.08) a nutritional plane × Se supply interaction. Proportional pancreatic mass was greater (P = 0.03) for lambs born to RES ewes than HIH. Although small intestinal mass was not affected (P ≥ 0.18) by gestational treatments, lambs born to HIH-fed ewes had greater (P ≤ 0.09) jejunal DNA concentration than RES and CON, and greater (P = 0.01) total DNA than RES. Nutritional plane and Se supply interacted to affect (P ≤ 0.003) jejunal percent proliferation and total proliferating small intestinal cells, although jejunal crypt depth and villus length were not affected by gestational treatment (P ≥ 0.17). Jejunal glucagon-like peptide-2 mRNA expression was greater (P ≤ 0.07) in lambs born to ewes fed RES compared with CON and HIH. Jejunal capillary size was affected (P = 0.09) by the interaction of nutritional plane × Se supply. Lambs from CON ewes had greater (P ≤ 0.04) jejunal capillary surface density than RES. Nutritional plane and Se supply interacted to affect (P = 0.07) jejunal soluble guanylate cyclase mRNA expression in a manner opposite of capillary size. In conclusion, neonatal lamb visceral organ mass was affected by gestational nutrition, even when lambs had ad libitum intake and similar management postnatally. Despite similar small intestinal mass at 20 d of age, jejunal growth, vascularity, and gene expression were altered by maternal nutrition during gestation.

Advancing Sustainable Bioenergy; Evolving Stakeholder Interests and the Relevance of Research

EPA Science Inventory

Sustainable bioenergy production depends on the resolution of both scientific and nontechnical barriers to its development. We focus on the need to recognize and manage stakeholder diversity as an example of the latter. As a complex issue domain, bioenergy involves a disparate se...

Phylogeny and taxonomic revision of Thelonectria discophora (Ascomycota, Hypocreales, Nectriaceae) species complex

USDA-ARS?s Scientific Manuscript database

Thelonectria discophora (Thelonectria, Nectriaceae, Hypocreales) is a conspicuous group of saprobic fungi on decaying plant material, characterized by red perithecia each with a broad mammiform (nipple-like) apex. The anamorphic state is characterized by a cylindrocarpon-like morphology, with 3–5 se...

Effects of dietary selenium supply and timing of nutrient restriction during gestation on maternal growth and body composition of pregnant adolescent ewes.

PubMed

Carlson, D B; Reed, J J; Borowicz, P P; Taylor, J B; Reynolds, L P; Neville, T L; Redmer, D A; Vonnahme, K A; Caton, J S

2009-02-01

The objectives were to examine effects of dietary Se supplementation and nutrient restriction during defined periods of gestation on maternal adaptations to pregnancy in primigravid sheep. Sixty-four pregnant Western Whiteface ewe lambs were assigned to treatments in a 2 x 4 factorial design. Treatments were dietary Se [adequate Se (ASe; 3.05 microg/kg of BW) vs. high Se (HSe; 70.4 microg/kg of BW)] fed as Se-enriched yeast, and plane of nutrition [control (C; 100% of NRC requirements) vs. restricted (R; 60% of NRC requirements]. Selenium treatments were fed throughout gestation. Plane of nutrition treatments were applied during mid (d 50 to 90) and late gestation (d 90 to 130), which resulted in 4 distinct plane of nutrition treatments [treatment: CC (control from d 50 to 130), RC (restricted from d 50 to 90, and control d 90 to 130), CR (control from d 50 to 90, and restricted from d 90 to 130), and RR (restricted from d 50 to 130)]. All of the pregnant ewes were necropsied on d 132 +/- 0.9 of gestation (length of gestation approximately 145 d). Nutrient restriction treatments decreased ewe ADG and G:F, as a result, RC and CR ewes had similar BW and maternal BW (MBW) at necropsy, whereas RR ewes were lighter than RC and CR ewes. From d 90 to 130, the HSe-CC ewes had greater ADG (Se x nutrition; P = 0.05) than did ASe-CC ewes, whereas ADG and G:F (Se x nutrition; P = 0.08) were less for HSe-RR ewes compared with ASe-RR ewes. The CR and RR treatments decreased total gravid uterus weight (P = 0.01) as well as fetal weight (P = 0.02) compared with RC and CC. High Se decreased total (g; P = 0.09) and relative heart mass (g/kg of MBW; P = 0.10), but increased total and relative mass of liver (P < or = 0.05) and perirenal fat (P < or = 0.06) compared with ASe. Total stomach complex mass was decreased (P < 0.01) by all the nutrient restriction treatments, but was reduced to a greater extent in CR and RR compared with RC. Total small intestine mass was similar between RC and CC ewes, but was markedly reduced (P < 0.01) in CR and RR ewes. The mass of the stomach complex and the small and large intestine relative to MBW was greater (P = 0.01) for RC than for CR ewes. Increased Se decreased jejunal DNA concentration (P = 0.07), total jejunal cell number (P = 0.03), and total proliferating jejunal cell number (P = 0.05) compared with ASe. These data indicate that increased dietary Se affected whole-body and organ growth of pregnant ewes, but the results differed depending on the plane of nutrition. In addition, the timing and duration of nutrient restriction relative to stage of pregnancy affected visceral organ mass in a markedly different fashion.

Osmium Atoms and Os2 Molecules Move Faster on Selenium-Doped Compared to Sulfur-Doped Boronic Graphenic Surfaces

PubMed Central

2015-01-01

We deposited Os atoms on S- and Se-doped boronic graphenic surfaces by electron bombardment of micelles containing 16e complexes [Os(p-cymene)(1,2-dicarba-closo-dodecarborane-1,2-diselenate/dithiolate)] encapsulated in a triblock copolymer. The surfaces were characterized by energy-dispersive X-ray (EDX) analysis and electron energy loss spectroscopy of energy filtered TEM (EFTEM). Os atoms moved ca. 26× faster on the B/Se surface compared to the B/S surface (233 ± 34 pm·s–1versus 8.9 ± 1.9 pm·s–1). Os atoms formed dimers with an average Os–Os distance of 0.284 ± 0.077 nm on the B/Se surface and 0.243 ± 0.059 nm on B/S, close to that in metallic Os. The Os2 molecules moved 0.83× and 0.65× more slowly than single Os atoms on B/S and B/Se surfaces, respectively, and again markedly faster (ca. 20×) on the B/Se surface (151 ± 45 pm·s–1 versus 7.4 ± 2.8 pm·s–1). Os atom motion did not follow Brownian motion and appears to involve anchoring sites, probably S and Se atoms. The ability to control the atomic motion of metal atoms and molecules on surfaces has potential for exploitation in nanodevices of the future. PMID:26525180

Simultaneous speciation and preconcentration of ultra traces of inorganic tellurium and selenium in environmental samples by hollow fiber liquid phase microextraction prior to electrothermal atomic absorption spectroscopy determination.

PubMed

Ghasemi, Ensieh; Najafi, Nahid Mashkouri; Raofie, Farhad; Ghassempour, Alireza

2010-09-15

A simple and effective speciation and preconcentration method based on hollow fiber liquid phase microextraction (HF-LPME) was developed for simultaneous separation of trace inorganic tellurium and selenium in environmental samples prior to electrothermal atomic absorption spectroscopy (ETAAS) determination. The method involves the selective extraction of the Te (IV) and Se (IV) species by HF-LPME with the use of ammonium pyrrolidinecarbodithioate (APDC) as the chelating agent. The complex compounds were extracted into 10 microL of toluene and the solutions were injected into a graphite furnace for the determination of Te (IV) and Se (IV). To determine the total tellurium and selenium in the samples, first Te (VI) and Se (VI) were reduced to Te (IV) and Se (IV), and then the microextraction method was performed. The experimental parameters of HF-LPME were optimized using a central composite design after a 2(n-1) fractional factorial experimental design. Under optimum conditions, enrichment factors of up to 520 and 480 were achieved for Te (IV) and Se (IV), respectively. The detection limits were 4 ng L(-1) with 3.5% RSD (n=5, c=2.0 microg L(-1)) for Te (IV) and 5 ng L(-1) with 3.1% RSD for Se (IV). The applicability of the developed technique was evaluated by application to spiked, environmental water and soil samples. Copyright 2010 Elsevier B.V. All rights reserved.

Weaned beef calves fed selenium-biofortified alfalfa hay have an enriched nasal microbiota compared with healthy controls.

PubMed

Hall, Jean A; Isaiah, Anitha; Estill, Charles T; Pirelli, Gene J; Suchodolski, Jan S

2017-01-01

Selenium (Se) is an essential trace mineral important for immune function and overall health of cattle. The nasopharyngeal microbiota in cattle plays an important role in overall respiratory health, especially when stresses associated with weaning, transport, and adaptation to a feedlot affect the normal respiratory defenses. Recent evidence suggests that cattle diagnosed with bovine respiratory disease complex have significantly less bacterial diversity. The objective of this study was to determine whether feeding weaned beef calves Se-enriched alfalfa (Medicago sativa) hay for 9 weeks in a preconditioning program prior to entering the feedlot alters nasal microbiota. Recently weaned beef calves (n = 45) were blocked by sex and body weight, randomly assigned to 3 treatment groups with 3 pens of 5 calves per treatment group, and fed an alfalfa hay based diet for 9 weeks. Alfalfa hay was harvested from fields fertilized with sodium selenate at a rate of 0, 45.0 or 89.9 g Se/ha. Blood samples were collected biweekly and analyzed for whole-blood Se concentrations. Nasal swabs were collected during week 9 from one or two calves from each pen (total n = 16). Calculated Se intake from dietary sources was 3.0, 15.6, and 32.2 mg Se/head/day for calves consuming alfalfa hay with Se concentrations of 0.34 to 2.42 and 5.17 mg Se/kg dry matter, respectively. Whole-blood Se concentrations after 8 weeks of feeding Se-fertilized alfalfa hay were dependent upon Se-application rates (0, 45.0, or 89.9 g Se/ha) and were 155, 345, and 504 ng/mL (PLinear < 0.0001). Microbial DNA was extracted from nasal swabs and amplified and sequenced. Alpha rarefaction curves comparing the species richness (observed OTUs) and overall diversity (Chao1, Observed OTU, and Shannon index) between calves fed selenium-biofortified alfalfa hay compared with control calves showed that Se-supplementation tended to be associated with an enriched nasal microbiota. ANOSIM of unweighted UniFrac distances showed that calves fed high Se-biofortified alfalfa hay clustered separately when compared with control calves in the PCoA plot (R = 0.216, P = 0.04). The bacterial orders Lactobacillales and Flavobacteriales were increased in healthy control calves compared with Clostridiales and Bacteroidales being increased in calves fed Se-biofortified alfalfa hay. Although there were strong trends, no significant differences were noted for any of the bacterial taxa. Based upon these findings, we suggest that weaned beef calves fed Se-biofortified hay tend to have an enriched nasal microbiota. Feeding Se-biofortified alfalfa hay to weaned beef calves prior to entering the feedlot is a strategy for increasing nasopharyngeal microbial diversity.

Electrostatic contribution to the binding stability of protein-protein complexes.

PubMed

Dong, Feng; Zhou, Huan-Xiang

2006-10-01

To investigate roles of electrostatic interactions in protein binding stability, electrostatic calculations were carried out on a set of 64 mutations over six protein-protein complexes. These mutations alter polar interactions across the interface and were selected for putative dominance of electrostatic contributions to the binding stability. Three protocols of implementing the Poisson-Boltzmann model were tested. In vdW4 the dielectric boundary between the protein low dielectric and the solvent high dielectric is defined as the protein van der Waals surface and the protein dielectric constant is set to 4. In SE4 and SE20, the dielectric boundary is defined as the surface of the protein interior inaccessible to a 1.4-A solvent probe, and the protein dielectric constant is set to 4 and 20, respectively. In line with earlier studies on the barnase-barstar complex, the vdW4 results on the large set of mutations showed the closest agreement with experimental data. The agreement between vdW4 and experiment supports the contention of dominant electrostatic contributions for the mutations, but their differences also suggest van der Waals and hydrophobic contributions. The results presented here will serve as a guide for future refinement in electrostatic calculation and inclusion of nonelectrostatic effects. Proteins 2006. (c) 2006 Wiley-Liss, Inc.

The optical characterization of organometallic complex thin films by spectroscopic ellipsometry and photovoltaic diode application

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

Özaydın, C.; Güllü, Ö., E-mail: omergullu@gmail.com; Pakma, O.

2016-05-15

Highlights: • Optical properties and thickness of the A novel organometallic complex (OMC) film were investigated by spectroscopic ellipsometry (SE). • Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated • This paper presents the I–V analysis of Au/OMC/n-Si MIS diode. • Current–voltage and photovoltaic properties of the diode were investigated. - Abstract: In this work, organometallic complex (OMC) films have been deposited onto glass or silicon substrates by spin coating technique and their photovoltaic application potential has been investigated. Optical properties and thickness of the film have been investigated by spectroscopic ellipsometry (SE). Also, transmittance spectrum has been taken by UV/vismore » spectrophotometer. The optical method has been used to determine the band gap value of the films. Also, Au/OMC/n-Si metal/interlayer/semiconductor (MIS) diode has been fabricated. Current–voltage and photovoltaic properties of the structure were investigated. The ideality factor (n) and barrier height (Φ{sub b}) values of the diode were found to be 2.89 and 0.79 eV, respectively. The device shows photovoltaic behavior with a maximum open-circuit voltage of 396 mV and a short circuit current of 33.8 μA under 300 W light.« less

Dynamic NMR Study of Model CMP Slurry Containing Silica Particles as Abrasives

NASA Astrophysics Data System (ADS)

Odeh, F.; Al-Bawab, A.; Li, Y.

2018-02-01

Chemical mechanical planarization (CMP) should provide a good surface planarity with minimal surface defectivity. Since CMP slurries are multi-component systems, it is very important to understand the various processes and interactions taking place in such slurries. Several techniques have been employed for such task, however, most of them lack the molecular recognition to investigate molecular interactions without adding probes which in turn increase complexity and might alter the microenvironment of the slurry. Nuclear magnetic resonance (NMR) is a powerful technique that can be employed in such study. The longitudinal relaxation times (T1) of the different components of CMP slurries were measured using Spin Echo-NMR (SE-NMR) at a constant temperature. The fact that NMR is non-invasive and gives information on the molecular level gives more advantage to the technique. The model CMP slurry was prepared in D2O to enable monitoring of T1 for the various components' protons. SE-NMR provide a very powerful tool to study the various interactions and adsorption processes that take place in a model CMP silica based slurry which contains BTA and/or glycine and/or Cu+2 ions. It was found that BTA is very competitive towards complexation with Cu+2 ions and BTA-Cu complex adsorbs on silica surface.

Hot spots based gold nanostar@SiO2@CdSe/ZnS quantum dots complex with strong fluorescence enhancement

NASA Astrophysics Data System (ADS)

Shan, Feng; Su, Dan; Li, Wei; Hu, Wei; Zhang, Tong

2018-02-01

In this paper, a novel gold nanostar (NS)@SiO2@CdSe/ZnS quantum dots (QDs) complex with plasmon-enhanced fluorescence synthesized using a step-by-step surface linkage method was presented. The gold NS was synthesized by the seed growth method. The synthesized gold NS with the apexes structure has a hot-spot effect due to the strong electric field distributed at its sharp apexes, which leads to a plasmon resonance enhancement. Because the distance between QDs and metal nanostructures can be precisely controlled by this method, the relationship between enhancement and distance was revealed. The thickness of SiO2 shell was also optimized and the optimum distance of about 21 nm was obtained. The highest fluorescence enhancement of 4.8-fold accompanied by a minimum fluorescence lifetime of 2.3 ns were achieved. This strong enhancement comes from the hot spots distributed at the sharp tip of our constructed nanostructure. Through the finite element method, we calculated the field distribution on the surface of NS and found that gold NS with the sharpest apexes exhibited the highest field enhancement, which matches well with our experiment result. This complex shows tremendous potential applications for liquid-dependent biometric imaging systems.

Synthesis, vibrational and quantum chemical investigations of hydrogen bonded complex betaine dihydrogen selenite

NASA Astrophysics Data System (ADS)

Arjunan, V.; Marchewka, Mariusz K.; Kalaivani, M.

2012-10-01

The molecular complex of betaine with selenious acid namely, betaine dihydrogen selenite (C5H13NO5Se, BDHSe) was synthesised by the reaction of betaine and SeO2 in a 1:1:1 solution of isopropanol, methanol and water. Crystals were grown from this solution by cooling to 253 K for few days. The complex was formed without accompanying proton transfer from selenious acid molecule to betaine. The complete vibrational assignments and analysis of BDHSe have been performed by FTIR, FT-Raman and far-infrared spectral studies. More support on the experimental findings was added from the quantum chemical studies performed with DFT (B3LYP) method using 6-311++G∗∗, 6-31G∗∗, cc-pVDZ and 3-21G basis sets. The structural parameters, energies, thermodynamic parameters and the NBO charges of BDHSe were determined by the DFT method. The 1H and 13C isotropic chemical shifts (δ ppm) of BDHSe with respect to TMS were also calculated using the gauge independent atomic orbital (GIAO) method and compared with the experimental data. SHG experiment was carried out using Kurtz-Perry powder technique. The efficiency of second harmonic generation for BDHSe was estimated relatively to KDP: deff = 0.97 deff (KDP).

Lessons from isolable nickel(I) precursor complexes for small molecule activation.

PubMed

Yao, Shenglai; Driess, Matthias

2012-02-21

Small-molecule activation by transition metals is essential to numerous organic transformations, both biological and industrial. Creating useful metal-mediated activation systems often depends on stabilizing the metal with uncommon low oxidation states and low coordination numbers. This provides a redox-active metal center with vacant coordination sites well suited for interacting with small molecules. Monovalent nickel species, with their d(9) electronic configuration, are moderately strong one-electron reducing agents that are synthetically attractive if they can be isolated. They represent suitable reagents for closing the knowledge gap in nickel-mediated activation of small molecules. Recently, the first strikingly stable dinuclear β-diketiminate nickel(I) precursor complexes were synthesized, proving to be suitable promoters for small-molecule binding and activation. They have led to many unprecedented nickel complexes bearing activated small molecules in different reduction stages. In this Account, we describe selected achievements in the activation of nitrous oxide (N(2)O), O(2), the heavier chalcogens (S, Se, and Te), and white phosphorus (P(4)) through this β-diketiminatonickel(I) precursor species. We emphasize the reductive activation of O(2), owing to its promise in oxidation processes. The one-electron-reduced O(2) activation product, that is, the corresponding β-diketiminato-supported Ni-O(2) complex, is a genuine superoxonickel(II) complex, representing an important intermediate in the early stages of O(2) activation. It selectively acts as an oxygen-atom transfer agent, hydrogen-atom scavenger, or both towards exogenous organic substrates to yield oxidation products. The one-electron reduction of the superoxonickel(II) moiety was examined by using elemental potassium, β-diketiminatozinc(II) chloride, and β-diketiminatoiron(I) complexes, affording the first heterobimetallic complexes featuring a [NiO(2)M] subunit (M is K, Zn, or Fe). Through density functional theory (DFT) calculations, the geometric and electronic structures of these complexes were established and their distinctive reactivity, including the unprecedented monooxygenase-like activity of a bis(μ-oxo)nickel-iron complex, was studied. The studies have further led to other heterobimetallic complexes containing a [NiO(2)M] core, which are useful for understanding the influence of the heterometal on structure-reactivity relationships. The activation of N(2)O led directly to the hydrogen-atom abstraction product bis(μ-hydroxo)nickel(II) species and prevented isolation of any intermediate. In contrast, the activation of elemental S, Se, and Te with the same nickel(I) reagent furnished activation products with superchalcogenido E(2)(-) (E is S, Se, or Te) and dichalcogenido E(2)(2-) ligand in different activation stages. The isolable supersulfidonickel(II) subunit may serve as a versatile building block for the synthesis of heterobimetallic disulfidonickel(II) complexes with a [NiS(2)M] core. In the case of white phosphorus, the P(4) molecule has been coordinated to the nickel(I) center of dinuclear β-diketiminatonickel(I) precursor complexes; however, the whole P(4) subunit is a weaker electron acceptor than the dichalcogen ligands E(2), thus remaining unreduced. This P(4) binding mode is rare and could open new doors for subsequent functionalization of P(4). Our advances in understanding how these small molecules are bound to a nickel(I) center and are activated for further transformation offer promise for designing new catalysts. These nickel-containing complexes offer exceptional potential for nickel-mediated transformations of organic molecules and as model compounds for mimicking active sites of nickel-containing metalloenzymes.

Ruthenium chalcogenonitrosyl and bridged nitrido complexes containing chelating sulfur and oxygen ligands.

PubMed

Ng, Ho-Yuen; Cheung, Wai-Man; Kwan Huang, Enrique; Wong, Kang-Long; Sung, Herman H-Y; Williams, Ian D; Leung, Wa-Hung

2015-11-14

Ruthenium thio- and seleno-nitrosyl complexes containing chelating sulfur and oxygen ligands have been synthesised and their de-chalcogenation reactions have been studied. The reaction of mer-[Ru(N)Cl3(AsPh3)2] with elemental sulfur and selenium in tetrahydrofuran at reflux afforded the chalcogenonitrosyl complexes mer-[Ru(NX)Cl3(AsPh3)2] [X = S (1), Se (2)]. Treatment of 1 with KN(R2PS)2 afforded trans-[Ru(NS)Cl{N(R2PS)2}2] [R = Ph (3), Pr(i) (4), Bu(t) (5)]. Alternatively, the thionitrosyl complex 5 was obtained from [Bu(n)4N][Ru(N)Cl4] and KN(Bu(t)2PS)2, presumably via sulfur atom transfer from [N(Bu(t)2PS)2](-) to the nitride. Reactions of 1 and 2 with NaLOEt (LOEt(-) = [Co(η(5)-C5H5){P(O)(LOEt)2}3](-)) gave [Ru(NX)LOEtCl2] (X = S (8), Se (9)). Treatment of [Bu(n)4N][Ru(N)Cl4] with KN(R2PS)2 produced Ru(IV)-Ru(IV)μ-nitrido complexes [Ru2(μ-N){N(R2PS)2}4Cl] [R = Ph (6), Pr(i) (7)]. Reactions of 3 and 9 with PPh3 afforded 6 and [Ru(NPPh3)LOEtCl2], respectively. The desulfurisation of 5 with [Ni(cod)2] (cod = 1,5-cyclooctadiene) gave the mixed valance Ru(III)-Ru(IV)μ-nitrido complex [Ru2(μ-N){N(Bu(t)2PS)2}4] (10) that was oxidised by [Cp2Fe](PF6) to give the Ru(IV)-Ru(IV) complex [Ru2(μ-N){N(Bu(t)2PS)2}4](PF6) ([10]PF6). The crystal structures of 1, 2, 3, 7, 9 and 10 have been determined.

Improving in vitro mineral nutrition for diverse germplasm

USDA-ARS?s Scientific Manuscript database

Complex chemical interactions in growth media and variation in genotype response make it very difficult to optimize mineral nutrition of in vitro plants. Germplasm collections contain diverse species and cultivars that often do not grow well on standard tissue culture media or do not grow at all. Se...

Laurel wilt: An unusual and destructive disease of American members of the Lauraceae

USDA-ARS?s Scientific Manuscript database

Laurel wilt kills American members of the Lauraceae plant family (Laurales, Magnoliid complex). These include significant components of Coastal Plain forest communities in the SE USA, most importantly redbay (Persea borbonia), as well as the commercial crop avocado (P. americana). Laurel wilt is cau...

Geochemical constraints on the link between volcanism and plutonism at the Yunshan caldera complex, SE China

NASA Astrophysics Data System (ADS)

Yan, Lili; He, Zhenyu; Beier, Christoph; Klemd, Reiner

2018-01-01

The Yunshan caldera complex is part of a larger scale, ca. 2000-km-long volcanic-plutonic complex belt in the coastal region of SE China. The volcanic rocks in the caldera complex are characterized by high-silica peraluminous and peralkaline rhyolites associated with an intracaldera porphyritic quartz monzonite pluton. In this study, we present zircon U-Pb, Hf and stable O isotopes along with geochemical data of both volcanic and plutonic rocks to evaluate the potential petrogenetic link between volcanism and plutonism in the Yunshan caldera complex. SHRIMP zircon U-Pb geochronology of both volcanic and plutonic rocks yields almost identical ages ranging from 95.6 to 93.1 Ma. The peraluminous and peralkaline rhyolites show negative anomalies of Sr, P, Ti and Ba and to a lesser extent negative Nb and Ta anomalies, along with positive Rb anomalies and `seagull-like' rare earth element (REE) patterns with negative Eu anomalies and low (La/Yb)N ratios. The intracaldera porphyritic quartz monzonite displays minor negative Rb, Nb, Ta, Sr, P and Ti anomalies and a positive Ba anomaly with REE patterns characterized by relatively high (La/Yb)N ratios and lack significant Eu anomalies. The peraluminous and peralkaline rhyolites and the porphyritic quartz monzonite exhibit consistent ɛ Nd( t) of - 3.7 to - 2.2 and display zircon ɛ Hf( t) values of - 2.1 to 3.7. They further have similar, mantle-like, zircon oxygen isotopic compositions (δ18OVSMOW mainly = 4.63 to 5.76‰). We interpret these observations to be in agreement with a crystal mush model in which the parental magma of the volcanic and plutonic rocks of the Yunshan caldera complex was likely produced by interaction of asthenosphere melts with subduction-influenced enriched mantle wedge. The peralkaline rhyolites are interpreted to represent the most differentiated magma that has subsequently experienced significant fluid-melt interactions, whereas the porphyritic quartz monzonite may be representative of the residual crystal mush. The Yunshan rhyolites typically match the geochemical characteristics of `hot-dry-reduced' rhyolites indicating that, during the late Cretaceous, the tectonic setting of SE China changed from a compressional environment to an extensional environment, i.e., from an arc into a back-arc setting. Our results imply that volcanic and plutonic rocks in caldera systems may provide unique constraints on the evolution of the magmatic system in which both the erupting melt and the residual crystalline material are being preserved.

Base free N-alkylation of anilines with ArCH2OH and transfer hydrogenation of aldehydes/ketones catalyzed by the complexes of η5-Cp*Ir(iii) with chalcogenated Schiff bases of anthracene-9-carbaldehyde.

PubMed

Dubey, Pooja; Gupta, Sonu; Singh, Ajai K

2018-03-12

The condensation of anthracene-9-carbaldehyde with 2-(phenylthio/seleno)ethylamine results in Schiff bases [PhS(CH 2 ) 2 C[double bond, length as m-dash]N-9-C 14 H 9 ](L1) and [PhSe(CH 2 ) 2 C[double bond, length as m-dash]N-9-C 14 H 9 ] (L2). On their reaction with [(η 5 -Cp*)IrCl(μ-Cl)] 2 and CH 3 COONa at 50 °C followed by treatment with NH 4 PF 6 , iridacycles, [(η 5 -Cp*)Ir(L-H)][PF 6 ] (1: L = L1; 2: L = L2), result. The same reaction in the absence of CH 3 COONa gives complexes [(η 5 -Cp*)Ir(L)Cl][PF 6 ] (3-4) in which L = L1(3)/L2(4) ligates in a bidentate mode. The ligands and complexes were authenticated with HR-MS and NMR spectra [ 1 H, 13 C{ 1 H} and 77 Se{ 1 H} (in the case of L2 and its complexes only)]. Single crystal structures of L2 and half sandwich complexes 1-4 were established with X-ray crystallography. Three coordination sites of Ir in each complex are covered with η 5 -Cp* and on the remaining three, donor atoms present are: N, S/Se and C - /Cl - , resulting in a piano-stool structure. The moisture and air insensitive 1-4 act as efficient catalysts under mild conditions for base free N-alkylation of amines with benzyl alcohols and transfer hydrogenation (TH) of aldehydes/ketones. The optimum loading of 1-4 as a catalyst is 0.1-0.5 mol% for both the activations. The best reaction temperature is 80 °C for transfer hydrogenation and 100 °C for N-alkylation. The mercury poisoning test supports a homogeneous pathway for both the reactions catalyzed by 1-4. The two catalytic processes are most efficient with 3 followed by 4 > 1 > 2. The mechanism proposed on the basis of HR-MS of the reaction mixtures of the two catalytic processes taken after 1-2 h involves the formation of an alkoxy and hydrido species. The real catalytic species proposed in the case of iridacycles results due to the loss of the Cp* ring.

SE-FIT

NASA Technical Reports Server (NTRS)

Chen, Yongkang; Weislogel, Mark; Schaeffer, Ben; Semerjian, Ben; Yang, Lihong; Zimmerli, Gregory

2012-01-01

The mathematical theory of capillary surfaces has developed steadily over the centuries, but it was not until the last few decades that new technologies have put a more urgent demand on a substantially more qualitative and quantitative understanding of phenomena relating to capillarity in general. So far, the new theory development successfully predicts the behavior of capillary surfaces for special cases. However, an efficient quantitative mathematical prediction of capillary phenomena related to the shape and stability of geometrically complex equilibrium capillary surfaces remains a significant challenge. As one of many numerical tools, the open-source Surface Evolver (SE) algorithm has played an important role over the last two decades. The current effort was undertaken to provide a front-end to enhance the accessibility of SE for the purposes of design and analysis. Like SE, the new code is open-source and will remain under development for the foreseeable future. The ultimate goal of the current Surface Evolver Fluid Interface Tool (SEFIT) development is to build a fully integrated front-end with a set of graphical user interface (GUI) elements. Such a front-end enables the access to functionalities that are developed along with the GUIs to deal with pre-processing, convergence computation operation, and post-processing. In other words, SE-FIT is not just a GUI front-end, but an integrated environment that can perform sophisticated computational tasks, e.g. importing industry standard file formats and employing parameter sweep functions, which are both lacking in SE, and require minimal interaction by the user. These functions are created using a mixture of Visual Basic and the SE script language. These form the foundation for a high-performance front-end that substantially simplifies use without sacrificing the proven capabilities of SE. The real power of SE-FIT lies in its automated pre-processing, pre-defined geometries, convergence computation operation, computational diagnostic tools, and crash-handling capabilities to sustain extensive computations. SE-FIT performance is enabled by its so-called file-layer mechanism. During the early stages of SE-FIT development, it became necessary to modify the original SE code to enable capabilities required for an enhanced and synchronized communication. To this end, a file-layer was created that serves as a command buffer to ensure a continuous and sequential execution of commands sent from the front-end to SE. It also establishes a proper means for handling crashes. The file layer logs input commands and SE output; it also supports user interruption requests, back and forward operation (i.e. undo and redo), and others. It especially enables the batch mode computation of a series of equilibrium surfaces and the searching of critical parameter values in studying the stability of capillary surfaces. In this way, the modified SE significantly extends the capabilities of the original SE.

Electronic and chemical structure of an organic light emitter embedded in an inorganic wide-bandgap semiconductor: Photoelectron spectroscopy of layered and composite structures of Ir(BPA) and ZnSe

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

Dimamay, Mariel; Laboratoire de Chimie des Polymères Organiques, CNRS, Université de Bordeaux, UMR 5629-16 Avenue Pey-Berland, 33607 Pessac; Mayer, Thomas

Luminescent organic phases embedded in conductive inorganic matrices are proposed for hybrid organic-inorganic light-emitting diodes. In this configuration, the organic dye acts as the radiative recombination site for charge carriers injected into the inorganic matrix. Our investigation is aimed at finding a material combination where the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) of the organic dye are situated in between the valence and conduction bands of the inorganic matrix in order to promote electron and hole transfer from the matrix to the dye. Bilayer and composite thin films of zinc selenide (ZnSe) and a redmore » iridium complex (Ir(BPA)) organic light emitter were prepared in situ via UHV thermal evaporation technique. The electronic and atomic structures were studied applying X-ray and ultraviolet photoelectron spectroscopies. The measured energy band alignments for the ZnSe/Ir(BPA) bilayer and ZnSe+Ir(BPA) composite reveal that the HOMO and LUMO of the organic dye are positioned in the ZnSe bandgap. For the initial steps of ZnSe deposition on a dye film to form Ir(BPA)/ZnSe bilayers, zinc atoms intercalate into the dye film leaving behind an excess of selenium at the interface that partly reacts with dye molecules. Photoelectron spectroscopy of the composites shows the same species suggesting a similar mechanism. This mechanism leads to composite films with increased content of amorphous phases in the inorganic matrix, thereby affecting its conductivity, as well as to the presence of nonradiative recombination sites provided by the intercalated Zn atoms.« less

Review of serious events in cases of (suspected) child abuse and/or neglect: A RoSE by any other name?

PubMed

Raman, Shanti; Maiese, Michelle; Vasquez, Viviana; Gordon, Paola; Jones, Jennifer M

2017-08-01

Child abuse and neglect (CAN) cases presenting to health-services may be complex; when things go seriously wrong such as a child death or near miss, cases are reviewed and health-services and professionals subject to intense scrutiny. While there are a variety of mechanisms to review critical incidents in health-services no formal process for the review of cases where child protection is the primary concern exists in Australia. We aimed to develop a systematic process to review serious events in cases of suspected CAN across two health districts in Sydney, so that shared learnings could fuel system change. Drawing upon mapping, case review, literature findings and using quality improvement methodology, we developed a model named Review of Serious Events (RoSE), in suspected cases of CAN. The RoSE model has the key features of: being child focused; seeking to examine care over a period of time; using child protection staff as lead reviewers; involving health professionals/services in the review who have been involved with the child; and actioning systems change at local levels. The RoSE model was trialled through 2014-2015. Eight cases were reviewed using RoSE; cases were similar to those reviewed prior to having a model. Participant feedback from RoSE group processes was overwhelmingly positive; outputs were transparent and accessible to key stakeholders, there was mixed progress with implementation. The RoSE model is a serious case review process that is strongly child-focused, is both investigative and reflective, led by child protection experts; and can be adapted to other settings and systems. Crown Copyright © 2017. Published by Elsevier Ltd. All rights reserved.

The role of counter ions in nano-hematite synthesis: Implications for surface area and selenium adsorption capacity.

PubMed

Lounsbury, Amanda W; Yamani, Jamila S; Johnston, Chad P; Larese-Casanova, Philip; Zimmerman, Julie B

2016-06-05

Nano metal oxides are of interest for aqueous selenium (Se) remediation, and as such, nano-hematite (nα-Fe2O3) was examined for use as a Se adsorbent. The effect of surface area on adsorption was also studied. nα-Fe2O3 particles were synthesized from Fe(NO3)3 and FeCl3 via forced hydrolysis. The resulting particles have similar sizes, morphologies, aggregate size, pore size, and PZC. The nα-Fe2O3 from FeCl3 (nα-Fe2O3-C) differs from the nα-Fe2O3 from Fe(NO3)3 (nα-Fe2O3-N) with a ∼25±2m(2)/g greater surface area. Selenite Se(IV) adsorption capacity on nα-Fe2O3 has a qmax ∼17mg/g for the freeze-dried and re-suspended nα-Fe2O3. The Δqmax for nα-Fe2O3 from Fe(NO3)3 and FeCl3 that remained in suspension was 4.6mg/g. For selenate Se(VI), the freeze-dried and re-suspended particles realize a Δqmax= 1.5mg/g for nα-Fe2O3 from Fe(NO3)3 and FeCl3. The nα-Fe2O3 from Fe(NO3)3 and FeCl3 that remained in suspension demonstrated Se(VI) Δqmax=5.4mg/g. In situ ATR-FTIR isotherm measurements completed for Se(VI) at a pH 6 suggest that Se(VI) forms primarily outer-sphere complexes with nα-Fe2O3 synthesized from both salts. Copyright © 2016 Elsevier B.V. All rights reserved.

Physicochemical formation conditions of silver sulfoselenides at the Rogovik deposit, Northeastern Russia

NASA Astrophysics Data System (ADS)

Zhuravkova, T. V.; Palyanova, G. A.; Kravtsova, R. G.

2015-07-01

The chemical compositions of acanthite, naumannite, and associated ore minerals have been studied from the samples of polychronous Au-Ag ores at the Rogovik deposit. The following admixtures have been detected: S in naumannite (0-2.9 wt %), Se in acanthite (0-7.45 wt %), argyrodite (~4.8 wt %), and galena (~3.1 wt %), and Fe in sphalerite (~1.2 wt %). The physicochemical parameters of ore formation have been reconstructed on the basis of mineralogical and geochemical data and thermodynamic calculations. Eh-pH (25°C, 1 bar), log fO2-pH, log fS2- T, log fSe2- T, and log fS2-log fSe2 (100-300°C, 1-300 bars) diagrams for the Ag-S-Se-H2O system with the stability fields of Ag sulfoselenides Ag2S1- x Se x of various composition (step x = 0.25, where 0 ≤ x ≤ 1) have been calculated for the first time. It has been established that Ag sulfoselenides of the naumannite series from polychronous ores of the Rogovik deposit precipitated below 70-133°C under reductive conditions (log fO2 =-65…-50) from near-neutral solutions containing elevated Se and relatively lowered S. It has been established that Ag sulfoselenides of acanthite series were formed later then naumannite but in the same range of log fO2 values at temperatures below 110-177°C from solutions with high S concentration and relatively lowered concentration of Se. The complex composition of the studied Au-Ag ores, whose characteristic feature is extremely variable mineralogy, is confirmed.

CdSe white quantum dots-based white light-emitting diodes with high color rendering index

NASA Astrophysics Data System (ADS)

Su, Yu-Sheng; Hsiao, Chih-Chun; Chung, Shu-Ru

2016-09-01

A white light emission CdSe quantum dots (QDs) can be prepared by chemical route under 180°C. An organic oleic acid (OA) is used to react with CdO to form Cd-OA complex. Hexadecylamine (HDA) and 1-Octadecene (ODE) were used as co-surfactants. By controlling the reaction time, a white light emission CdSe QDs can be obtained after reacts for 3 to 10 min. The luminescence spectra compose two obvious emission peaks and entire visible light ranges from 400 to 650 nm. Based on TEM measurement result, spherical morphologies with particle size 2.39+/-0.27 nm can be obtained. The quantum yields (QYs) of white CdSe QD are between 20 and 60 %, which depends on reaction time. A white CdSe QDs were mixed with UV cured gel (OPAS-226) with weight ratios 50.0 wt. %, and putted the mixture into reflective cup (3020, 13 mil) as convert type. The white LEDs have controllable CIE coordinates and correlated color temperature (CCT). The luminous efficacy of the device is less than 3 lm/W, but the color rendering index (CRI) for all devices are higher than 80. Since the luminous efficacy of hybrid devices has a direct dependence on the external QY of the UV-LED as well, the luminous efficacy can be improved by well dispersion of CdSe QDs in UV gel matrix and using optimized LED chips. Therefore, in this study, we provide a new and simple method to prepare high QY of white CdSe QDs and its have a potential to applicate in solid-state lighting.

Explorative search of distributed bio-data to answer complex biomedical questions

PubMed Central

2014-01-01

Background The huge amount of biomedical-molecular data increasingly produced is providing scientists with potentially valuable information. Yet, such data quantity makes difficult to find and extract those data that are most reliable and most related to the biomedical questions to be answered, which are increasingly complex and often involve many different biomedical-molecular aspects. Such questions can be addressed only by comprehensively searching and exploring different types of data, which frequently are ordered and provided by different data sources. Search Computing has been proposed for the management and integration of ranked results from heterogeneous search services. Here, we present its novel application to the explorative search of distributed biomedical-molecular data and the integration of the search results to answer complex biomedical questions. Results A set of available bioinformatics search services has been modelled and registered in the Search Computing framework, and a Bioinformatics Search Computing application (Bio-SeCo) using such services has been created and made publicly available at http://www.bioinformatics.deib.polimi.it/bio-seco/seco/. It offers an integrated environment which eases search, exploration and ranking-aware combination of heterogeneous data provided by the available registered services, and supplies global results that can support answering complex multi-topic biomedical questions. Conclusions By using Bio-SeCo, scientists can explore the very large and very heterogeneous biomedical-molecular data available. They can easily make different explorative search attempts, inspect obtained results, select the most appropriate, expand or refine them and move forward and backward in the construction of a global complex biomedical query on multiple distributed sources that could eventually find the most relevant results. Thus, it provides an extremely useful automated support for exploratory integrated bio search, which is fundamental for Life Science data driven knowledge discovery. PMID:24564278

Differential Changes with Age in Multiscale Entropy of Electromyography Signals from Leg Muscles during Treadmill Walking

PubMed Central

Kang, Hyun Gu; Dingwell, Jonathan B.

2016-01-01

Age-related gait changes may be due to the loss of complexity in the neuromuscular system. This theory is disputed due to inconsistent results from single-scale analyses. Also, behavioral adaptations may confound these changes. We examined whether EMG dynamics during gait is less complex in older adults over a range of timescales using the multiscale entropy method, and whether slower walking attenuates this effect. Surface EMG was measured from the left vastus lateralis (VL), biceps femoris (BF), gastrocnemius (GA), and tibialis anterior (TA) in 17 young and 18 older adults as they walked on a treadmill for 5 minutes at 0.8x-1.2x of preferred speed. Sample entropy (SE) and the complexity index (CI) of the EMG signals were calculated after successive coarse-graining to extract dynamics at timescales of 27 to 270 Hz, with m = 2 and r = 0.15 SD. SE and CI were lower across the timescales in older adults in VL and BF, but higher in GA (all p<0.001); these results held for VL and GA even after accounting for longer EMG burst durations in older adults. CI was higher during slower walking speed in VL and BF (p<0.001). Results were mostly similar for m = 3 and r = 0.01–0.35. Smaller r was more sensitive to age-related differences. The decrease in complexity with aging in the timescales studied was limited to proximal muscles, particularly VL. The increase in GA may be driven by other factors. Walking slower may reflect a behavioral adaptation that allows the nervous system to function with greater complexity. PMID:27570974

Photosensitivity of layered semiconductor propolis heterocontact

NASA Astrophysics Data System (ADS)

Drapak, Stepan I.; Orletskii, Volodymyr B.; Bahtinov, Anatolii P.; Kovalyuk, Zakhar D.; Fotiy, Vasyl D.

2003-03-01

Room temperature photosensitivity and its spectral distribution are investigated for a hetercontact between a layered semiconductor (p-InSe) and a biological entity (propolis). The obtained heterocontacts has a maximum photosensitivity >= 10^4 V/W. It is shown that the form of spectral sensitivity curve depends on the way of the heterocontact preparation. The long-wave edge of relative quantum efficiency varies from hν =1.2 eV (the energy gap for InSe at T=300 K) to 1.6 eV depending on a state of aggregation of propolis. The maximum photosensitivity in the long-wave spectral range takes place when the propolis layer is under illumination. The obtained peculiarities of the photoelectrical properties cannot be explained in the framework of the classical description of photosensitivity spectral description (the window effect) what follows from the optical absorption measurements for InSe and propolis in the range hν <= 1.2 eV. Impurity states in the energy gap of InSe and states at the heterocontact interface (a classical case of isotype p-p heterojunction) also do not give an appropriate explanation. To interpret the obtained results the complexity of the chemical composition of propolis, a product from honey bee, must be taken into account.

Computational identification of a new SelD-like family that may participate in sulfur metabolism in hyperthermophilic sulfur-reducing archaea.

PubMed

Li, Gao-Peng; Jiang, Liang; Ni, Jia-Zuan; Liu, Qiong; Zhang, Yan

2014-10-17

Selenium (Se) and sulfur (S) are closely related elements that exhibit similar chemical properties. Some genes related to S metabolism are also involved in Se utilization in many organisms. However, the evolutionary relationship between the two utilization traits is unclear. In this study, we conducted a comparative analysis of the selenophosphate synthetase (SelD) family, a key protein for all known Se utilization traits, in all sequenced archaea. Our search showed a very limited distribution of SelD and Se utilization in this kingdom. Interestingly, a SelD-like protein was detected in two orders of Crenarchaeota: Sulfolobales and Thermoproteales. Sequence and phylogenetic analyses revealed that SelD-like protein contains the same domain and conserved functional residues as those of SelD, and might be involved in S metabolism in these S-reducing organisms. Further genome-wide analysis of patterns of gene occurrence in different thermoproteales suggested that several genes, including SirA-like, Prx-like and adenylylsulfate reductase, were strongly related to SelD-like gene. Based on these findings, we proposed a simple model wherein SelD-like may play an important role in the biosynthesis of certain thiophosphate compound. Our data suggest novel genes involved in S metabolism in hyperthermophilic S-reducing archaea, and may provide a new window for understanding the complex relationship between Se and S metabolism in archaea.

ADSORPTION MECHANISMS AND TRANSPORT BEHAVIOR BETWEEN SELENATE AND SELENITE ON DIFFERENT SORBENTS

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

Snyder, Michelle MV; Um, Wooyong

Adsorption of different oxidation species of selenium (Se), selenate (SeO42-) and selenite (SeO32-), with varying pHs (2 - 10) and ionic strengths (I = 0.01 M, 0.1 M and 1.0 M NaNO3) was measured on quartz, aluminum oxide, and synthetic iron oxide (ferrihydrite) using batch reactors to obtain a more detailed understanding of the adsorption mechanisms (e.g., inner- and outer-sphere complex). In addition to the batch experiments with single minerals contained in native Hanford Site sediment, additional batch adsorption studies were conducted with native Hanford Site sediment and groundwater as a function of 1) total Se concentration (from 0.01 tomore » 10 mg L-1) and 2) soil to solution ratios (1:20 and 1:2 grams per mL). Results from these batch studies were compared to a set of saturated column experiments that were conducted with natural Hanford sediment and groundwater spiked with either selenite or selenate to observe the transport behavior of these species. Both batch and column results indicated that selenite adsorption was consistently higher than that of selenate in all experimental conditions used. These different adsorption mechanisms between selenite and selenate result in the varying mobility of Se in the subsurface environment and explain the dependence on the oxidation species.« less

Origin of reduced efficiency in high Ga concentration Cu(In,Ga)Se2 solar cell

NASA Astrophysics Data System (ADS)

Wei, S.-H.; Huang, B.; Deng, H.; Contreras, M. A.; Noufi, R.; Chen, S.; Wang, L. W.

2014-03-01

CuInSe2 (CIS) is one of the most attractive thin-film materials for solar cells. It is well know that alloying Ga into CIS forming Cu(In,Ga)Se2 (CIGS) alloy is crucial to achieve the high efficiency, but adding too much Ga will lead to a decline of the solar cell efficiency. The exact origin of this puzzling phenomenon is currently still under debate. Using first-principles method, we have systemically studied the structural and electronic properties of CIGS alloys. Our phase diagram calculations suggest that increasing growth temperature may not be a critical factor in enhancing the cell performance of CIGS under equilibrium growth condition. On the other hand, our defect calculations identify that high concentration of antisite defects MCu(M =In, Ga) rather than anion defects are the key deep-trap centers in CIGS. The more the Ga concentration in CIGS, the more harmful the deep-trap is. Self-compensation in CIGS, which forms 2VCu + MCudefect complexes, is found to be beneficial to quench the deep-trap levels induced by MCu in CIGS, especially at low Ga concentration. Unfortunately, the density of isolated MCu is quite high and cannot be largely converted into 2VCu + MCu complexes under thermal equilibrium condition. Thus, nonequilibrium growth conditions or low growth temperature that can suppress the formation of the deep-trap centers MCu may be necessary for improving the efficiency of CIGS solar cells with high Ga concentrations.

Colorimetric determination of selenium in mineral premixes .

PubMed

Hurlbut, J A; Burkepile, R G; Geisler, C A; Kijak, P J; Rummel, N G

1997-01-01

A method is described for determination of sodium selenite or sodium selenate in mineral-based premixes. It is based on the formation of intense-yellow piazselenol by Se(IV) and 3,3'-diaminobenzidine. Mineral premixes typically contain calcium carbonate as a base material and magnesium carbonate, silicon dioxide, and iron(III) oxide as minor components or additives. In this method, the premix is digested briefly in nitric acid, diluted with water, and filtered to remove any Iron(III) oxide. Ethylenediaminetetraacetic acid and HCl are added to the filtrate, which is heated to near boiling for 1 h to convert any selenate to selenite. After heating, the solution is buffered between pH 2 and 3 with NaOH and formic acid and treated with NH2OH and EDTA; any Se present forms a complex with 3,3'-diaminobenzidine at 60 degrees C. The solution is made basic with NH4OH, and the piazselenol is extracted into toluene. The absorbance of the complex in dried toluene is measured at 420 nm. The method was validated independently by 2 laboratories. Samples analyzed included calcium carbonate fortified with 100, 200, and 300 micrograms Se in the form of sodium selenite or sodium selenate, a calcium carbonate premix containing sodium selenite, a calcium carbonate premix containing sodium selenate, and a commercial premix; 5 replicates of each sample type were analyzed by each laboratory. Average recoveries ranged from 89 to 109% with coefficients of variation from 1.2 to 13.6%.

Observation of unusual critical region behavior in the magnetic susceptibility of EuSe

NASA Astrophysics Data System (ADS)

Bykovetz, N.; Klein, J.; Lin, C. L.

2018-05-01

The Europium Chalcogenides (EuCh: EuO, EuS, EuSe, and EuTe) have been regarded as model examples of simple, cubic, Heisenberg exchange coupled magnetic systems, with a ferromagnetic nearest-neighbor exchange constant J1 and an antiferromagnetic next-nearest-neighbor constant J2. Unlike the other EuCh, EuSe exhibits a range of complex magnetic behaviors, the latter being attributed to EuSe being near the point where J2=-J1, where its magnetism appears to consist of nearly de-coupled 2D ferromagnetic sheets. Analysis of precision SQUID measurements of the magnetic susceptibility χ in EuSe showed that in the region from ˜Tc to ˜2Tc, a fit of the data to the critical equation χ = χ2Tc(T/Tc-1)-γ gives γ=2.0, an exponent not predicted by any current theory. Additionally, this fit predicts that Tc should be ˜0K. We tentatively interpret this by saying that in the paramagnetic region the system "thinks" EuSe should not order above T=0. Tc=0K is predicted by the Mermin-Wagner theorem (MW) for Heisenberg-coupled 2D magnetic systems, and we can show that when J2=-J1, MW can also be applied to the J1, J2 exchange model of the EuCh to give a rigorous Tc=0 prediction. Under 10 kbar applied pressure EuSe exhibits a different γ and fitted Tc. An additional, and rather strange, critical-region effect was discovered. The EuSe sample was found to exhibit a relaxation effect in a small range of temperatures, just above and just below the actual Tc of 4.7K, with time constants of up to 5 minutes. We cannot yet fully explain this observed macroscopic effect.

The Expression Alteration of BC1 RNA and its Interaction with Eukaryotic Translation Initiation Factor eIF4A Post-Status Epilepticus.

PubMed

Zeng, Xiangchang; Zong, Wenjing; Gao, Qing; Chen, Siyu; Chen, Lulu; Zeng, Guirong; Huang, Weihua; Li, Zhenyu; Zeng, Chang; Xie, Yuanyuan; Li, Xiaohui; Xiao, Bo; Dongsheng-Ouyang; Hu, Kai

2018-05-17

Abnormal dendritic sprouting and synaptic remodelling are important pathological features of temporal lobe epilepsy. BC1 RNA is a translation repressor involved in the regulation of the dendritic protein synthesis and mRNA transport, which is essential for dendritic development and plasticity. The expression alteration of BC1 RNA in the pilocarpine induced epilepsy model remains unknown. It is unclear if the interactions between BC1 RNA and eukaryotic initiation factor 4A (eIF4A) exists in this model. The purpose of this study was to investigate the expression changes of BC1 RNA and its interactions with eIF4A post-status epilepticus (SE). Chloride lithium and pilocarpine were used to induce the SE rat model. Either a whole brain or hippocampus tissues were collected at different time points after SE. The expression patterns of BC1 was detected by qPCR and in situ hybridization. The levels of eIF4AI/II protein expression were analyzed via western blotting and immunohistochemistry. The BC1 RNA-eIF4AI/II interaction was determined by electrophoretic mobility shift assay (EMSA). We found that the BC1 RNA levels decreased in hippocampus 3d, 1w and 2w post-SE before the levels recovered. The eIF4AI/II began to rise 3d post-SE and reached the maximum level 1w post-SE. After 1w post-SE the levels decreased in the hippocampal CA1, CA3 and DG subregions. EMSA analysis showed that BC1 RNA specifically interacted with the eIF4AI/II. The BC1 RNA-eIF4AI/II complex reduced to the lowest level 1w post-SE. Our results suggested that BC1 has a negative regulatory correlation with eIF4AI/II, where BC1 RNA could be involved in epileptogenesis by regulating dendritic protein synthesis.

Scaling analysis and SE simulation of the tilted cylinder-interface capillary interaction

NASA Astrophysics Data System (ADS)

Gao, S. Q.; Zhang, X. Y.; Zhou, Y. H.

2018-06-01

The capillary interaction induced by a tilted cylinder and interface is the basic configuration of many complex systems, such as micro-pillar arrays clustering, super-hydrophobicity of hairy surface, water-walking insects, and fiber aggregation. We systematically analyzed the scaling laws of tilt angle, contact angle, and cylinder radius on the contact line shape by SE simulation and experiment. The following in-depth analysis of the characteristic parameters (shift, stretch and distortion) of the deformed contact lines reveals the self-similar shape of contact line. Then a general capillary force scaling law is proposed to incredibly grasp all the simulated and experimental data by a quite straightforward ellipse approximation approach.

Competition and cooperativity between tetrel bond and chalcogen bond in complexes involving F2CX (X = Se and Te)

NASA Astrophysics Data System (ADS)

Guo, Xin; Liu, Yan-Wen; Li, Qing-Zhong; Li, Wen-Zuo; Cheng, Jian-Bo

2015-01-01

F2CX (X = Se and Te) have two Lewis acid sites of σ-hole and π-hole located respectively in the vicinity of X and C ends, participating in the chalcogen and tetrel bonds with HCN and NH3, respectively. F2CSe forms a stronger tetrel bond, while F2CTe forms a stronger chalcogen bond. F2CX shows weaker tetrel and chalcogen bonds in the ternary system, exhibiting anticooperativity with some different features from positive one. The nature of two interactions and the origin of anticooperativity have been analyzed by means of energy decomposition, molecular electrostatic potential, and orbital interaction.

Educational Equality: Luck Egalitarian, Pluralist and Complex

ERIC Educational Resources Information Center

Calvert, John

2014-01-01

The basic principle of educational equality is that each child should receive an equally good education. This sounds appealing, but is rather vague and needs substantial working out. Also, educational equality faces all the objections to equality per se, plus others specific to its subject matter. Together these have eroded confidence in the…

Ba9V3Se15: a novel compound with spin chains

NASA Astrophysics Data System (ADS)

Zhang, Jun; Liu, Min; Wang, Xiancheng; Zhao, Kan; Duan, Lei; Li, Wenmin; Zhao, Jianfa; Cao, Lipeng; Dai, Guangyang; Deng, Zheng; Feng, Shaomin; Zhang, Sijia; Liu, Qingqing; Yang, Yi-feng; Jin, Changqing

2018-05-01

In this work, a novel compound Ba9V3Se15 with one-dimensional (1D) spin chains was synthesized under high-pressure and high-temperature conditions. It was systematically characterized via structural, magnetic, thermodynamic and transport measurements. Ba9V3Se15 crystallizes into a hexagonal structure with a space group of P-6c2 (188) and the lattice constants of a  =  b  =  9.5745(7) Å and c  =  18.7814(4) Å. The crystal structure consists of face-sharing octahedral VSe6 chains along c axis, which are trimeric and arranged in a triangular lattice in ab-plane. Ba9V3Se15 is a semiconductor and undergoes complex magnetic transitions. In the zero-field-cooled (ZFC) process with magnetic field of 10 Oe, Ba9V3Se15 sequentially undergoes ferrimagnetic and spin cluster glass transition at 2.5 K and 3.3 K, respectively. When the magnetic field exceeds 50 Oe, only the ferrimagnetic transition can be observed. Above the transition temperature, the specific heat contains a significant magnetic contribution that is proportional to T 1/2. The calculation suggests that the nearest neighbor (NN) intra-chain antiferromagnetic exchange J 1 is much larger than the next nearest neighbor (NNN) intra-chain ferromagnetic exchange J 2. Therefore, Ba9V3Se15 can be regarded as an effective ferromagnetic chains with effective spin-1/2 by the formation of the V(2)(↓) V(1)(↑) V(2)(↓) cluster.

Origin of selenium–gold interaction in F{sub 2}CSe⋯AuY (Y = CN, F, Cl, Br, OH, and CH{sub 3}): Synergistic effects

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

Guo, Xin; Yang, Yu-Ping; Li, Qing-Zhong, E-mail: liqingzhong1990@sina.com, E-mail: lihaibei@sdu.edu.cn

Selenium–gold interaction plays an important role in crystal materials, molecular self-assembly, and pharmacochemistry involving gold. In this paper, we unveiled the mechanism and nature of selenium–gold interaction by studying complexes F{sub 2}CSe⋯AuY (Y = CN, F, Cl, Br, OH, and CH{sub 3}). The results showed that the formation of selenium–gold interaction is mainly attributed to the charge transfer from the lone pair of Se atom to the Au—Y anti-bonding orbital. Energy decomposition analysis indicated that the polarization energy is nearly equivalent to or exceeds the electrostatic term in the selenium–gold interaction. Interestingly, the chalcogen–gold interaction becomes stronger with the increasemore » of chalcogen atomic mass in F{sub 2}CX⋯AuCN (X = O, S, Se, and Te). The cyclic ternary complexes are formed with the introduction of NH{sub 3} into F{sub 2}CSe⋯AuY, in which selenium–gold interaction is weakened and selenium–nitrogen interaction is strengthened due to the synergistic effects.« less

The Design of Large-Scale Complex Engineered Systems: Present Challenges and Future Promise

NASA Technical Reports Server (NTRS)

Bloebaum, Christina L.; McGowan, Anna-Maria Rivas

2012-01-01

Model-Based Systems Engineering techniques are used in the SE community to address the need for managing the development of complex systems. A key feature of the MBSE approach is the use of a model to capture the requirements, architecture, behavior, operating environment and other key aspects of the system. The focus on the model differentiates MBSE from traditional SE techniques that may have a document centric approach. In an effort to assess the benefit of utilizing MBSE on its flight projects, NASA Langley has implemented a pilot program to apply MBSE techniques during the early phase of the Materials International Space Station Experiment-X (MISSE-X). MISSE-X is a Technology Demonstration Mission being developed by the NASA Office of the Chief Technologist i . Designed to be installed on the exterior of the International Space Station (ISS), MISSE-X will host experiments that advance the technology readiness of materials and devices needed for future space exploration. As a follow-on to the highly successful series of previous MISSE experiments on ISS, MISSE-X benefits from a significant interest by the

The Difference Se Makes: A Bio-Inspired Dppf-Supported Nickel Selenolate Complex Boosts Dihydrogen Evolution with High Oxygen Tolerance.

PubMed

Pan, Zhong-Hua; Tao, Yun-Wen; He, Quan-Feng; Wu, Qiao-Yu; Cheng, Li-Ping; Wei, Zhan-Hua; Wu, Ji-Huai; Lin, Jin-Qing; Sun, Di; Zhang, Qi-Chun; Tian, Dan; Luo, Geng-Geng

2018-06-12

Inspired by the metal active sites of [NiFeSe]-hydrogenases, a dppf-supported nickel(II) selenolate complex (dppf=1,1'-bis(diphenylphosphino)ferrocene) shows high catalytic activity for electrochemical proton reduction with a remarkable enzyme-like H 2 evolution turnover frequency (TOF) of 7838 s -1 under an Ar atmosphere, which markedly surpasses the activity of a dppf-supported nickel(II) thiolate analogue with a low TOF of 600 s -1 . A combined study of electrochemical experiments and DFT calculations shed light on the catalytic process, suggesting that selenium atom as a bio-inspired proton relay plays a key role in proton exchange and enhancing catalytic activity of H 2 production. For the first time, this type of Ni selenolate-containing electrocatalyst displays a high degree of O 2 and H 2 tolerance. Our results should encourage the development of the design of highly efficient oxygen-tolerant Ni selenolate molecular catalysts. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Genetic variance estimation with imputed variants finds negligible missing heritability for human height and body mass index.

PubMed

Yang, Jian; Bakshi, Andrew; Zhu, Zhihong; Hemani, Gibran; Vinkhuyzen, Anna A E; Lee, Sang Hong; Robinson, Matthew R; Perry, John R B; Nolte, Ilja M; van Vliet-Ostaptchouk, Jana V; Snieder, Harold; Esko, Tonu; Milani, Lili; Mägi, Reedik; Metspalu, Andres; Hamsten, Anders; Magnusson, Patrik K E; Pedersen, Nancy L; Ingelsson, Erik; Soranzo, Nicole; Keller, Matthew C; Wray, Naomi R; Goddard, Michael E; Visscher, Peter M

2015-10-01

We propose a method (GREML-LDMS) to estimate heritability for human complex traits in unrelated individuals using whole-genome sequencing data. We demonstrate using simulations based on whole-genome sequencing data that ∼97% and ∼68% of variation at common and rare variants, respectively, can be captured by imputation. Using the GREML-LDMS method, we estimate from 44,126 unrelated individuals that all ∼17 million imputed variants explain 56% (standard error (s.e.) = 2.3%) of variance for height and 27% (s.e. = 2.5%) of variance for body mass index (BMI), and we find evidence that height- and BMI-associated variants have been under natural selection. Considering the imperfect tagging of imputation and potential overestimation of heritability from previous family-based studies, heritability is likely to be 60-70% for height and 30-40% for BMI. Therefore, the missing heritability is small for both traits. For further discovery of genes associated with complex traits, a study design with SNP arrays followed by imputation is more cost-effective than whole-genome sequencing at current prices.

seNorge2 daily precipitation, an observational gridded dataset over Norway from 1957 to the present day

NASA Astrophysics Data System (ADS)

Lussana, Cristian; Saloranta, Tuomo; Skaugen, Thomas; Magnusson, Jan; Tveito, Ole Einar; Andersen, Jess

2018-02-01

The conventional climate gridded datasets based on observations only are widely used in atmospheric sciences; our focus in this paper is on climate and hydrology. On the Norwegian mainland, seNorge2 provides high-resolution fields of daily total precipitation for applications requiring long-term datasets at regional or national level, where the challenge is to simulate small-scale processes often taking place in complex terrain. The dataset constitutes a valuable meteorological input for snow and hydrological simulations; it is updated daily and presented on a high-resolution grid (1 km of grid spacing). The climate archive goes back to 1957. The spatial interpolation scheme builds upon classical methods, such as optimal interpolation and successive-correction schemes. An original approach based on (spatial) scale-separation concepts has been implemented which uses geographical coordinates and elevation as complementary information in the interpolation. seNorge2 daily precipitation fields represent local precipitation features at spatial scales of a few kilometers, depending on the station network density. In the surroundings of a station or in dense station areas, the predictions are quite accurate even for intense precipitation. For most of the grid points, the performances are comparable to or better than a state-of-the-art pan-European dataset (E-OBS), because of the higher effective resolution of seNorge2. However, in very data-sparse areas, such as in the mountainous region of southern Norway, seNorge2 underestimates precipitation because it does not make use of enough geographical information to compensate for the lack of observations. The evaluation of seNorge2 as the meteorological forcing for the seNorge snow model and the DDD (Distance Distribution Dynamics) rainfall-runoff model shows that both models have been able to make profitable use of seNorge2, partly because of the automatic calibration procedure they incorporate for precipitation. The seNorge2 dataset 1957-2015 is available at https://doi.org/10.5281/zenodo.845733. Daily updates from 2015 onwards are available at http://thredds.met.no/thredds/catalog/metusers/senorge2/seNorge2/provisional_archive/PREC1d/gridded_dataset/catalog.html.

Final report for CCQM-K107: total elements and selenomethionine in human serum

NASA Astrophysics Data System (ADS)

Goenaga Infante, Heidi

2016-01-01

Routine tests that measure the concentration of electrolytes in serum are needed for diagnosis and management of renal, endocrine, acid-base, water balance and other conditions such as screening D- and A-vitamin disorders, kidney insufficiency, bone diseases and leukaemia. The diagnostic concentration ranges for many such markers are narrow, requiring reference methods with small uncertainty. Serum concentration of total selenium (Se) is important in health studies but there is increasing interest in the speciation of selenium compounds in clinical samples such as serum and individual Se- Species are bio-indicators of Se status. The last CCQM IAWG key comparison for elements in the clinical area (CCQM-K14: Ca in human serum) was organized in 2003 and the previous key comparison (CCQM-K60) for Se and Se species used a wheat flour sample. Therefore, the CCQM IAWG agreed that CCQM-K107 and a parallel pilot study CCQM-P146 should be carried out. The candidate human serum sample used for both CCQM-K107 and P146 is of high complexity and contains approximately 1000-fold lower concentrations of selenium methionine (SeMet) than those encountered in the CCQM-K60 wheat flour. This significantly broadens the scope and degree of difficulty of earlier measurements in this field. A total of eleven institutes participated in CCQM-K107 (11 participants for total elements and 7 for SeMet). The performance of the majority of the K107 participants for all the measurands was very good, illustrating their ability to obtain accurate results for analytes such as electrolytes at mg kg-1 level, essential elements at µg kg-1 level and selenium species at µg kg-1 level in a complex biological fluid. The range of agreement between participants was within the interval of ± 0.1% for Ca and up to ± 1.8% for Fe. CMC claims based on total elements in this study may include other elements with similar core competencies (e.g. Se, Cu, Zn) in a wide range of biological materials (including liquids and solids) at a similar level of performance using the same measurement technique applied in CCQM-K107 provided that there are no additional factors (e.g. blank or dissolution issues). CMC claims based on SeMet measurements in this study may be applied to other biological matrices (e.g., tissues) provided that the concentration range is similar and due diligence is taken to ensure an appropriate extraction process is achieved and species specific spikes are available for quantitation by isotope dilution. Indeed, having accepted such conditions, application to quantitation of other organometallic species and other elements in similar matrices should be possible with the same level of performance. Main text To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by the CCQM, according to the provisions of the CIPM Mutual Recognition Arrangement (CIPM MRA).

Change in stress with seismic cycles identified at an out of sequence thrust in an on-land accretionary complex: The Nobeoka thrust, Shimanto Belt, Kyusyu, SW Japan

NASA Astrophysics Data System (ADS)

Yamaguchi, M.; Hashimoto, Y.; Yamaguchi, A.; Kimura, G.

2011-12-01

Seismic surveys along accretionary prisms have revealed that the out-of sequence thrusts (OSTs) are commonly developed within accretionary wedges branching from seismogenic subduction plate boundaries. The OSTs are also recognized in on-land accretionary complexes as large thrust faults cutting paleo-thermal structures. The OSTs are thought to play a role in tsunami genesis at a coseismic event. Stress history on OSTs is significant to understand the OSTs' role in seismic cycles. We estimated, thus palaeostresses from micro-faults along an OST in an on-land accretionary complexes. We focused on the Nobeoka fault which is an OST in an on-land accretionary complex, the Shimato Belt, Kyusyu, SW Japan. A gap in paleothermal temperature (up to 70 degree C) is observed at the fault. The Nobeoka thrust strikes almost EW at coastline. The Cretaceous Makimine formation and Paleogene Kitagawa formation are located at the hanging wall of the fault, comprising mainly of pelitic schist. The footwall of the fault is the Paleogene Hyuga formation composed mainly of shale. A lot of micro-faults are well developed just below the thrust for a few hundred meters to the south. Those micro faults are considered to be related to the Nobeoka thurst because slip direction and sense of the micro-faults are consistent with that of the Nobeoka thrust. The micro-faults are commonly accompanied by mineral veins of quartz and ankerite. Yamaguchi et al. (2010) suggested that the differences of mineral veins are possibly related to the seismic cycle. In this study, we conducted stress inversion analysis for the micro-faults to examine the change in stress between them, which might be related to the seismic cycle. We divided the micro-fault into two as a micro-fault with quartz veins and that with ankerite veins. Slip direction from slicken fibers and slip sense by slicken steps were obtained. HIM (hough inversion method) by Yamaji et al. (2006) was used to estimate the stress. Two stress states and three stress states are identified in the results for ankerite veins and quartz veins, respectively. For ankerite veins, SE oriented and relatively higher dipping sigma3 with axial extension and SE oriented and relatively lower dipping sigma1 with axial compression are recognized. For quartz veins, SE oriented and relatively higher dipping sigma3 with axial extension, NE oriented and almost horizontal sigma1 with triaxial stress ratio, and NW oriented and lower dipping sigma1 with axial compression are observed. While NW-SE axial stress states are observed both from ankelite and quatz veins, NE oriented triaxial stress is identified only from quartz veins. The change in stress states from NW-SE axial stress to NE triaxial stress might be explained by the dynamic Coulomb wedge model suggested by Wang and Hu (2006). The model predicts that the stress within accretionary wedge can be change with seismic cycle, horizontal sigma1 with axial compression at the co-seismic slip and relatively higher dipping sigma1 with triaxial stress in inter-seimsic period.

Alternative stitching method for massively parallel e-beam lithography

NASA Astrophysics Data System (ADS)

Brandt, Pieter; Tranquillin, Céline; Wieland, Marco; Bayle, Sébastien; Milléquant, Matthieu; Renault, Guillaume

2015-03-01

In this study a novel stitching method other than Soft Edge (SE) and Smart Boundary (SB) is introduced and benchmarked against SE. The method is based on locally enhanced Exposure Latitude without cost of throughput, making use of the fact that the two beams that pass through the stitching region can deposit up to 2x the nominal dose. The method requires a complex Proximity Effect Correction that takes a preset stitching dose profile into account. On a Metal clip at minimum half-pitch of 32 nm for MAPPER FLX 1200 tool specifications, the novel stitching method effectively mitigates Beam to Beam (B2B) position errors such that they do not induce increase in CD Uniformity (CDU). In other words, the same CDU can be realized inside the stitching region as outside the stitching region. For the SE method, the CDU inside is 0.3 nm higher than outside the stitching region. 5 nm direct overlay impact from B2B position errors cannot be reduced by a stitching strategy.

PRC2 Represses Hormone-Induced Somatic Embryogenesis in Vegetative Tissue of Arabidopsis thaliana

PubMed Central

Mozgová, Iva

2017-01-01

Many plant cells can be reprogrammed into a pluripotent state that allows ectopic organ development. Inducing totipotent states to stimulate somatic embryo (SE) development is, however, challenging due to insufficient understanding of molecular barriers that prevent somatic cell dedifferentiation. Here we show that Polycomb repressive complex 2 (PRC2)-activity imposes a barrier to hormone-mediated transcriptional reprogramming towards somatic embryogenesis in vegetative tissue of Arabidopsis thaliana. We identify factors that enable SE development in PRC2-depleted shoot and root tissue and demonstrate that the establishment of embryogenic potential is marked by ectopic co-activation of crucial developmental regulators that specify shoot, root and embryo identity. Using inducible activation of PRC2 in PRC2-depleted cells, we demonstrate that transient reduction of PRC2 activity is sufficient for SE formation. We suggest that modulation of PRC2 activity in plant vegetative tissue combined with targeted activation of developmental pathways will open possibilities for novel approaches to cell reprogramming. PMID:28095419

Electronic structure and x-ray magnetic circular dichroism in Mn-doped topological insulators Bi2Se3 and Bi2Te3

NASA Astrophysics Data System (ADS)

Antonov, V. N.; Bekenov, L. V.; Uba, S.; Ernst, A.

2017-12-01

We studied the structural, electronic, and magnetic properties of Mn-doped topological insulators Bi2Se3 and Bi2Te3 within the density-functional theory (DFT) using the generalized gradient approximation (GGA) in the framework of the fully relativistic spin-polarized Dirac linear muffin-tin orbital band-structure method. The x-ray absorption spectra (XAS) and x-ray magnetic circular dichroism at the Mn K and L2 ,3 edges were investigated theoretically from first principles. The calculated results are in good agreement with experimental data. The complex fine structure of the Mn L2 ,3 XAS in Mn-doped Bi2Se3 and Bi2Te3 was found to be not compatible with a pure Mn3 + valency state. Its interpretation demands mixed valent states. The theoretically calculated x-ray emission spectra at the Mn K and L2 ,3 edges are also presented and analyzed.

Target Tracking Using SePDAF under Ambiguous Angles for Distributed Array Radar.

PubMed

Long, Teng; Zhang, Honggang; Zeng, Tao; Chen, Xinliang; Liu, Quanhua; Zheng, Le

2016-09-09

Distributed array radar can improve radar detection capability and measurement accuracy. However, it will suffer cyclic ambiguity in its angle estimates according to the spatial Nyquist sampling theorem since the large sparse array is undersampling. Consequently, the state estimation accuracy and track validity probability degrades when the ambiguous angles are directly used for target tracking. This paper proposes a second probability data association filter (SePDAF)-based tracking method for distributed array radar. Firstly, the target motion model and radar measurement model is built. Secondly, the fusion result of each radar's estimation is employed to the extended Kalman filter (EKF) to finish the first filtering. Thirdly, taking this result as prior knowledge, and associating with the array-processed ambiguous angles, the SePDAF is applied to accomplish the second filtering, and then achieving a high accuracy and stable trajectory with relatively low computational complexity. Moreover, the azimuth filtering accuracy will be promoted dramatically and the position filtering accuracy will also improve. Finally, simulations illustrate the effectiveness of the proposed method.

Trivalent uranium phenylchalcogenide complexes: exploring the bonding and reactivity with CS2 in the Tp*2UEPh series (E = O, S, Se, Te).

PubMed

Matson, Ellen M; Breshears, Andrew T; Kiernicki, John J; Newell, Brian S; Fanwick, Phillip E; Shores, Matthew P; Walensky, Justin R; Bart, Suzanne C

2014-12-15

The trivalent uranium phenylchalcogenide series, Tp*2UEPh (Tp* = hydrotris(3,5-dimethylpyrazolyl)borate, E = O (1), S (2), Se (3), Te (4)), has been synthesized to investigate the nature of the U-E bond. All compounds have been characterized by (1)H NMR, infrared and electronic absorption spectroscopies, and in the case of 4, X-ray crystallography. Compound 4 was also studied by SQUID magnetometry. Computational studies establish Mulliken spin densities for the uranium centers ranging from 3.005 to 3.027 (B3LYP), consistent for uranium-chalcogenide bonds that are primarily ionic in nature, with a small covalent contribution. The reactivity of 2-4 toward carbon disulfide was also investigated and showed reversible CS2 insertion into the U(III)-E bond, forming Tp*2U(κ(2)-S2CEPh) (E = S (5), Se (6), Te (7)). Compound 5 was characterized crystallographically.

Biochemical and biophysical characterization of the selenium-binding and reducing site in Arabidopsis thaliana homologue to mammals selenium-binding protein 1.

PubMed

Schild, Florie; Kieffer-Jaquinod, Sylvie; Palencia, Andrés; Cobessi, David; Sarret, Géraldine; Zubieta, Chloé; Jourdain, Agnès; Dumas, Renaud; Forge, Vincent; Testemale, Denis; Bourguignon, Jacques; Hugouvieux, Véronique

2014-11-14

The function of selenium-binding protein 1 (SBP1), present in almost all organisms, has not yet been established. In mammals, SBP1 is known to bind the essential element selenium but the binding site has not been identified. In addition, the SBP family has numerous potential metal-binding sites that may play a role in detoxification pathways in plants. In Arabidopsis thaliana, AtSBP1 over-expression increases tolerance to two toxic compounds for plants, selenium and cadmium, often found as soil pollutants. For a better understanding of AtSBP1 function in detoxification mechanisms, we investigated the chelating properties of the protein toward different ligands with a focus on selenium using biochemical and biophysical techniques. Thermal shift assays together with inductively coupled plasma mass spectrometry revealed that AtSBP1 binds selenium after incubation with selenite (SeO3(2-)) with a ligand to protein molar ratio of 1:1. Isothermal titration calorimetry confirmed the 1:1 stoichiometry and revealed an unexpectedly large value of binding enthalpy suggesting a covalent bond between selenium and AtSBP1. Titration of reduced Cys residues and comparative mass spectrometry on AtSBP1 and the purified selenium-AtSBP1 complex identified Cys(21) and Cys(22) as being responsible for the binding of one selenium. These results were validated by site-directed mutagenesis. Selenium K-edge x-ray absorption near edge spectroscopy performed on the selenium-AtSBP1 complex demonstrated that AtSBP1 reduced SeO3(2-) to form a R-S-Se(II)-S-R-type complex. The capacity of AtSBP1 to bind different metals and selenium is discussed with respect to the potential function of AtSBP1 in detoxification mechanisms and selenium metabolism. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

Biochemical and Biophysical Characterization of the Selenium-binding and Reducing Site in Arabidopsis thaliana Homologue to Mammals Selenium-binding Protein 1*

PubMed Central

Schild, Florie; Kieffer-Jaquinod, Sylvie; Palencia, Andrés; Cobessi, David; Sarret, Géraldine; Zubieta, Chloé; Jourdain, Agnès; Dumas, Renaud; Forge, Vincent; Testemale, Denis; Bourguignon, Jacques; Hugouvieux, Véronique

2014-01-01

The function of selenium-binding protein 1 (SBP1), present in almost all organisms, has not yet been established. In mammals, SBP1 is known to bind the essential element selenium but the binding site has not been identified. In addition, the SBP family has numerous potential metal-binding sites that may play a role in detoxification pathways in plants. In Arabidopsis thaliana, AtSBP1 over-expression increases tolerance to two toxic compounds for plants, selenium and cadmium, often found as soil pollutants. For a better understanding of AtSBP1 function in detoxification mechanisms, we investigated the chelating properties of the protein toward different ligands with a focus on selenium using biochemical and biophysical techniques. Thermal shift assays together with inductively coupled plasma mass spectrometry revealed that AtSBP1 binds selenium after incubation with selenite (SeO32−) with a ligand to protein molar ratio of 1:1. Isothermal titration calorimetry confirmed the 1:1 stoichiometry and revealed an unexpectedly large value of binding enthalpy suggesting a covalent bond between selenium and AtSBP1. Titration of reduced Cys residues and comparative mass spectrometry on AtSBP1 and the purified selenium-AtSBP1 complex identified Cys21 and Cys22 as being responsible for the binding of one selenium. These results were validated by site-directed mutagenesis. Selenium K-edge x-ray absorption near edge spectroscopy performed on the selenium-AtSBP1 complex demonstrated that AtSBP1 reduced SeO32− to form a R-S-Se(II)-S-R-type complex. The capacity of AtSBP1 to bind different metals and selenium is discussed with respect to the potential function of AtSBP1 in detoxification mechanisms and selenium metabolism. PMID:25274629

Simple enucleation for the treatment of highly complex renal tumors: Perioperative, functional and oncological results.

PubMed

Serni, S; Vittori, G; Frizzi, J; Mari, A; Siena, G; Lapini, A; Carini, M; Minervini, A

2015-07-01

To assess the role of simple enucleation (SE) for the treatment of highly complex renal tumors. Overall, 96 Preoperative Aspects and Dimensions Used for an Anatomical (PADUA) classification score 10 to 13 renal tumors were treated with SE at our institution. All conventional perioperative variables, surgical, functional and oncological results were gathered in a prospectively maintained database. Survival curves were generated using a Kaplan-Meier method. Univariate analysis assessed the outcome differences. Mean (± 1s.d.) clinical tumor diameter was 4.8 (± 1.6 cm). 70.8% of patients had ≥ cT1b stage. The PADUA score was recorded as 10, 11, 12 and 13 in 57.3%, 29.2%, 11.5%, and 2.1% of tumors respectively. Overall, 76 patients were treated with an open approach and 20 robotically. Mean warm ischemia time (WIT) was 19.2 min, and WIT greater than 25 min occurred in 14.6% of cases. Positive surgical margin (PSM) rate was 3.6% and trifecta was achieved in 64.3% of patients. Postoperative surgical complications occurred in 24% of patients, with 14.6% Clavien-Dindo grade 1-2, 8.3% grade 3, and 1% grade 4. Five-year cancer specific survival (CSS), recurrent free survival (RFS), and overall survival (OS) rates resulted 96.1%, 90.8% and 88.0%, respectively. Overall, 4.2% of patients experienced progressive disease. At follow-up, the mean decrease of eGFR from preoperative value was 13.9 ml/min. This was not significantly correlated with PADUA score (p = 0.69). The surgical approach was neither a predictor of Trifecta outcome, nor of postoperative complications, WIT > 25 min or PSM rate. SE is an effective treatment for highly-complex renal tumors, with a potential key role to widen the NSS (nephron sparing surgery) indications according to guidelines. Copyright © 2015 Elsevier Ltd. All rights reserved.

Oxidation of dimethylselenide by δMnO2: oxidation product and factors affecting oxidation rate

USGS Publications Warehouse

Wang, Bronwen; Burau, Richard G.

1995-01-01

Volatile dimethylselenide (DMSe) was transformed to a nonvolatile Se compound in a ??-MnO2 suspension. The nonvolatile product was a single compound identified as dimethylselenoxide based on its mass spectra pattern. After 24 h, 100% of the DMSe added to a ??-MnO2 suspension was converted to nonpurgable Se as opposed to 20%, 18%, and 4% conversion for chromate, permanganate, and the filtrate from the suspension, respectively. Manganese was found in solution after reaction. These results imply that the reaction between manganese oxide and DMSe was a heterogeneous redox reaction involving solid phase ??-MnO2 and solution phase DMSe. Oxidation of DMSe to dimethylselenoxide [OSe(CH3)2] by a ??-MnO2 suspension appears to be first order with respect to ??-MnO2, to DMSe, and to hydrogen ion with an overall rate law of d[OSe(CH3)2 ]/dt = 95 M-2 min-1 [MnO2]1[DMSe]1[H+]1 for the MnO2 concentration range of 0.89 ?? 10-3 - 2.46 ?? 10-3 M, the DMSe concentration range of 3.9 ?? 10-7 - 15.5 ?? 10-7 M Se, and a hydrogen ion concentation range of 7.4 ?? 10-6 -9.5 ?? 10-8 M. A general surface site adsorption model is consistent with this rate equation if the uncharged |OMnOH is the surface adsorption site. DMSe acts as a Lewis base, and the manganese oxide surface acts as a Lewis acid. DMSe adsorption to |OMnOH can be viewed as a Lewis acid/ base complex between the largely p orbitals of the DMSe lone pair and the unoccupied eg orbitals on manganese oxide. For such a complex, frontier molecular orbital theory predicts electron transfer to occur via an inner-sphere complex between the DMSe and the manganese oxide. ?? 1995 American Chemical Society.

Aqueous Phase Synthesis of CuIn Alloy Nanoparticles and Their Application for a CIS (CuInSe2)-Based Printable Solar Battery

PubMed Central

Takahashi, Hideyuki; Fujiki, Hironari; Yokoyama, Shun; Kai, Takayuki; Tohji, Kazuyuki

2018-01-01

To apply CuInSe2 (CIS)-based printable solar batteries; an aqueous phase synthesis method of Cu-In (CI) alloy nanoparticles is studied. Metal complexes in the original solution are restricted to homogenized species by utilizing calculations. For example; [(Cu2+)(ASP2−)2] [ASP: the “body (C4H5O4N)” of aspartic acid (C4H7O4N)] is predominant in the pH 6–13 region (CASP/CCu > 6); while In complexes can be restricted to [(In3+)(OH−)(EDTA4−)] (pH 10–12; CEDTA/CIn = 2) and/or [(In3+)(ASP2−)2] (pH 7–9; CASP/CIn = 5). These results indicate that the added amount of complex reagents should be determined by calculations and not the stoichiometric ratio. The reduction potential of homogenized metal complex is measured by cyclic voltammetry (CV) measurements and evaluated by Nernst’s equation using the overall stability constants. CuIn alloy nanoparticles with a small amount of byproduct (In nanoparticles) are successfully synthesized. The CI precursor films are spin-coated onto the substrate using a 2-propanol dispersion. Then the films are converted into CIS solar cells; which show a maximum conversion efficiency of 2.30%. The relationship between the open circuit potential; short circuit current density; and fill factor indicate that smoothing of the CIS films and improving the crystallinity and thickness increase the solar cell conversion efficiency. PMID:29642413

Selenium Deficiency Induces Autophagy in Immune Organs of Chickens.

PubMed

Khoso, Pervez Ahmed; Pan, Tingru; Wan, Na; Yang, Zijiang; Liu, Ci; Li, Shu

2017-05-01

The aim of the present study was to investigate the effects of selenium (Se) deficiency on autophagy-related genes and on ultrastructural changes in the spleen, bursa of Fabricius, and thymus of chickens. The Se deficiency group was fed a basal diet containing Se at 0.033 mg/kg and the control group was fed the same basal diet containing Se at 0.15 mg/kg. The messenger RNA (mRNA) levels of the autophagy genes microtubule-associated protein 1 light chain 3 (LC3)-I, LC3-II, Beclin 1, dynein, autophagy associated gene 5 (ATG5), and target of rapamycin complex 1 (TORC1) were assessed using real-time qPCR. The protein levels of LC3-II, Beclin 1, and dynein were investigated using western blot analysis. Furthermore, the ultrastructure was observed using an electron microscope. The results indicated that spleen mRNA levels of LC3-I, LC3-II, Beclin 1, dynein, ATG5, and TORC1 and the protein levels of LC3-II, Beclin 1, and dynein were increased in the Se deficiency group compared with the control group. In the bursa of Fabricius, the mRNA levels of LC3-I, LC3-II, Beclin 1, dynein, ATG5, and TORC1 and the protein levels of Beclin 1 and dynein were increased; furthermore, the protein level of LC3-II was decreased in the Se deficiency group compared to the control group. In the thymus, the mRNA levels of LC3-I, Beclin 1, and ATG5 increased; the levels of LC3-II, dynein, and TORC1 were decreased; the protein level of Beclin 1 increased; and the levels of LC3-II and dynein decreased in the Se deficiency group compared to those in the control group. Further cellular morphological changes, such as autophagy vacuoles, autolysosomes, and lysosomal degradation, were observed in the spleen, bursa of Fabricius, and thymus of the Se-deficiency group. In summary, Se deficiency caused changes in autophagy-related genes, which increased the autophagic process and also caused structural damages to the immune organs of chickens.

Testing the effect of habitat structure and complexity on nekton assemblages using experimental oyster reefs

USGS Publications Warehouse

Humphries, Austin T.; LaPeyre, Megan K.; Kimball, Matthew E.; Rozas, Lawrence P.

2011-01-01

Structurally complex habitats are often associated with more diverse and abundant species assemblages in both aquatic and terrestrial ecosystems. Biogenic reefs formed by the eastern oyster (Crassostrea virginica) are complex in nature and are recognized for their potential habitat value in estuarine systems along the US Atlantic and Gulf of Mexico coasts. Few studies, however, have examined the response of nekton to structural complexity within oyster reefs. We used a quantitative sampling technique to examine how the presence and complexity of experimental oyster reefs influence the abundance, biomass, and distribution of nekton by sampling reefs 4 months and 16 months post-construction. Experimental oyster reefs were colonized immediately by resident fishes and decapod crustaceans, and reefs supported a distinct nekton assemblage compared to mud-bottom habitat. Neither increased reef complexity, nor age of the experimental reef resulted in further changes in nekton assemblages or increases in nekton abundance or diversity. The presence of oyster reefs per se was the most important factor determining nekton usage.

Strike-slip deformation reflects complex partitioning of strain in the Nankai Accretionary Prism (SE Japan)

NASA Astrophysics Data System (ADS)

Azevedo, Marco C.; Alves, Tiago M.; Fonseca, Paulo E.; Moore, Gregory F.

2018-01-01

Previous studies have suggested predominant extensional tectonics acting, at present, on the Nankai Accretionary Prism (NAP), and following a parallel direction to the convergence vector between the Philippine Sea and Amur Plates. However, a complex set of thrusts, pop-up structures, thrust anticlines and strike-slip faults is observed on seismic data in the outer wedge of the NAP, hinting at a complex strain distribution across SE Japan. Three-dimensional (3D) seismic data reveal three main families of faults: (1) NE-trending thrusts and back-thrusts; (2) NNW- to N-trending left-lateral strike-slip faults; and (3) WNW-trending to E-W right-lateral strike-slip faults. Such a fault pattern suggests that lateral slip, together with thrusting, are the two major styles of deformation operating in the outer wedge of the NAP. Both styles of deformation reflect a transpressional tectonic regime in which the maximum horizontal stress is geometrically close to the convergence vector. This work is relevant because it shows a progressive change from faults trending perpendicularly to the convergence vector, to a broader partitioning of strain in the form of thrusts and conjugate strike-slip faults. We suggest that similar families of faults exist within the inner wedge of the NAP, below the Kumano Basin, and control stress accumulation and strain accommodation in this latter region.

Chelation of Cu(II), Zn(II), and Fe(II) by Tannin Constituents of Selected Edible Nuts

PubMed Central

Karamać, Magdalena

2009-01-01

The tannin fractions isolated from hazelnuts, walnuts and almonds were characterised by colorimetric assays and by an SE-HPLC technique. The complexation of Cu(II) and Zn(II) was determined by the reaction with tetramethylmurexide, whereas for Fe(II), ferrozine was employed. The walnut tannins exhibited a significantly weaker reaction with the vanillin/HCl reagent than hazelnut and almond tannins, but the protein precipitation capacity of the walnut fraction was high. The SE-HPLC chromatogram of the tannin fraction from hazelnuts revealed the presence of oligomers with higher molecular weights compared to that of almonds. Copper ions were most effectively chelated by the constituents of the tannin fractions of hazelnuts, walnuts and almonds. At a 0.2 mg/assay addition level, the walnut tannins complexed almost 100% Cu(II). The Fe(II) complexation capacities of the tannin fractions of walnuts and hazelnuts were weaker in comparison to that of the almond tannin fraction, which at a 2.5 mg/assay addition level, bound Fe(II) by ~90%. The capacity to chelate Zn(II) was quite varied for the different nut tannin fractions: almond tannins bound as much as 84% Zn(II), whereas the value for walnut tannins was only 8.7%; and for hazelnut tannins, no Zn(II) chelation took place at the levels tested. PMID:20054482

Chelation of Cu(II), Zn(II), and Fe(II) by tannin constituents of selected edible nuts.

PubMed

Karamać, Magdalena

2009-12-22

The tannin fractions isolated from hazelnuts, walnuts and almonds were characterised by colorimetric assays and by an SE-HPLC technique. The complexation of Cu(II) and Zn(II) was determined by the reaction with tetramethylmurexide, whereas for Fe(II), ferrozine was employed. The walnut tannins exhibited a significantly weaker reaction with the vanillin/HCl reagent than hazelnut and almond tannins, but the protein precipitation capacity of the walnut fraction was high. The SE-HPLC chromatogram of the tannin fraction from hazelnuts revealed the presence of oligomers with higher molecular weights compared to that of almonds. Copper ions were most effectively chelated by the constituents of the tannin fractions of hazelnuts, walnuts and almonds. At a 0.2 mg/assay addition level, the walnut tannins complexed almost 100% Cu(II). The Fe(II) complexation capacities of the tannin fractions of walnuts and hazelnuts were weaker in comparison to that of the almond tannin fraction, which at a 2.5 mg/assay addition level, bound Fe(II) by approximately 90%. The capacity to chelate Zn(II) was quite varied for the different nut tannin fractions: almond tannins bound as much as 84% Zn(II), whereas the value for walnut tannins was only 8.7%; and for hazelnut tannins, no Zn(II) chelation took place at the levels tested.

Effective surface passivation of multi-shelled InP quantum dots through a simple complexing with titanium species

NASA Astrophysics Data System (ADS)

Jo, Jung-Ho; Kim, Min-Seok; Han, Chang-Yeol; Jang, Eun-Pyo; Do, Young Rag; Yang, Heesun

2018-01-01

Fluorescent efficiency of various visible quantum dots (QDs) has been incessantly improved to meet industrially high standard mainly through the advance in core/shell heterostructural design, however, their stability against degradable environments appears still lacking. The most viable strategy to cope with this issue was to exploit chemically inert oxide phases to passivate QD surface in the form of either individual overcoating or matrix embedding. Herein, we report a simple but effective means to passivate QD surface by complexing its organic ligands with a metal alkoxide of titanium isopropoxide (Ti(i-PrO)4). For this, highly efficient red-emitting InP QDs with a multi-shell structure of ZnSeS intermediate plus ZnS outer shell are first synthesized and then the surface of resulting InP/ZnSeS/ZnS QDs is in-situ decorated with Ti(i-PrO)4. The presence of Tisbnd O species from Ti(i-PrO)4 on QD surface is verified by x-ray photoelectron and Fourier transform infrared spectroscopic analyses. Two comparative dispersions of pristine versus Ti(i-PrO)4-complexed QDs are exposed for certain periods of time to UV photon and heat and their temporal changes in photoluminescence are monitored, resulting in a huge improvement in QD stability from the latter ones through Ti(i-PrO)4-mediated better surface passivation.

KEY COMPARISON: Key comparison CCQM-K60: Total selenium and selenomethionine in selenised wheat flour

NASA Astrophysics Data System (ADS)

Goenaga Infante, Heidi; Sargent, Mike

2010-01-01

Key comparison CCQM-K60 was performed to assess the analytical capabilities of national metrology institutes (NMIs) to accurately quantitate the mass fraction of selenomethionine (SeMet) and total selenium (at low mg kg-1 levels) in selenised wheat flour. It was organized by the Inorganic Analysis Working Group (IAWG) of the Comité Consultatif pour la Quantité de Matière (CCQM) as a follow-up key comparison to the previous pilot study CCQM-P86 on selenised yeast tablets. LGC Limited (Teddington, UK) and the Institute for National Measurement Standards, National Research Council Canada (NRCC, Ottawa, Canada) acted as the coordinating laboratories. CCQM-K60 was organized in parallel with a pilot study (CCQM-P86.1) involving not only NMIs but also expert laboratories worldwide, thus enabling them to assess their capabilities, discover problems and learn how to modify analytical procedures accordingly. Nine results for total Se and four results for SeMet were reported by the participant NMIs. Methods used for sample preparation were microwave assisted acid digestion for total Se and multiple-step enzymatic hydrolysis and hydrolysis with methanesulfonic acid for SeMet. For total Se, detection techniques included inductively coupled plasma mass spectrometry (ICP-MS) with external calibration, standard additions or isotope dilution analysis (IDMS); instrumental neutron activation analysis (INAA); and graphite furnace atomic absorption spectrometry (GFAAS) with external calibration. For determination of SeMet in the wheat flour sample, the four NMIs relied upon measurements using species-specific IDMS (using 76Se-enriched SeMet) with HPLC-ICP-MS. Eight of the nine participating NMIs reported results for total Se within 3.5% deviation from the key comparison reference value (KCRV). For SeMet, the four participating NMIs reported results within 3.2% deviation from the KCRV. This shows that the performance of the majority of the CCQM-K60 participants was very good, illustrating their ability to obtain accurate results for such analytes in a complex food matrix containing approximately 17 mg kg-1 Se. Main text. To reach the main text of this paper, click on Final Report. Note that this text is that which appears in Appendix B of the BIPM key comparison database kcdb.bipm.org/. The final report has been peer-reviewed and approved for publication by the CCQM, according to the provisions of the CIPM Mutual Recognition Arrangement (MRA).

System Engineering on the Use for Ares I,V - the Simpler, the Better

NASA Technical Reports Server (NTRS)

Kelly, William; Greene, William D.; Greasley, Paul; Ackerman, Peter C.

2008-01-01

The Ares I and Ares V Vehicles will utilize the J-2X rocket engine developed for NASA by the Pratt & Whitney Rocketdyne Company. The J-2X is an improved higher power version of the original J-2 engine used during the Apollo program. With higher power and updated requirements for safety and performance, the J-2X becomes a new engine using state-of-the-art design methodology, materials and manufacturing processes. The implementation of Systems Engineering (SE) principles enables the rapid J-2X development program to remain aligned with the ARES I and V vehicle programs, Meeting the aggressive development schedule is a challenge. Coordinating the best expertise thai NASA and PWR have to offer requires effectively utilizing resources at multiple sites. This presents formidable communication challenges. SE allows honest and open discussions of issues and problems. This simple idea is often overlooked in large and complex SE programs. Regular and effective meetings linking SE objectives to component designs are used to voice differences of opinions with customer and contractor in attendance so that the best mutual decisions can be made on the shortest possible schedule. Regular technical interchange meetings on secure program wide computer networks and CM processes are effective,in the "Controlled Change" process that exemplifies good SE. Good communication is a key effective SE implementation. The System of Systems approach is the vision of the Orion program which facilitates the establishment of dynamic SE processes at all levels including the engine. SE enables requirements evolution by facilitating organizational and process agility. Flow down and distribution of requirements is controlled by Allocation Reports which breakdown numerical design objectives (weight, reliability, etc.) into quanta goals for each component area. Linked databases of design and verification requirements helps eliminate redundancy and potential mistakes inherent m separated systems. Another tool, the Architecture Design Description, is being used to control J-2X system architecture and effectively communicate configuration changes to those involved in the design process. But the proof is in successful program accomplishment. The SE is the methodology being used to meet the challenge of completing J-2X engine certification 2 years ahead of any engine program ever developed at PWR. The Ares I SE system of systems has delivered according to expectations thus far. All major design reviews (SRR. PDR, CDR) have been successfully conducted to satisfy overall program objectives using SE as the basis for accomplishment. The paper describes SE tools and techniques utilized to achieve this success.

The Ecological Domain of Warfare

DTIC Science & Technology

2004-06-01

of military performance in terms of e.g., unpredictability, nonlinearity and self organized criticality. [4] The issues of complex interactions...WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Kockums AB,SE-371 82 Karlskrona,Sweden, , 8. PERFORMING ORGANIZATION REPORT...by the architechture for Open Computational Systems itself [Alberts & Hayes (2003)] Author: Jens-Olof Lindh, Security class: UNCLASSIFIED Status

Analysis of the ZAR1 immune complex reveals determinants for immunity and molecular interactions

USDA-ARS?s Scientific Manuscript database

Plants depend on innate immunity to prevent disease. Plant pathogenic bacteria, like Pseudomonas syringae and Xanthomonas campestris, use the type III secretion system as a molecular syringe to inject type III secreted effector (T3SE) proteins in plants. The primary function of most T3SEs is to supp...

Literacy and Power--The Cases of Tanzania and Rwanda

ERIC Educational Resources Information Center

Wedin, Asa

2008-01-01

In this paper it is claimed that the relation between literacy and power is complex. What people do with literacy has effects on power relations but literacy is not democratic "per se". Drawing from two cases from Tanzania and Rwanda it is argued that plans for adult education and literacy education should consider the perspectives of…

Are You Ready to Assess Social and Emotional Development? SEL Solutions Tools Index

ERIC Educational Resources Information Center

American Institutes for Research, 2015

2015-01-01

Assessing individuals' social and emotional (SE) knowledge, attitudes, and skills is a complex task. It requires careful consideration of the assessment purpose, rigor, practicality, burden, and ethics. Once you have considered these factors and have determined that you are, in fact, "Ready to Assess," you are ready to act and choose an…

Contaminants from cretaceous black shale Part 2: Effect of geology, weathering, climate, and land use on salinity and selenium cycling, Mancos Shale landscapes, southwestern United States

USGS Publications Warehouse

Tuttle, Michele L.W.; Fahy, Juli W.; Elliott, John G.; Grauch, Richard I.; Stillings, Lisa L.

2013-01-01

The Cretaceous Mancos Shale (MS) is a known nonpoint source for a significant portion of the salinity and selenium (Se) loads in the Colorado River in the southwestern United States and northwestern corner of Mexico. These two contaminants pose a serious threat to rivers in these arid regions where water supplies are especially critical. Tuttle et al. (companion paper) investigates the cycling of contaminants in a Colorado River tributary watershed (Uncompahgre River, southwestern Colorado) where the MS weathers under natural conditions. This paper builds on those results and uses regional soil data in the same watershed to investigate the impact of MS geology, weathering intensity, land use, and climate on salt and Se storage in and flux from soils on the natural landscape, irrigated agriculture fields, areas undergoing urban development, and wetlands. The size of salinity and Se reservoirs in the MS soils is quantified. Flux calculations show that during modern weathering, natural landscapes cycle salt and Se; however, little of it is released for transport to the Uncompahgre River (10% of the annual salinity and 6% of the annual Se river loads). When irrigated, salinity and Se loads from the MS soil increase (26% and 57% of the river load, respectively), causing the river to be out of compliance with Federal and State Se standards. During 100 years of irrigation, seven times more Se has been removed from agricultural soil than what was lost from natural landscapes during the entire period of pedogenesis. Under more arid conditions, even less salt and Se are expected to be transported from the natural landscape. However, if wetter climates prevail, transport could increase dramatically due to storage of soluble phases in the non-irrigated soil. These results are critical input for water-resource and land-use managers who must decide whether or not the salinity and Se in a watershed can be managed, what sustainable mitigation strategies are possible, and what landscapes should be targeted. The broader implications include providing a reliable approach for quantifying nonpoint-source contamination from MS and other rock units elsewhere that weather under similar conditions and, together with results from our companion paper, address the complex interplay of geology, weathering, climate, and land use on contaminant cycling in the arid Southwest.

Effect of diet, location and sampling year on bioaccumulation of mercury, selenium and cadmium in pelagic feeding seabirds in Svalbard.

PubMed

Øverjordet, Ida Beathe; Gabrielsen, Geir Wing; Berg, Torunn; Ruus, Anders; Evenset, Anita; Borgå, Katrine; Christensen, Guttorm; Lierhagen, Syverin; Jenssen, Bjørn Munro

2015-03-01

Hepatic concentrations of mercury (Hg), selenium (Se) and cadmium (Cd) were determined in black-legged kittiwakes (Rissa tridactyla) and little auks (Alle alle) from two fjords in Svalbard (Kongsfjorden; 78°57'N, 12°12'E and Liefdefjorden; 79°37'N, 13°20'E). The inflow of Arctic and Atlantic water differs between the two fjords, potentially affecting element accumulation. Trophic positions (TP) were derived from stable nitrogen isotope ratios (δ(15)N), and stable carbon isotope ratios (δ(13)C) were assessed to evaluate the terrestrial influence on element accumulation. Mercury, Cd, TP and δ(13)C varied significantly between locations and years in both species. Trophic position and feeding habits explained Hg and Cd accumulation in kittiwakes, but not in little auks. Biomagnification of Hg and Cd were found in the food webs of both the Atlantic and the Arctic fjord, and no inter-fjord differences were detected. The δ(13)C were higher in the seabirds from Kongsfjorden than in Liefdefjorden, but this did not explain variations in element accumulation. Selenium concentrations were not influenced by Hg accumulation in kittiwakes, indicating baseline levels of Se in this species. In contrast, correlations between Hg and Se and lower Se:Hg ratios in little auks from Kongsfjorden than in Liefdefjorden indicate a more pronounced influence of Se-Hg complex formation in little auks feeding in Atlantic waters. Copyright © 2014 Elsevier Ltd. All rights reserved.

Image simulation for HardWare In the Loop simulation in EO domain

NASA Astrophysics Data System (ADS)

Cathala, Thierry; Latger, Jean

2015-10-01

Infrared camera as a weapon sub system for automatic guidance is a key component for military carrier such as missile for example. The associated Image Processing, that controls the navigation, needs to be intensively assessed. Experimentation in the real world is very expensive. This is the main reason why hybrid simulation also called HardWare In the Loop (HWIL) is more and more required nowadays. In that field, IR projectors are able to cast IR fluxes of photons directly onto the IR camera of a given weapon system, typically a missile seeker head. Though in laboratory, the missile is so stimulated exactly like in the real world, provided a realistic simulation tool enables to perform synthetic images to be displayed by the IR projectors. The key technical challenge is to render the synthetic images at the required frequency. This paper focuses on OKTAL-SE experience in this domain through its product SE-FAST-HWIL. It shows the methodology and Return of Experience from OKTAL-SE. Examples are given, in the frame of the SE-Workbench. The presentation focuses on trials on real operational complex 3D cases. In particular, three important topics, that are very sensitive with regards to IG performance, are detailed: first the 3D sea surface representation, then particle systems rendering especially to simulate flares and at last sensor effects modelling. Beyond "projection mode", some information will be given on the SE-FAST-HWIL new capabilities dedicated to "injection mode".

Study of binary and ternary organic hybrid CdSe quantum dot photodetector

NASA Astrophysics Data System (ADS)

Ramar, M.; Kajal, S.; Pal, Prabir; Srivastava, R.; Suman, C. K.

2015-09-01

The hybrid binary and ternary photodetectors (PDs) were fabricated from P3HT-PC71BM with CdSe quantum dot (QD) materials. The absorption spectra of P3HT:PC71BM (named as B1), P3HT:CdSe (B2) and P3HT:CdSe:PC71BM (T) active blended material were analyzed in the wavelength range from 350 to 800 nm. The current density-voltage characteristics of the device were measured in dark and under illumination for study of detector detectivities and the contact with electrode. The ratio at -0.5 V for PDs B1, B2 and T is 1.1 × 102, 1.9 × 102 and 1.8 × 103, respectively. The values of detectivity for B1, B2 and T are 1 × 1010, 2 × 1010 and 7 × 1011 Jones, respectively. The for PD T is ten times in comparison with B1 and B2 PDs. The linear dynamic range (LDR) value for ternary device is more than double to both binary PDs. The absorption by CdSe QD increases the photon efficiency in the ternary detector, and at the same time the ternary detectors have high detectivity in broad spectral range. The responsivity of current to the light intensity exponent θ for detector B1, B2 and T is ~0.55, 0.55 and 0.62, respectively, which represents a complex process of electron hole generation, recombination and trapping within active material.

Flightless and post-molt survival and movements of female mallards molting in Klamath Basin

USGS Publications Warehouse

Fleskes, Joseph P.; Mauser, David M.; Yee, Julie L.; Blehert, David S.; Yarris, Gregory S.

2010-01-01

Flightless and post-molt survival and movements were studied during August-May, 2001-2002, 2002- 2003 and 2006-2007 for 181 adult female Mallards (Anas platyrhynchos). Birds were radiotagged just before or early in their flightless period on four wetlands that differed in size on Klamath Basin (KB) National Wildlife Refuge complex. Flightless survival varied among years but was higher on two larger than two smaller wetlands; 30-day survival ranged from 11% (SE = 6.5%) on a small wetland in 2006 to 93% (SE = 6.5%) on a large wetland in 2001, and averaged 76.8% (SE = 6.1%). Most flightless mortality was from avian botulism (64%) and predation (26%). Of the 81 radiotagged Mallards that did not die in KB, 80% moved to the Central Valley of California (CVCA) before 31 January, 16% wintered in unknown areas, and 4% remained in KB through 31 January. Mallards departed KB 21 August-13 January (average: 11 Nov 2001, 25 Oct 2002, 19 Nov 2006). Post-molt survival during August-March in KB (20.7%, SE = 6.3%) was lower than in CVCA during this (62.9%, SE = 10.1%) and an earlier study. Survival in KB was consistently high only for females that molted in large permanent marshes, and although the impact of poor survival of molting females on Mallard population dynamics is unknown, KB water management plans should be developed that maintain these habitats.

Optimization of a new methodology for trace determination of elements in biological fluids: Application for speciation of inorganic selenium in children's blood.

PubMed

Akramipour, Reza; Hemati, Mitra; Fattahi, Nazir; Pirsaheb, Meghdad; Ahmadi-Jouibari, Toraj

2017-06-05

The continuous sample drop flow microextraction (CSDFME) joined with the iridium-modified tube graphite furnace atomic absorption spectrometry (GFAAS) has been developed as a highly sensitive technique for the speciation of selenium in blood samples. In this method 32.0μl carbon tetrachloride is transferred to the bottom of a conical sample cup. Then the 5.0ml of aqueous solution transforms to fine droplets while passing through the organic solvent. At this stage, Se(IV)-APDC hydrophobic complex is extracted into the organic solvent. After extraction, the conical sample cup is transferred to the GFAAS and 20μl of extraction solvent was injected into the graphite tube by the aim of autosampler. Under the optimum conditions, the calibration graph was linear in the range of 0.06-3.0μgl -1 with detection limit of 0.02μgl -1 . The enrichment factor and enhancement factor were 106 and 91, respectively. Repeatability (intra-day) and reproducibility (inter-day) of method based on seven replicate measurements of 2.5μgl -1 of selenium were 3.7% and 4.2%, respectively. Total inorganic Se(IV, VΙ) was measured after reduction of Se(VΙ) with gentle boiling in 5M HCl medium for 50min and adjusting pH to 3, and the concentration of Se(VΙ) was calculated by subtracting the Se(IV) concentration from the total selenium concentration. Copyright © 2017 Elsevier B.V. All rights reserved.

Recognition and modification of seX chromosomes.

PubMed

Nusinow, Dmitri A; Panning, Barbara

2005-04-01

Flies, worms and mammals employ dosage compensation complexes that alter chromatin or chromosome structure to equalize X-linked gene expression between the sexes. Recent work has improved our understanding of how dosage compensation complexes achieve X chromosome-wide association and has provided significant insight into the epigenetic modifications directed by these complexes to modulate gene expression. In flies, the prevailing view that dosage compensation complexes assemble on the X chromosome at approximately 35 chromatin-entry sites and then spread in cis to cover the chromosome has been re-evaluated in light of the evidence that these chromatin-entry sites are not required for localization of the complex. By contrast, identification of discrete recruitment elements indicates that nucleation at and spread from a limited number of sites directs dosage compensation complex localization on the worm X-chromosome. Studies in flies and mammals have extended our understanding of how ribonucleoprotein complexes are used to modify X chromatin, for either activation or repression of transcription. Finally, evidence from mammals suggests that the chromatin modifications that mediate dosage compensation are very dynamic, because they are established, reversed and re-established early in development.

Reproductive Hormones and Subclinical Cardiovascular Disease in Midlife Women.

PubMed

Thurston, Rebecca C; Bhasin, Shalender; Chang, Yuefang; Barinas Mitchell, Emma; Matthews, Karen A; Jasuja, Ravi; Santoro, Nanette

2018-05-18

Reproductive hormones are understood to be important to the pathophysiology of cardiovascular disease (CVD) in women. However, standard estradiol (E2) and testosterone (T) assays lack sensitivity at the levels of postmenopausal women. Investigate relations of mass spectrometry-assessed estrone (E1), estradiol (E2), and testosterone (T), and sex hormone binding globulin (SHBG) and subclinical CVD in women. 304 peri- and postmenopausal women, aged 40-60 years, and free of clinical CVD underwent subclinical CVD measurements. E1, E2, and T were assayed using liquid chromatography-tandem mass spectrometry; Free T (FT) was estimated using ensemble allostery models. Associations between hormones and outcomes were analyzed using regression models adjusting for CVD risk factors. Carotid artery intima media thickness (IMT), inter-adventitial diameter (IAD), plaque; brachial flow mediated dilation (FMD). Higher E1 was related to higher FMD [b(SE)=.77(.37), p=.04], indicating better endothelial function. Higher E2 was related to lower IAD [b(SE)=-.07(.02), p=.004], indicating less carotid remodeling. Higher SHBG was related to higher FMD [b(SE)=1.31(.40), p=.001], yet higher IAD [b(SE)=.15(.06), p=.02] and carotid plaque [OR (95%CI)=1.84(1.16-2.91), p=.009]. Higher FT was associated with lower FMD [b(SE)=-1.58(.52), p=.003], yet lower IAD [b(SE)=-.19(.08), p=.01] and carotid plaque [OR(95%CI)=.49(.28-.88), p=.02]. Thus, higher SHBG and lower FT was associated with better endothelial function, yet greater carotid remodeling and plaque. Endogenous E1 levels were related to endothelial function and E2 to vascular remodeling, suggesting distinct roles of these estrogens. SHBG and free testosterone have a complex role and depend on the vessel under study.

Evaluation of two 3D virtual computer reconstructions for comparison of cleft lip and palate to normal fetal microanatomy.

PubMed

Landes, Constantin A; Weichert, Frank; Geis, Philipp; Helga, Fritsch; Wagner, Mathias

2006-03-01

Cleft lip and palate reconstructive surgery requires thorough knowledge of normal and pathological labial, palatal, and velopharyngeal anatomy. This study compared two software algorithms and their 3D virtual anatomical reconstruction because exact 3D micromorphological reconstruction may improve learning, reveal spatial relationships, and provide data for mathematical modeling. Transverse and frontal serial sections of the midface of 18 fetal specimens (11th to 32nd gestational week) were used for two manual segmentation approaches. The first manual segmentation approach used bitmap images and either Windows-based or Mac-based SURFdriver commercial software that allowed manual contour matching, surface generation with average slice thickness, 3D triangulation, and real-time interactive virtual 3D reconstruction viewing. The second manual segmentation approach used tagged image format and platform-independent prototypical SeViSe software developed by one of the authors (F.W.). Distended or compressed structures were dynamically transformed. Registration was automatic but allowed manual correction, such as individual section thickness, surface generation, and interactive virtual 3D real-time viewing. SURFdriver permitted intuitive segmentation, easy manual offset correction, and the reconstruction showed complex spatial relationships in real time. However, frequent software crashes and erroneous landmarks appearing "out of the blue," requiring manual correction, were tedious. Individual section thickness, defined smoothing, and unlimited structure number could not be integrated. The reconstruction remained underdimensioned and not sufficiently accurate for this study's reconstruction problem. SeViSe permitted unlimited structure number, late addition of extra sections, and quantified smoothing and individual slice thickness; however, SeViSe required more elaborate work-up compared to SURFdriver, yet detailed and exact 3D reconstructions were created.

Structural and morphological study of chemically synthesized CdSe thin films

NASA Astrophysics Data System (ADS)

Agrawal, P.; Singh, Randhir; Sharma, Jeewan; Sachdeva, M.; Singh, Anupinder; Bhargava, A.

2018-05-01

Nanocrystalline CdSe thin films were prepared by Chemical Bath Deposition (CBD) method using potassium nitrilo-triacetic acid cadmium complex and sodium selenosulphite. The as deposited films were red in color, uniform and well adherent to the glass substrate. These films were strongly dependent on the deposition parameters such as bath composition, deposition temperature and time. Films were annealed at 350 °C for four hours. The morphological, structural and optical properties were studied using X-ray diffraction (XRD), UV-VIS spectrophotometer measurements, scanning electron microscopy and atomic force microscopy. The XRD analysis confirmed that films are predominantly in hexagonal phase. Scanning electron micrograph shows that the grains are uniformly spread all over the film and each grain contains many nanocrystals with spherical shapes.

Attitude and articulation control system testing for Project Galileo

NASA Technical Reports Server (NTRS)

Rasmussen, R. D.

1981-01-01

A type of facility required to integrate and test a complex autonomous spacecraft subsystem is presented, using the attitude and articulation control subsystem (AACS) of Project Galileo as an example. The equipment created for testing the AACS at both the subsystem and spacecraft system levels is described, including a description of the support equipment (SE) architecture in its two main configurations, closed loop simulation techniques, the user interface to the SE, and plans for the use of the facility beyond the test period. This system is capable of providing a flight-like functional environment through the use of accurate real-time models and carefully chosen points of interaction, and flexible control capability and high visibility to the test operator.

Identification of Microalgae by Laser Desorption/Ionization Mass Spectrometry Coupled with Multiple Nanomatrices.

PubMed

Peng, Lung-Hsiang; Unnikrishnan, Binesh; Shih, Chi-Yu; Hsiung, Tung-Ming; Chang, Jeng; Hsu, Pang-Hung; Chiu, Tai-Chia; Huang, Chih-Ching

2016-04-01

In this study, we demonstrate a simple method to identify microalgae by surface-assisted laser desorption/ionization mass spectrometry (SALDI-MS) using three different substrates: HgSe, HgTe, and HgTeSe nanostructures. The fragmentation/ionization processes of complex molecules in algae varied according to the heat absorption and transfer efficiency of the nanostructured matrices (NMs). Therefore, the mass spectra obtained for microalgae showed different patterns of m/z values for different NMs. The spectra contained both significant and nonsignificant peaks. Constructing a Venn diagram with the significant peaks obtained for algae when using HgSe, HgTe, and HgTeSe NMs in m/z ratio range 100-1000, a unique relationship among the three sets of values was obtained. This unique relationship of sets is different for each species of microalgae. Therefore, by observing the particular relationship of sets, we successfully identified different algae such as Isochrysis galbana, Emiliania huxleyi, Thalassiosira weissflogii, Nannochloris sp., Skeletonema cf. costatum, and Tetraselmis chui. This simple and cost-effective SALDI-MS analysis method coupled with multi-nanomaterials as substrates may be extended to identify other microalgae and microorganisms in real samples. Graphical Abstract Identification of microalgae by surface-assisted laser desorption/ionization mass spectrometry coupled with three different mercury-based nanosubstrates.

Detection of pathogens using luminescent CdSe/ZnS dendron nanocrystals and a porous membrane immunofilter.

PubMed

Liu, Yongcheng; Brandon, Robert; Cate, Michael; Peng, Xiaogang; Stony, Robert; Johnson, Michael

2007-11-15

A biosensor system for detection of pathogens was developed by using CdSe/ZnS core/shell dendron nanocrystals with high efficiency and stability as fluorescence labels and a flowing chamber with a microporous immunofilter. The antibody-immobilized immunofilter captured the targeted pathogens, Escherichia coli O157:H7 as an example for bacteria and hepatitis B being a model system for viruses. The CdSe/ZnS core/shell dendron nanocrystals were conjugated with the corresponding antibodies and then passed through the microporous membrane where they attached to the membrane-antigen-antibody. The efficient and stable photoluminescence (PL) of the CdSe/ZnS nanocrystals on the formed "sandwich" structure complexes (membrane-antigen-antibody conjugated with the nanocrystals) was used as the detection means. The effects of the pore size of the membranes, buffer pH, and assay time on the detection of E. coli O157:H7 were investigated and optimized. The detectable level of this new system was as low as 2.3 CFU/mL for E. coli O157:H7 and 5 ng/mL for hepatitis B surface Ag (HBsAg). The assay time was shortened to 30 min without any enrichment and incubation.

Forensic-paternity effectiveness and genetics population analysis of six non-CODIS mini-STR loci (D1S1656, D2S441, D6S1043, D10S1248, D12S391, D22S1045) and SE33 in Mestizo and Amerindian populations from Mexico.

PubMed

Burguete-Argueta, Nelsi; Martínez De la Cruz, Braulio; Camacho-Mejorado, Rafael; Santana, Carla; Noris, Gino; López-Bayghen, Esther; Arellano-Galindo, José; Majluf-Cruz, Abraham; Antonio Meraz-Ríos, Marco; Gómez, Rocío

2016-11-01

STRs are powerful tools intensively used in forensic and kinship studies. In order to assess the effectiveness of non-CODIS genetic markers in forensic and paternity tests, the genetic composition of six mini short tandem repeats-mini-STRs-(D1S1656, D2S441, D6S1043, D10S1248, D12S391, D22S1045) and the microsatellite SE33 in Mestizo and Amerindian populations from Mexico were studied. Using multiplex polymerase chain reactions and capillary electrophoresis, this study genotyped all loci from 870 chromosomes and evaluated the statistical genetic parameters. All mini-STRs studied were in agreement with HW and linkage equilibrium; however, an important HW departure for SE33 was found in the Mestizo population (p ≤ 0.0001). Regarding paternity and forensic statistical parameters, high values of combined power discrimination and mean power of exclusion were found using these seven markers. The principal co-ordinate analysis based on allele frequencies of three mini-STRs showed the complex genetic architecture of the Mestizo population. The results indicate that this set of loci is suitable to genetically identify individuals in the Mexican population, supporting its effectiveness in human identification casework. In addition, these findings add new statistical values and emphasise the importance of the use of non-CODIS markers in complex populations in order to avoid erroneous assumptions.

How many tigers Panthera tigris are there in Huai Kha Khaeng Wildlife Sanctuary, Thailand? An estimate using photographic capture-recapture sampling

USGS Publications Warehouse

Simcharoen, S.; Pattanavibool, A.; Karanth, K.U.; Nichols, J.D.; Kumar, N.S.

2007-01-01

We used capture-recapture analyses to estimate the density of a tiger Panthera tigris population in the tropical forests of Huai Kha Khaeng Wildlife Sanctuary, Thailand, from photographic capture histories of 15 distinct individuals. The closure test results (z = 0.39, P = 0.65) provided some evidence in support of the demographic closure assumption. Fit of eight plausible closed models to the data indicated more support for model Mh, which incorporates individual heterogeneity in capture probabilities. This model generated an average capture probability $\\hat p$ = 0.42 and an abundance estimate of $\\widehat{N}(\\widehat{SE}[\\widehat{N}])$ = 19 (9.65) tigers. The sampled area of $\\widehat{A}(W)(\\widehat{SE}[\\widehat{A}(W)])$ = 477.2 (58.24) km2 yielded a density estimate of $\\widehat{D}(\\widehat{SE}[\\widehat{D}])$ = 3.98 (0.51) tigers per 100 km2. Huai Kha Khaeng Wildlife Sanctuary could therefore hold 113 tigers and the entire Western Forest Complex c. 720 tigers. Although based on field protocols that constrained us to use sub-optimal analyses, this estimated tiger density is comparable to tiger densities in Indian reserves that support moderate prey abundances. However, tiger densities in well-protected Indian reserves with high prey abundances are three times higher. If given adequate protection we believe that the Western Forest Complex of Thailand could potentially harbour >2,000 wild tigers, highlighting its importance for global tiger conservation. The monitoring approaches we recommend here would be useful for managing this tiger population.

The effect of micronutrient supplementation on active TB incidence early in HIV infection in Botswana

PubMed Central

Campa, Adriana; Baum, Marianna K; Bussmann, Hermann; Martinez, Sabrina Sales; Farahani, Mansour; van Widenfelt, Erik; Moyo, Sikhulile; Makhema, Joseph; Essex, Max; Marlink, Richard

2017-01-01

Background Coinfection with active tuberculosis (TB) is one of the leading causes of death in people living with HIV (PLWH) in Africa. This investigation explores the role of micronutrient supplementation in preventing active TB in PLWH. Methods A randomized trial of nutritional supplementation was conducted among antiretroviral- naïve (without previous antiretroviral treatment [ART]) HIV-infected people in Botswana between 2004 and 2009. The study had a factorial design with four arms: the selenium (Se) alone arm, the multivitamins (MVT) alone arm that contained vitamin B complex and vitamins C and E, the combined Se+MVT group and the placebo group. Those participants with prior or current active TB were excluded, as were participants with advanced HIV disease (CD4 <250 cells/μL) or who had already qualified for ART. HIV-positive adults (N=878) were followed monthly for study pill dispensation, every 3 months for CD4 cell count and every 6 months for viral load during 24 months or until they were started on ART. Results The participants' characteristics were not significantly different among the four groups at baseline. Supplementation with Se alone (hazard ratio =0.20, 95% confidence interval: 0.04, 0.95, P=0.043) and the two combined SE groups (Se and Se+MVT) had significantly lower risk of developing incident TB disease compared with placebo in multivariate adjusted models (hazard ratio=0.32, 95% confidence interval: 0.11, 0.93, P=0.036). Multivitamins alone did not affect the incidence of TB. Isoniazid preventive therapy was received by 12.2% of participants, a rate that was not significantly different among the four study arms (P=0.122) and the newly diagnosed cases. Conclusion Se supplementation, alone and with MVT, decreased the incidence of TB disease in PLWH who were ART-naïve. Supplementation with these micronutrients should be considered in HIV infection, prior to ART, in areas where TB and malnutrition are endemic. PMID:29187783

m-Trifluoromethyl-diphenyl diselenide, a multi-target selenium compound, prevented mechanical allodynia and depressive-like behavior in a mouse comorbid pain and depression model.

PubMed

Brüning, César Augusto; Martini, Franciele; Soares, Suelen Mendonça; Sampaio, Tuane Bazanella; Gai, Bibiana Mozzaquatro; Duarte, Marta M M F; Nogueira, Cristina Wayne

2015-12-03

Chronic pain and depression are two complex states that often coexist in the clinical setting and traditional antidepressants and analgesics have shown limited clinical efficacy. There is an intricate communication between the immune system and the central nervous system and inflammation has been considered a common mediator of pain-depression comorbidity. This study evaluated the effect of m-trifluoromethyl diphenyl diselenide [(m-CF3-PhSe)2], an organoselenium compound that has been reported to have both antinociceptive and antidepressant-like actions, in the comorbidity of chronic pain and depression induced by partial sciatic nerve ligation (PSNL) in an inflammatory approach. Mice were submitted to PSNL during 4weeks and treated with (m-CF3-PhSe)2 acutely (0.1-10mg/kg, i.g.) or subchronically (0.1mg/kg, i.g., once a day during the 3rd and 4th weeks). Both treatments prevented PSNL-increased pain sensitivity and depressive-like behavior observed in Von-Frey hair (VFH) and forced swimming (FST) tests, respectively. These effects could be mainly associated with an anti-inflammatory action of (m-CF3-PhSe)2 which reduced the levels of pro-inflammatory cytokines, NF-κB and COX-2, and p38 MAPK activation that were increased by PSNL. (m-CF3-PhSe)2 also increased the BDNF levels and reduced glutamate release and 5-HT uptake altered by PSNL. Although acute and subchronic treatments with (m-CF3-PhSe)2 prevented these alterations induced by PSNL, the best results were found when (m-CF3-PhSe)2 was subchronically administered to mice. Considering the potential common mechanisms involved in the comorbidity of inflammation-induced depression and chronic pain, the results found in this study indicate that (m-CF3-PhSe)2 could become an interesting molecule to treat long-lasting pathological pain associated with depression. Copyright © 2015 Elsevier Inc. All rights reserved.

An international internship on social development led by Canadian nursing students: empowering learning.

PubMed

Zanchetta, Margareth; Schwind, Jasna; Aksenchuk, Kateryna; Gorospe, Franklin F; Santiago, Lira

2013-07-01

A Canadian nursing student-led knowledge dissemination project on health promotion for social development was implemented with local professionals and communities in Brazil. (a) to identify how student-interns contrasted Canadian and Brazilian cultural and social realities within a primary healthcare context from a social development perspective; (b) to examine how philosophical underpinnings, including social critical theory and notions of social justice, guided student-interns in acknowledging inequalities in primary healthcare in Brazil; and (c) to participate in the debate on the contribution of Canadian nursing students to the global movement for social development. A qualitative appraisal of short-term outcomes of an international internship in the cities of Birigui & Araçatuba (São Paulo-Brazil). Four Canadian fourth-year undergraduate nursing students enrolled in a metropolitan university program. Recruitment was through an email invitation to the student-interns, who accepted, and signed informed consent forms. Their participation was unpaid and voluntary. One-time individual interviews were conducted at the end of their internships. Transcriptions of the audio-recorded interviews were coded using the qualitative software program ATLAS ti 6.0. The findings were analyzed using thematic analysis. Student-interns' learning unfolded from making associations among concepts, new ideas, and their previous experiences, leading to a personal transformation through which they established new conceptual and personal connections. The two main themes revealed by the thematic analysis were dichotomizing realities, that is, acknowledging the existence of "two sides of each situation," and discovering an unexpected reciprocity between global and urban health. Furthermore, the student-interns achieved personal and professional empowerment. The knowledge gained from the international experience helped the student-interns learn how to collaborate with Brazilian society's sectors to improve the social conditions of a "marginalized population". Student-interns became aware of their inner power to promote change by making invisible inequity visible in their own terms. Copyright © 2013 Elsevier Ltd. All rights reserved.

Field based geothermal exploration: Structural controls in the Tarutung Basin/North Central Sumatra (Indonesia)

NASA Astrophysics Data System (ADS)

Nukman, M.; Moeck, I.

2012-04-01

The Tarutung Basin is one of several basins along the prominent Sumatra Fault System (SFS) which represents a dextral strike slip fault zone segmented into individual fault strands. The basins are located at right-stepping transfer. The Tarutung Basin hosts geothermal manifestations such as hot springs and travertines indicating a geothermal system with some decent potential in the subsurface. As part of geothermal exploration, field geology is investigated focusing on how the structural setting controls the thermal manifestation distribution. A complex fault pattern is now newly mapped and evidences sinistral faults striking E-W (Silangkitang), normal faults striking SE-NW at the eastern strand of Tarutung Basin (Sitompul) and normal faults striking NW-SE at the western strand of the basin (Sitaka). These structures form an angle greater than 450 with respect to the current maximum principal stress which is oriented in N-S. Secondary sinistral shear fractures identified as antithetic Riedel shears can be correlated with hot spring locations at Silangkitang, forming an angle of 500 with respect to the current maximum stress. A large angle of normal fault and antithetic Riedel shear trend with respect to the current maximum stress direction indicates that the structures have been rotated. Unidentified dextral strike slip faults might exist at the eastern strand of Tarutung Basin to accommodate the clockwise rotation between the eastern boundary of the basin and the NW-SE striking normal fault of Panabungan. Normal faults striking parallel with the SFS East of the basin are interpreted as dilatational jogs caused by the clockwise rotated block movement with respect to the NW-SE fault trend sinistral shear along ENE-WSW faults. Silicified pryroclastics in association with large discharge at hot springs at these NW-SE striking normal faults support this hypothesis. As proposed by Nivinkovich (1976) and Nishimura (1986) Sumatra has rotated 20° clockwise since the last two million years due to the increase in sea-floor spreading rate of the Indian-Australian plate. The combination of regional clockwise rotation of Sumatra with local clockwise rotation caused by simple shear along the dextral SFS might generate the complex fault pattern which controls fluid flow of thermal water and placement of hot springs. Acknowledgements : Deutscher Akademischer Austausch Dienst, DAAD. German Ministry for Education and Research, BMBF. Badan Geologi - KESDM Bandung, Indonesia.

Miocene to Recent geological evolution of the Lazufre segment in the Andean volcanic arc

NASA Astrophysics Data System (ADS)

Naranjo, J. A.; Villa, V.; Ramírez, C.; Pérez de Arce, C.

2014-12-01

The volcano-tectonic setting in which the InSAR-detected Lazufre deformation is developing is particularly relevant in the evolution of this Andean volcanic arc segment (25-26°S). Through regional mapping techniques, a comprehensive field control in addition to geochronological sampling, various volcanic units comprising stratovolcanoes, volcanic complexes, ignimbrites and caldera structures are distinguished. The Lazufre intumescence is located above the overlying block of the NE trending Middle Miocene, Pedernales-Arizaro overthrust. This area comprises an Upper Miocene (8-4 Ma) basal unit of andesitic-dacitic volcanoes and lava fields, upon which nine volcanic complexes of similar composition, including Caletones de Cori Ignimbrite and Escorial Volcano, Lastarria, Cordón del Azufre and Bayo volcanic complexes, were emplaced in several pulses between 3.5 Ma and Holocene times. Coalescing Lazufre structure, immediately to the SE, we have discovered the Miocene (9.8 Ma) Los Colorados caldera. This caldera is 30 km in diameter and sourced the homonymous dacitic ignimbrite of about 500 km3. The caldera scarp was formed in Paleozoic rocks, Miocene dacitic-rhyolitic ignimbrites and ~16 and 10 Ma volcanoes. A 6.9-6.8 Ma andesitic-dacitic volcano ridge formed by Abra Grande, Río Grande and Aguas Calientes stratovolcanoes, from NE to SW, is nested on the caldera floor. Lavas of early stages of Cordón del Azufre and Bayo complexes were shed into the NW part of the caldera. The coalescing structure formed by the Lazufre intumescence and Los Colorados caldera is conjugate at about 30° to the Pedernales-Arizaro overthrust, and has a NW-SE orientation, parallel to the Archibarca lineament. A SE to NW migration of volcanism is observed along this structure at least since the Middle Miocene. We proposed that, since Miocene, tectonic spaces with no surficial fault displacements and conjugated to the main compressive structures within the upper crust, have been created as a result of tensional stresses. Subsequently, the so increased lithostatic gradient could play a major role in the vertical traction of magma rising, favoring crustal assimilation processes. The available geochronological data indicate that the deformation that preceded the Los Colorados caldera occurred in a maximum period between 13 and 10 Ma.

Nucleophilicities of Lewis Bases B and Electrophilicities of Lewis Acids A Determined from the Dissociation Energies of Complexes B⋯A Involving Hydrogen Bonds, Tetrel Bonds, Pnictogen Bonds, Chalcogen Bonds and Halogen Bonds.

PubMed

Alkorta, Ibon; Legon, Anthony C

2017-10-23

It is shown that the dissociation energy D e for the process B⋯A = B + A for 250 complexes B⋯A composed of 11 Lewis bases B (N₂, CO, HC≡CH, CH₂=CH₂, C₃H₆, PH₃, H₂S, HCN, H₂O, H₂CO and NH₃) and 23 Lewis acids (HF, HCl, HBr, HC≡CH, HCN, H₂O, F₂, Cl₂, Br₂, ClF, BrCl, H₃SiF, H₃GeF, F₂CO, CO₂, N₂O, NO₂F, PH₂F, AsH₂F, SO₂, SeO₂, SF₂, and SeF₂) can be represented to good approximation by means of the equation D e = c ' N B E A , in which N B is a numerical nucleophilicity assigned to B, E A is a numerical electrophilicity assigned to A, and c ' is a constant, conveniently chosen to have the value 1.00 kJ mol -1 here. The 250 complexes were chosen to cover a wide range of non-covalent interaction types, namely: (1) the hydrogen bond; (2) the halogen bond; (3) the tetrel bond; (4) the pnictogen bond; and (5) the chalcogen bond. Since there is no evidence that one group of non-covalent interaction was fitted any better than the others, it appears the equation is equally valid for all the interactions considered and that the values of N B and E A so determined define properties of the individual molecules. The values of N B and E A can be used to predict the dissociation energies of a wide range of binary complexes B⋯A with reasonable accuracy.

Reconstruction of the strain pattern in the Somma-Vesuvius area: field and remote sensing analyses

NASA Astrophysics Data System (ADS)

D'Assisi Tramparulo, Francesco; Bisson, Marina; Isaia, Roberto; Tadini, Alessandro; Vitale, Stefano

2016-04-01

Keywords: Somma-Vesuvio, structural analysis, volcano-tectonics. This study present a detailed structural analysis of the Somma-Vesuvio (SV) volcanic complex that couples field data about faults, fractures and dykes with the analysis of lineaments identified from high-resolution (1m) DTM deriving from LiDAR data. Field data were collected within the SV caldera,in some quarries along the volcano flanks, and in few outcrops along the carbonate reliefs bounding the southern sector of the Campania plain. A total of 8,500 orientation data have been analyzed through rose diagrams and inversion methods while a total of more than 4,000 lineaments were identified after the analyses of multiple hill shades obtained by applying different pseudo-illuminations (from NW, NE, SE and SW) and appropriate filters to the original DTM. Results indicate a complex interaction between volcanic (local) and tectonic (regional) stress fields. The preliminary analysis of lineaments indicate that most of them are radial with respect to the center of the caldera, however a "tectonic" component is present, mainly represented by the NNE-SSW, ENE-WSW and the well-known Apenninic (NW-SE) direction.

A review on the role of nutraceuticals as simple as se(2+) to complex organic molecules such as glycyrrhizin that prevent as well as cure diseases.

PubMed

Jose, Regi; Sajitha, G R; Augusti, K T

2014-04-01

Nutraceuticals are nutritional medicines which are present in edible food items. Most of them are antioxidants with various other biological properties viz, anti inflammatory, anti atherogenic, anticancer, anti viral, anti aging properties etc. They are as simple as minerals like Se(2+) to complex organic molecules such as glycyrrhizin (Ca(2+), K(+) salts of glycyrrhizic acid). They can prevent as well as cure various diseases. Most of the medical people are not aware of the importance of the nutraceuticals as such matters are not part of their text books. Many still think that vitamins are the major nutritional medicines. Actually other dietary principles like terpenes, carotenes, phytosterols, polyphenols, flavanoids, di and poly sulphides, their sulfoxides and their precursor amino acids are necessary to scavenge free radicals in the body which are reactive oxygen species to protect and maintain the vitamin levels in the body. They down regulate the activities of those enzymes which are increased in diseases and they increase those that remove oxidants and detoxify carcinogens. They are immune boosters too. Recently glucosinolates, non toxic alkaloids, certain proteins and even fiber are included in the list of nutraceuticals.

Whole genome sequencing and imputation in isolated populations identify genetic associations with medically-relevant complex traits

PubMed Central

Southam, Lorraine; Gilly, Arthur; Süveges, Dániel; Farmaki, Aliki-Eleni; Schwartzentruber, Jeremy; Tachmazidou, Ioanna; Matchan, Angela; Rayner, Nigel W.; Tsafantakis, Emmanouil; Karaleftheri, Maria; Xue, Yali; Dedoussis, George; Zeggini, Eleftheria

2017-01-01

Next-generation association studies can be empowered by sequence-based imputation and by studying founder populations. Here we report ∼9.5 million variants from whole-genome sequencing (WGS) of a Cretan-isolated population, and show enrichment of rare and low-frequency variants with predicted functional consequences. We use a WGS-based imputation approach utilizing 10,422 reference haplotypes to perform genome-wide association analyses and observe 17 genome-wide significant, independent signals, including replicating evidence for association at eight novel low-frequency variant signals. Two novel cardiometabolic associations are at lead variants unique to the founder population sequences: chr16:70790626 (high-density lipoprotein levels beta −1.71 (SE 0.25), P=1.57 × 10−11, effect allele frequency (EAF) 0.006); and rs145556679 (triglycerides levels beta −1.13 (SE 0.17), P=2.53 × 10−11, EAF 0.013). Our findings add empirical support to the contribution of low-frequency variants in complex traits, demonstrate the advantage of including population-specific sequences in imputation panels and exemplify the power gains afforded by population isolates. PMID:28548082

Structure, vibrations and quantum chemical investigations of hydrogen bonded complex of bis(1-hydroxy-2-methylpropan-2-aminium)selenate

NASA Astrophysics Data System (ADS)

Thirunarayanan, S.; Arjunan, V.; Marchewka, M. K.; Mohan, S.

2017-04-01

The hydrogen bonded molecular complex bis(1-hydroxy-2-methylpropan-2-aminium)selenate (C8H24N2O6Se) has been prepared by the reaction of 2-amino-2-methyl propanol and selenic acid. The X-ray diffraction analysis revealed that the intermolecular proton transfer from selenic acid (SeO4H2) to 2-amino-2-methylpropanol results in the formation of bis(1-hydroxy-2-methylpropan-2-aminium)selenate (HMPAS) salt and the fragments are connected through H-bonding and ion pairing. The N-H⋯O and O-H⋯O interactions between 2-amino-2-methylpropanol and selenic acid determine the supramolecular arrangement in three-dimensional space. The salt crystallises in the space group P121/n1 of monoclinic system. The complete vibrational assignments of HMPAS have been performed by FTIR and FT-Raman spectroscopy. The experimental data are correlated with the structural properties namely the energy, thermodynamic parameters, atomic charges, hybridization concepts and vibrational frequencies determined by quantum chemical studies performed with B3LYP method using 6-311++G*, 6-31+G* and 6-31G** basis sets.

Hydrogen-impurity complexes in III V semiconductors

NASA Astrophysics Data System (ADS)

Ulrici, W.

2004-12-01

This review summarizes the presently available knowledge concerning hydrogen-impurity complexes in III-V compounds. The impurities form shallow acceptors on group III sites (Be, Zn, Cd) and on group V sites (C, Si, Ge) as well as shallow donors on group V sites (S, Se, Te) and on group III sites (Si, Sn). These complexes are mainly revealed by their hydrogen stretching modes. Therefore, nearly all information about their structure and dynamic properties is derived from vibrational spectroscopy. The complexes of shallow impurities with hydrogen have been most extensively investigated in GaAs, GaP and InP. This holds also for Mg-H in GaN. The complexes exhibit a different microscopic structure, which is discussed in detail. The isoelectronic impurity nitrogen, complexed with one hydrogen atom, is investigated in detail in GaAs and GaP. Those complexes can exist in different charge states. The experimental results such as vibrational frequencies, the microscopic structure and the activation energy for reorientation for many of these complexes are in very good agreement with results of ab initio calculations. Different types of oxygen-hydrogen complexes in GaAs and GaP are described, with one hydrogen atom or two hydrogen atoms bonded to oxygen. Three of these complexes in GaAs were found to be electrically active.

Electrothermal atomisation atomic absorption conditions and matrix modifications for determining antimony, arsenic, bismuth, cadmium, gallium, gold, indium, lead, molybdenum, palladium, platinum, selenium, silver, tellurium, thallium and tin following back-extraction of organic aminohalide extracts

USGS Publications Warehouse

Clark, J.R.

1986-01-01

A multi-element organic-extraction and back-extraction procedure, that had been developed previously to eliminate matrix interferences in the determination of a large number of trace elements in complex materials such as geological samples, produced organic and aqueous solutions that were complex. Electrothermal atomisation atomic absorption conditions and matrix modifications have been developed for 13 of the extracted elements (Ag, As, Au, Bi, Cd, Ga, In, Pb, Sb, Se, Sn, Te and Tl) that enhance sensitivity, alleviate problems resulting from the complex solutions and produce acceptable precision. Platinum, Pd and Mo can be determined without matrix modification directly on the original unstripped extracts.

Selenium and arsenic in the environment in Finland.

PubMed

Lahermo, P; Alfthan, G; Wang, D

1998-01-01

A characteristic feature of glaciated Precambrian environments is their low selenium content, as a chalcophile element, Se, replaces sulfur in many of the sulfide minerals, for example, pyrite, chalcopyrite, pyrrhotite, and pentlandite. The average Se concentration in rocks and related till deposits in Finland is in the range of 0.01 to 0.2 mg/kg. Due to geological conditions, Se concentrations in surface and ground water are low in Finland compared with other countries. In a nationwide study dealing with the hydrogeochemistry of headwater streams, the median Se concentration in streams during August to September 1990 was 30 to 180 microg/L. For comparison, Se concentrations in shallow well waters are generally in the range of 50 to 1000 microg/L. The Se concentrations in stream sediments varied from 0.03 to 3.94 mg/kg. There was a highly significant correlation between the Se concentrations in stream water and in stream sediment. The streams with Se concentrations exceeding the general level in both water and sediment were most common in southern Finland. A speciation study on Finnish stream waters revealed that there were equal proportions of Se complexed with humic substances (36%) and Se as a selenate species (36%), whereas selenite accounted for less than 10% of total Se. About 8% of the Se in stream water occurred in particulate form. In an effort to enhance the Se intake of Finns through diet, Se-supplemented fertilizers have been used nationwide since 1985. While greatly improving Se levels in the population, the measure has raised concerns about undesirable environmental effects. Therefore, the amount of Se added to fertilizers has been reduced since 1991. Differing in behavior from Se, arsenic is considered one of the most toxic metals derived from the natural environment. Alarm has been triggered in Finland by the recent lowering from 50 microg/L to 10 microg/L of the upper level of As permissible in potable water, the recent information of high As concentrations in water from drilled bedrock wells, and the findings of international medical studies suggesting that As is a carcinogen. The most important source of As is arsenopyrite (FeAsS). Hence, high As concentrations most frequently occur in areas of sulfide mineralization, often in connection with occurrences of mafic rocks such as gabbros, amphibolites, and peridotites. The As concentrations in till fines, the most common glaciogenic soil type in Finland, reflect those in bedrock. The concentrations in groundwater are controlled by the chemical composition of the bedrock and the soil and prevailing hydrogeochemical conditions, for example, pH and Eh levels. Arsenic concentrations are lowest in surface water and swiftly flowing shallow ground water discharged by springs and are somewhat higher in shallow wells dug into overburden. By far, the highest As concentrations are to be found in wells drilled into bedrock (maximum 1 to 2 mg/L), although the concentrations vary by several orders of magnitude from well to well. The highest probability of encountering deleteriously arsenious well water is in areas with characteristic As anomalies in the till and bedrock. Hence, it is important to understand local geological conditions, particularly in the case of wells drilled into bedrock. The risk of deleteriously high As concentrations occurring in captured springs and shallow wells is slight.

Portfolio of qualifications: a tool for evaluating academic productivity at the Karolinska Institutet.

PubMed

Dahllöf, G; Ekstrand, J; Nordenström, J

1999-02-01

A Portfolio of Qualifications for academic appointments at the Karolinska Institutet has been developed to define more clearly the competence and qualifications which are given high priority for academic appointments at the Karolinska Institutet. The major fields of application are for new appointments and promotions, providing guidelines for the individual for improving his/her proficiency, and as a basis for determining individual salary rates. Four portfolios have been developed, a pedagogical, a clinical, a scientific, and a leadership, development and workplace relations portfolio. Attached to the portfolios are assessment forms. We consider the Qualifications Portfolio to be a reflection of changes in attitudes and values at the Karolinska Institutet. The system offers a method for the recognition of faculty productivity in different dimensions. This may be beneficial for the university in view of the increasing diversity and complexity of academic institutions. The Qualifications portfolio can be obtained from the world wide web, http:/(/)www.ki.se/ki/merit.se.html (in Swedish), http:/(/)www.ki.se/ki/merit.html (in English).

Ultrasound-assisted ionic liquid dispersive liquid-liquid microextraction combined with graphite furnace atomic absorption spectrometric for selenium speciation in foods and beverages.

PubMed

Tuzen, Mustafa; Pekiner, Ozlem Zeynep

2015-12-01

A rapid and environmentally friendly ultrasound assisted ionic liquid dispersive liquid liquid microextraction (USA-IL-DLLME) was developed for the speciation of inorganic selenium in beverages and total selenium in food samples by using graphite furnace atomic absorption spectrometry. Some analytical parameters including pH, amount of complexing agent, extraction time, volume of ionic liquid, sample volume, etc. were optimized. Matrix effects were also investigated. Enhancement factor (EF) and limit of detection (LOD) for Se(IV) were found to be 150 and 12 ng L(-1), respectively. The relative standard deviation (RSD) was found 4.2%. The accuracy of the method was confirmed with analysis of LGC 6010 Hard drinking water and NIST SRM 1573a Tomato leaves standard reference materials. Optimized method was applied to ice tea, soda and mineral water for the speciation of Se(IV) and Se(VI) and some food samples including beer, cow's milk, red wine, mixed fruit juice, date, apple, orange, grapefruit, egg and honey for the determination of total selenium. Copyright © 2015 Elsevier Ltd. All rights reserved.

Target Tracking Using SePDAF under Ambiguous Angles for Distributed Array Radar

PubMed Central

Long, Teng; Zhang, Honggang; Zeng, Tao; Chen, Xinliang; Liu, Quanhua; Zheng, Le

2016-01-01

Distributed array radar can improve radar detection capability and measurement accuracy. However, it will suffer cyclic ambiguity in its angle estimates according to the spatial Nyquist sampling theorem since the large sparse array is undersampling. Consequently, the state estimation accuracy and track validity probability degrades when the ambiguous angles are directly used for target tracking. This paper proposes a second probability data association filter (SePDAF)-based tracking method for distributed array radar. Firstly, the target motion model and radar measurement model is built. Secondly, the fusion result of each radar’s estimation is employed to the extended Kalman filter (EKF) to finish the first filtering. Thirdly, taking this result as prior knowledge, and associating with the array-processed ambiguous angles, the SePDAF is applied to accomplish the second filtering, and then achieving a high accuracy and stable trajectory with relatively low computational complexity. Moreover, the azimuth filtering accuracy will be promoted dramatically and the position filtering accuracy will also improve. Finally, simulations illustrate the effectiveness of the proposed method. PMID:27618058

Composition control and localization of S2- in CdSSe quantum dots grown from Li4[Cd10Se4(SPh)16].

PubMed

Lovingood, Derek D; Oyler, Ryan E; Strouse, Geoffrey F

2008-12-17

The development of ternary nanoscale materials with controlled cross-sectional doping is an important step for the use of chemically prepared quantum dots for nanoscale engineering applications. We report cross-sectional, elemental doping with the formation of an alloyed CdSSe nanocrystal from the thermal decomposition of Li(4)[Cd(10)Se(4)(SPh)(16)]. The sulfur incorporation arises from surface-mediated phenylthiolate degradation on the growing quantum dot surface. In the alloy, we identify a pure CdSe nucleus of approximately 1.5 nm, consistent with the predictions of nucleation theory. As the particle grows, S(2-) incorporation increases until the CdSSe reaches approximately 4 nm, where a marked reduction in phenylthiolate content on the nanocrystal is observed by CP-MAS NMR spectroscopy, implying that rapid decomposition of the phenylthiolate arises with subsequent enhanced S(2-) incorporation at the level of the stoichiometry of the reaction (namely approximately 60%). The use of molecular clusters to allow controlled defect ion incorporation can open new pathways to more complex nanomaterials.

Morphometry of Hilar Ectopic Granule Cells in the Rat

PubMed Central

Pierce, Joseph P.; McCloskey, Daniel P.; Scharfman, Helen E.

2014-01-01

Granule cell (GC) neurogenesis in the dentate gyrus (DG) does not always proceed normally. After severe seizures (e.g., status epilepticus [SE]) and some other conditions, newborn GCs appear in the hilus. Hilar ectopic GCs (EGCs) can potentially provide insight into the effects of abnormal location and seizures on GC development. Additionally, hilar EGCs that develop after SE may contribute to epileptogenesis and cognitive impairments that follow SE. Thus, it is critical to understand how EGCs differ from normal GCs. Relatively little morphometric information is available on EGCs, especially those restricted to the hilus. This study quantitatively analyzed the structural morphology of hilar EGCs from adult male rats several months after pilocarpineinduced SE, when they are considered to have chronic epilepsy. Hilar EGCs were physiologically identified in slices, intracellularly labeled, processed for light microscopic reconstruction, and compared to GC layer GCs, from both the same post-SE tissue and the NeuroMorpho database (normal GCs). Consistently, hilar EGC and GC layer GCs had similar dendritic lengths and field sizes, and identifiable apical dendrites. However, hilar EGC dendrites were topologically more complex, with more branch points and tortuous dendritic paths. Three-dimensional analysis revealed that, remarkably, hilar EGC dendrites often extended along the longitudinal DG axis, suggesting increased capacity for septotemporal integration. Axonal reconstruction demonstrated that hilar EGCs contributed to mossy fiber sprouting. This combination of preserved and aberrant morphological features, potentially supporting convergent afferent input to EGCs and broad, divergent efferent output, could help explain why the hilar EGC population could impair DG function. PMID:21344409

Genetic variability in the tumor necrosis factor-lymphotoxin region influences susceptibility to rheumatoid arthritis

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

Mulcahy, B.; Waldron-Lynch, F.; Adams, C.

The major histocompatibility complex class H1 tumor necrosis factor-tymphotoxin (TNF-LT) region (6p21.3) was investigated as a possible susceptibility locus for rheumatoid arthritis (RA). Inheritance of five TNF microsatellite markers was determined in 50 multiplex families. Overall, 47 different haplotypes were observed. One of these, the TNF a6, b5, c1, d3, e3 (H1) haplotype, was present in 35.3% of affected, but in only 20.5% of unaffected, individuals (P < .005). This haplotype accounted for 21.5% of the parental haplotypes transmitted to affected offspring and only 7.3 % not transmitted to affected offspring (P = .0003). The TNF a6 and TNF c1more » alleles were individually associated with RA (P = .0005 and .0008, respectively), as were the HLA-DRB1 {open_quotes}shared epitope{close_quotes} (SE) (P = .0001) and HLA-DRB1*0401 (P = .0018). Both univariate and bivariate conditional logistic regression analysis showed significant effects of TNF c1 and SE in increasing risk to RA (P < .001). Stratification by the presence of SE indicated an independent effect of the TNFc1 allele (P = .0003) and the HLA A1, BS, DR3 extended haplotype (always TNFa2, b3, c1, d1, e3) (P = .0027) in SE heterozygotes, while the H1 haplotype was associated with RA in SE homozygotes (P = .0018). The TNF-LT region appears to influence susceptibility to RA, distinct from HLA-DR. 50 refs., 1 fig., 1 tab.« less

Copper Vacancies and Heavy Holes in the Two-Dimensional Semiconductor KCu 3–xSe 2

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

Rettie, Alexander J. E.; Sturza, Mihai; Malliakas, Christos D.

The two-dimensional material KCu 3–xSe 2 was synthesized using both a K 2Se 3 flux and directly from the elements. It crystallizes in the CsAg 3S 2 structure (monoclinic space group C2/m with a = 15.417(3) Å, b = 4.0742(8) Å, c = 8.3190(17) Å, and β = 112.94(3)°), and single-crystal refinement revealed infinite copper-deficient [Cu 3–xSe 2]– layers separated by K + ions. Thermal analysis indicated that KCu 3–xSe 2 melts congruently at ~755 °C. UV–vis spectroscopy showed an optical band gap of ~1.35 eV that is direct in nature, as confirmed by electronic structure calculations. Electronic transport measurementsmore » on single crystals yielded an in-plane resistivity of ~6 × 10 –1 Ω cm at 300 K that has a complex temperature dependence. The results of Seebeck coefficient measurements were consistent with a doped p-type semiconductor (S = +214 μV K –1 at 300 K), with doping being attributed to copper vacancies. Transport is dominated by low-mobility (on the order of 1 cm 2 V –1 s –1) holes caused by relatively flat valence bands with substantial Cu 3d character and a significant concentration of Cu ion vacancy defects (p ~ 10 19 cm –3) in this material. In conclusion, electronic band structure calculations showed that electrons should be significantly more mobile in this structure type.« less

After-hour Versus Daytime Shifts in Non-Operating Room Anesthesia Environments: National Distribution of Case Volume, Patient Characteristics, and Procedures.

PubMed

Gabriel, Rodney A; Burton, Brittany N; Tsai, Mitchell H; Ehrenfeld, Jesse M; Dutton, Richard P; Urman, Richard D

2017-09-01

The objective of this study was to characterize workload during all hours of the day in the non-operating room anesthesia (NORA) environment and identify what type of patients and procedures were more likely to occur during after-hours. By investigating data from the National Anesthesia Clinical Outcomes Registry, we characterized the total number of ongoing NORA cases per hour of the day (0 - 23 h). Results were presented as the mean hour and standard error (SE). Multivariable logistic regression was applied to assess the association of various patient, procedural, and facility characteristics with time of day (after-hours = 17:01-06:59 local time versus day-time). Included in this analysis, there were a total of 4,948,634 cases performed on non-holiday weekdays. The mean hour for ongoing cases for gastroenterology, cardiac, radiology and "other" were: 10.8 with standard error (SE) of 0.002, 11.5 (SE of 0.005), 11.2 (SE of 0.005), and 10.8 (SE of 0.002), respectively. Pairwise differences between means for each NORA specialty were all statistically significant (p < 0.0001). During after-hour shifts (4.3% of cases), patients with higher American Society of Anesthesiologists physical status classification scores had increased odds for undergoing a NORA procedure, while procedures that were more physiologically complex had decreased odds. With the increasing demand for NORA services, it is prudent that we fully understand the challenges of providing safe and efficient anesthetic services particularly in locations where fewer resources are available.

Copper Vacancies and Heavy Holes in the Two-Dimensional Semiconductor KCu 3–xSe 2

DOE PAGES

Rettie, Alexander J. E.; Sturza, Mihai; Malliakas, Christos D.; ...

2017-06-21

The two-dimensional material KCu 3–xSe 2 was synthesized using both a K 2Se 3 flux and directly from the elements. It crystallizes in the CsAg 3S 2 structure (monoclinic space group C2/m with a = 15.417(3) Å, b = 4.0742(8) Å, c = 8.3190(17) Å, and β = 112.94(3)°), and single-crystal refinement revealed infinite copper-deficient [Cu 3–xSe 2]– layers separated by K + ions. Thermal analysis indicated that KCu 3–xSe 2 melts congruently at ~755 °C. UV–vis spectroscopy showed an optical band gap of ~1.35 eV that is direct in nature, as confirmed by electronic structure calculations. Electronic transport measurementsmore » on single crystals yielded an in-plane resistivity of ~6 × 10 –1 Ω cm at 300 K that has a complex temperature dependence. The results of Seebeck coefficient measurements were consistent with a doped p-type semiconductor (S = +214 μV K –1 at 300 K), with doping being attributed to copper vacancies. Transport is dominated by low-mobility (on the order of 1 cm 2 V –1 s –1) holes caused by relatively flat valence bands with substantial Cu 3d character and a significant concentration of Cu ion vacancy defects (p ~ 10 19 cm –3) in this material. In conclusion, electronic band structure calculations showed that electrons should be significantly more mobile in this structure type.« less

4th European Seminars in Virology on Oncogenic and Oncolytic Viruses, in Bertinoro (Bologna), Italy.

PubMed

Reale, Alberto; Messa, Lorenzo; Vitiello, Adriana; Loregian, Arianna; Palù, Giorgio

2017-10-01

The 4th European Seminars in Virology (EuSeV), which was focused on oncogenic and oncolytic viruses, was held in Bertinoro (Bologna), Italy, from June 10 to 12, 2016. This article summarizes the plenary lectures and aims to illustrate the main topics discussed at 4th EuSeV, which brought together knowledge and expertise in the field of oncogenic and oncolytic viruses from all over the world. The meeting was divided in two parts, "Mechanisms of Viral Oncogenesis" and "Viral Oncolysis and Immunotherapy," which were both focused on dissecting the complex and multi-factorial interplay between cancer and human viruses and on exploring new anti-cancer strategies. J. Cell. Physiol. 232: 2641-2648, 2017. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Non-transmissible Sendai virus vector encoding c-myc suppressor FBP-interacting repressor for cancer therapy

PubMed Central

Matsushita, Kazuyuki; Shimada, Hideaki; Ueda, Yasuji; Inoue, Makoto; Hasegawa, Mamoru; Tomonaga, Takeshi; Matsubara, Hisahiro; Nomura, Fumio

2014-01-01

AIM: To investigate a novel therapeutic strategy to target and suppress c-myc in human cancers using far up stream element (FUSE)-binding protein-interacting repressor (FIR). METHODS: Endogenous c-Myc suppression and apoptosis induction by a transient FIR-expressing vector was examined in vivo via a HA-tagged FIR (HA-FIR) expression vector. A fusion gene-deficient, non-transmissible, Sendai virus (SeV) vector encoding FIR cDNA, SeV/dF/FIR, was prepared. SeV/dF/FIR was examined for its gene transduction efficiency, viral dose dependency of antitumor effect and apoptosis induction in HeLa (cervical squamous cell carcinoma) cells and SW480 (colon adenocarcinoma) cells. Antitumor efficacy in a mouse xenograft model was also examined. The molecular mechanism of the anti-tumor effect and c-Myc suppression by SeV/dF/FIR was examined using Spliceostatin A (SSA), a SAP155 inhibitor, or SAP155 siRNA which induce c-Myc by increasing FIR∆exon2 in HeLa cells. RESULTS: FIR was found to repress c-myc transcription and in turn the overexpression of FIR drove apoptosis through c-myc suppression. Thus, FIR expressing vectors are potentially applicable for cancer therapy. FIR is alternatively spliced by SAP155 in cancer cells lacking the transcriptional repression domain within exon 2 (FIR∆exon2), counteracting FIR for c-Myc protein expression. Furthermore, FIR forms a complex with SAP155 and inhibits mutual well-established functions. Thus, both the valuable effects and side effects of exogenous FIR stimuli should be tested for future clinical application. SeV/dF/FIR, a cytoplasmic RNA virus, was successfully prepared and showed highly efficient gene transduction in in vivo experiments. Furthermore, in nude mouse tumor xenograft models, SeV/dF/FIR displayed high antitumor efficiency against human cancer cells. SeV/dF/FIR suppressed SSA-activated c-Myc. SAP155 siRNA, potentially produces FIR∆exon2, and led to c-Myc overexpression with phosphorylation at Ser62. HA-FIR suppressed endogenous c-Myc expression and induced apoptosis in HeLa and SW480 cells. A c-myc transcriptional suppressor FIR expressing SeV/dF/FIR showed high gene transduction efficiency with significant antitumor effects and apoptosis induction in HeLa and SW480 cells. CONCLUSION: SeV/dF/FIR showed strong tumor growth suppression with no significant side effects in an animal xenograft model, thus SeV/dF/FIR is potentially applicable for future clinical cancer treatment. PMID:24764668

Evolution of an RNP assembly system: A minimal SMN complex facilitates formation of UsnRNPs in Drosophila melanogaster

PubMed Central

Kroiss, Matthias; Schultz, Jörg; Wiesner, Julia; Chari, Ashwin; Sickmann, Albert; Fischer, Utz

2008-01-01

In vertebrates, assembly of spliceosomal uridine-rich small nuclear ribonucleoproteins (UsnRNPs) is mediated by the SMN complex, a macromolecular entity composed of the proteins SMN and Gemins 2–8. Here we have studied the evolution of this machinery using complete genome assemblies of multiple model organisms. The SMN complex has gained complexity in evolution by a blockwise addition of Gemins onto an ancestral core complex composed of SMN and Gemin2. In contrast to this overall evolutionary trend to more complexity in metazoans, orthologs of most Gemins are missing in dipterans. In accordance with these bioinformatic data a previously undescribed biochemical purification strategy elucidated that the dipteran Drosophila melanogaster contains an SMN complex of remarkable simplicity. Surprisingly, this minimal complex not only mediates the assembly reaction in a manner very similar to its vertebrate counterpart, but also prevents misassembly onto nontarget RNAs. Our data suggest that only a minority of Gemins are required for the assembly reaction per se, whereas others may serve additional functions in the context of UsnRNP biogenesis. The evolution of the SMN complex is an interesting example of how the simplification of a biochemical process contributes to genome compaction. PMID:18621711

Metastable Se6 as a ligand for Ag+: from isolated molecular to polymeric 1D and 2D structures.

PubMed

Aris, Damian; Beck, Johannes; Decken, Andreas; Dionne, Isabelle; Schmedt auf der Günne, Jörn; Hoffbauer, Wilfried; Köchner, Tobias; Krossing, Ingo; Passmore, Jack; Rivard, Eric; Steden, Folker; Wang, Xinping

2011-06-14

Attempts to prepare the hitherto unknown Se(6)(2+) cation by the reaction of elemental selenium and Ag[A] ([A](-) = [Sb(OTeF(5))(6)](-), [Al(OC(CF(3))(3))(4)](-)) in SO(2) led to the formation of [(OSO)Ag(Se(6))Ag(OSO)][Sb(OTeF(5))(6)](2)1 and [(OSO)(2)Ag(Se(6))Ag(OSO)(2)][Al(OC(CF(3))(3))(4)](2)2a. 1 could only be prepared by using bromine as co-oxidant, however, bulk 2b (2a with loss of SO(2)) was accessible from Ag[Al(OC(CF(3))(3))(4)] and grey Se in SO(2) (chem. analysis). The reactions of Ag[MF(6)] (M = As, Sb) and elemental selenium led to crystals of 1/∞{[Ag(Se(6))](∞)[Ag(2)(SbF(6))(3)](∞)} 3 and {1/∞[Ag(Se(6))Ag](∞)}[AsF(6)](2)4. Pure bulk 4 was best prepared by the reaction of Se(4)[AsF(6)](2), silver metal and elemental selenium. Attempts to prepare bulk 1 and 3 were unsuccessful. 1-4 were characterized by single-crystal X-ray structure determinations, 2b and 4 additionally by chemical analysis and 4 also by X-ray powder diffraction, FT-Raman and FT-IR spectroscopy. Application of the PRESTO III sequence allowed for the first time (109)Ag MAS NMR investigations of 4 as well as AgF, AgF(2), AgMF(6) and {1/∞[Ag(I(2))](∞)}[MF(6)] (M = As, Sb). Compounds 1 and 2a/b, with the very large counter ions, contain isolated [Ag(Se(6))Ag](2+) heterocubane units consisting of a Se(6) molecule bicapped by two silver cations (local D(3d) sym). 3 and 4, with the smaller anions, contain close packed stacked arrays of Se(6) rings with Ag(+) residing in octahedral holes. Each Ag(+) ion coordinates to three selenium atoms of each adjacent Se(6) ring. 4 contains [Ag(Se(6))(+)](∞) stacks additionally linked by Ag(2)(+) into a two dimensional network. 3 features a remarkable 3-dimensional [Ag(2)(SbF(6))(3)](-) anion held together by strong Sb-FAg contacts between the component Ag(+) and [SbF(6)](-) ions. The hexagonal channels formed by the [Ag(2)(SbF(6))(3)](-) anions are filled by stacks of [Ag(Se(6))(+)](∞) cations. Overall 1-4 are new members of the rare class of metal complexes of neutral main group elemental clusters, in which the main group element is positively polarized due to coordination to a metal ion. Notably, 1 to 4 include the commonly metastable Se(6) molecule as a ligand. The structure, bonding and thermodynamics of 1 to 4 were investigated with the help of quantum chemical calculations (PBE0/TZVPP and (RI-)MP2/TZVPP, in part including COSMO solvation) and Born-Fajans-Haber-cycle calculations. From an analysis of all the available data it appears that the formation of the usually metastable Se(6) molecule from grey selenium is thermodynamically driven by the coordination to the Ag(+) ions.

Feedbacks Between Shallow Groundwater Dynamics and Surface Topography on Runoff Generation in Flat Fields

NASA Astrophysics Data System (ADS)

Appels, Willemijn M.; Bogaart, Patrick W.; van der Zee, Sjoerd E. A. T. M.

2017-12-01

In winter, saturation excess (SE) ponding is observed regularly in temperate lowland regions. Surface runoff dynamics are controlled by small topographical features that are unaccounted for in hydrological models. To better understand storage and routing effects of small-scale topography and their interaction with shallow groundwater under SE conditions, we developed a model of reduced complexity to investigate SE runoff generation, emphasizing feedbacks between shallow groundwater dynamics and mesotopography. The dynamic specific yield affected unsaturated zone water storage, causing rapid switches between negative and positive head and a flatter groundwater mound than predicted by analytical agrohydrological models. Accordingly, saturated areas were larger and local groundwater fluxes smaller than predicted, leading to surface runoff generation. Mesotopographic features routed water over larger distances, providing a feedback mechanism that amplified changes to the shape of the groundwater mound. This in turn enhanced runoff generation, but whether it also resulted in runoff events depended on the geometry and location of the depressions. Whereas conditions favorable to runoff generation may abound during winter, these feedbacks profoundly reduce the predictability of SE runoff: statistically identical rainfall series may result in completely different runoff generation. The model results indicate that waterlogged areas in any given rainfall event are larger than those predicted by current analytical groundwater models used for drainage design. This change in the groundwater mound extent has implications for crop growth and damage assessments.

Effects of surface and interface traps on exciton and multi-exciton dynamics in core/shell quantum dots

NASA Astrophysics Data System (ADS)

Bozio, Renato; Righetto, Marcello; Minotto, Alessandro

2017-08-01

Exciton interactions and dynamics are the most important factors determining the exceptional photophysical properties of semiconductor quantum dots (QDs). In particular, best performances have been obtained for ingeniously engineered core/shell QDs. We have studied two factors entering in the exciton decay dynamics with adverse effects for the luminescence efficiency: exciton trapping at surface and interface traps, and non-radiative Auger recombination in QDs carrying either net charges or multiple excitons. In this work, we present a detailed study into the optical absorption, fluorescence dynamics and quantum yield, as well as ultrafast transient absorption properties of CdSe/CdS, CdSe/Cd0.5Zn0.5S, and CdSe/ZnS QDs as a function of shell thickness. It turns out that de-trapping processes play a pivotal role in determining steady state emission properties. By studying the excitation dependent photoluminescence quantum yields (PLQY) in different CdSe/CdxZn1-xS (x = 0, 0.5, 1) QDs, we demonstrate the different role played by hot and cold carrier trapping rates in determining fluorescence quantum yields. Finally, the use of global analysis allows us untangling the complex ultrafast transient absorption signals. Smoothing of interface potential, together with effective surface passivation, appear to be crucial factors in slowing down both Auger-based and exciton trapping recombination processes.

Surface functionalization of two-dimensional metal chalcogenides by Lewis acid-base chemistry

NASA Astrophysics Data System (ADS)

Lei, Sidong; Wang, Xifan; Li, Bo; Kang, Jiahao; He, Yongmin; George, Antony; Ge, Liehui; Gong, Yongji; Dong, Pei; Jin, Zehua; Brunetto, Gustavo; Chen, Weibing; Lin, Zuan-Tao; Baines, Robert; Galvão, Douglas S.; Lou, Jun; Barrera, Enrique; Banerjee, Kaustav; Vajtai, Robert; Ajayan, Pulickel

2016-05-01

Precise control of the electronic surface states of two-dimensional (2D) materials could improve their versatility and widen their applicability in electronics and sensing. To this end, chemical surface functionalization has been used to adjust the electronic properties of 2D materials. So far, however, chemical functionalization has relied on lattice defects and physisorption methods that inevitably modify the topological characteristics of the atomic layers. Here we make use of the lone pair electrons found in most of 2D metal chalcogenides and report a functionalization method via a Lewis acid-base reaction that does not alter the host structure. Atomic layers of n-type InSe react with Ti4+ to form planar p-type [Ti4+n(InSe)] coordination complexes. Using this strategy, we fabricate planar p-n junctions on 2D InSe with improved rectification and photovoltaic properties, without requiring heterostructure growth procedures or device fabrication processes. We also show that this functionalization approach works with other Lewis acids (such as B3+, Al3+ and Sn4+) and can be applied to other 2D materials (for example MoS2, MoSe2). Finally, we show that it is possible to use Lewis acid-base chemistry as a bridge to connect molecules to 2D atomic layers and fabricate a proof-of-principle dye-sensitized photosensing device.

Simultaneous Speciation of Arsenic, Selenium, and Chromium by HPLC-ICP-MS

USGS Publications Warehouse

Wolf, Ruth E.; Morman, Suzette A.; Morrison, Jean M.; Lamothe, Paul J.

2008-01-01

An adaptation of an analytical method developed for chromium speciation has been utilized for the simultaneous determination of As(III), As(V), Se(IV), Se(VI), Cr(III), and Cr(VI) species using high performance liquid chromatography (HPLC) separation with ICP-MS detection. Reduction of interferences for the determination of As, Se, and Cr by ICP-MS is a major consideration for this method. Toward this end, a Dynamic Reaction Cell (DRC) ICP-MS system was used to detect the species eluted from the chromatographic column. A variety of reaction cell gases and conditions may be utilized, and the advantages and limitations of the gases tested to date will be presented and discussed. The separation and detection of the As, Se, and Cr species of interest can be achieved using the same chromatographic conditions in less than 2 minutes by complexing the Cr(III) with EDTA prior to injection on the HPLC column. Practical aspects of simultaneous speciation analysis will be presented and discussed, including issues with HPLC sample vial contamination, standard and sample contamination, species stability, and considerations regarding sample collection and preservation methods. The results of testing to determine the method's robustness to common concomitant element and anion effects will also be discussed. Finally, results will be presented using the method for the analysis of a variety of environmental and geological samples including waters, soil leachates and simulated bio-fluid leachates.

Syntactic and Prosodic Computations in the Resolution of Relative Clause Attachment Ambiguity by English-French Learners

ERIC Educational Resources Information Center

Dekydtspotter, Laurent; Donaldson, Bryan; Edmonds, Amanda C.; Fultz, Audrey Liljestrand; Petrush, Rebecca A.

2008-01-01

This study investigates the manner in which syntax, prosody, and context interact when second- and fourth-semester college-level English-French learners process relative clause (RC) attachment to either the first noun phrase (NP1) or the second noun phrase (NP2) in complex nominal expressions such as "le secretaire du psychologue qui se promene"…

Sialic acid (SA)-modified selenium nanoparticles coated with a high blood-brain barrier permeability peptide-B6 peptide for potential use in Alzheimer's disease.

PubMed

Yin, Tiantian; Yang, Licong; Liu, Yanan; Zhou, Xianbo; Sun, Jing; Liu, Jie

2015-10-01

The blood-brain barrier (BBB) is a formidable gatekeeper toward exogenous substances, playing an important role in brain homeostasis and maintaining a healthy microenvironment for complex neuronal activities. However, it also greatly hinders drug permeability into the brain and limits the management of brain diseases. The development of new drugs that show improved transport across the BBB represents a promising strategy for Alzheimer's disease (AD) intervention. Whereas, previous study of receptor-mediated endogenous BBB transport systems has focused on a strategy of using transferrin to facilitate brain drug delivery system, a system that still suffers from limitations including synthesis procedure, stability and immunological response. In the present study, we synthetised sialic acid (SA)-modified selenium (Se) nanoparticles conjugated with an alternative peptide-B6 peptide (B6-SA-SeNPs, a synthetic selenoprotein analogue), which shows high permeability across the BBB and has the potential to serve as a novel nanomedicine for disease modification in AD. Laser-scanning confocal microscopy, flow cytometry analysis and inductively coupled plasma-atomic emission spectroscopy ICP-AES revealed high cellular uptake of B6-SA-SeNPs by cerebral endothelial cells (bEnd.3). The transport efficiency of B6-SA-SeNPs was evaluated in a Transwell experiment based on in vitro BBB model. It provided direct evidence for B6-SA-SeNPs crossing the BBB and being absorbed by PC12 cells. Moreover, inhibitory effects of B6-SA-SeNPs on amyloid-β peptide (Aβ) fibrillation could be demonstrated in PC12 cells and bEnd3 cells. B6-SA-SeNPs could not only effectively inhibit Aβ aggregation but could disaggregate preformed Aβ fibrils into non-toxic amorphous oligomers. These results suggested that B6-SA-SeNPs may provide a promising platform, particularly for the application of nanoparticles in the treatment of brain diseases. Alzheimer's disease (AD) is the world's most common form of dementia characterized by intracellular neurofibrillary tangles in the brain. Over the past decades, the blood-brain barrier (BBB) limits access of therapeutic or diagnostic agents into the brain, which greatly hinders the development of new drugs for treating AD. In this work, we evaluated the efficiency of B6-SA-SeNPs across BBB and investigated the interactions between B6-SA-SeNPs and amyloid-β peptide (Aβ). We confirm that B6-SA-SeNPs could provide a promising platform because of its high brain delivery efficiency, anti-amyloid properties and anti-oxidant properties, which may serve as a novel nanomedicine for the application in the treatment of brain diseases. Copyright © 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Tectonic evolution of kid metamorphic complex and the recognition of Najd fault system in South East Sinai, Egypt

NASA Astrophysics Data System (ADS)

Sultan, Yasser M.; El-Shafei, Mohamed K.; Arnous, Mohamed O.

2017-03-01

A low-to medium-grade metamorphic belt of a volcano-sedimentary succession occurs in the eastern side of South Sinai as a part of the northernmost extension of the Arabian-Nubian Shield in Egypt. The belt is known as the Kid metamorphic complex. It is considered as one of the major belt among the other exposed metamorphic belts in South Sinai. Here, we detect and investigate the signature of the Najd Fault system in South Sinai based on detailed structural analysis in field and digital image processing. The enhanced satellite image and the geo-spatial distributions confirm that the Kid belt is essentially composed of nine Precambrian units. Field relations and geometrical analysis of the measured structural data revealed that the study area underwent four successive deformational phases (D1-D4). D1 is an upright tight to isoclinal large-scale folds that caused few F1 small-scale folds and a steeply dipping S1 axial plane foliation. The second deformational event D2 produced dominant of sub-horizontal S2 foliation planes accompanied with recumbent isoclinal folds and NW-SE trending L2 lineations. The main sense during D2 was top-to-the-NW with local reversals to the SE. The third folding generations F3 is recorded as axial plane S3-surfaces and is characterized by open concentric folding that overprinting both F1 and F2 folds and has a flexural-slip mechanism. F3 fold hinges plunge to the west-northwest or east-southeast indicate north-northeast-south-southwest shortening during D3. The fourth deformational event D4 is characterized by NE plunging open concentric folding overprint the pre-existing fold generations and formed under flexural slip mechanism reflecting coaxial deformation and indicating change in the stress regime as a result of the change in shortening from NE-SW to NW-SE. This phase is probably accompanied with the final assembly of east and west Gondwana. The dextral NW-SE shear zone that bounded the southwestern portion of the metamorphic belt is probably related to reactivation of the Najd fault system during Oligo-Miocene in South Sinai.

Strike-slip linked core complexes: A new kinematic model of basement rock exhumation in a crustal-scale fault system

NASA Astrophysics Data System (ADS)

Meyer, Sven Erik; Passchier, Cees; Abu-Alam, Tamer; Stüwe, Kurt

2014-05-01

Metamorphic core complexes usually develop as extensional features during continental crustal thinning, such as the Basin and Range and the Aegean Terrane. The Najd fault system in Saudi Arabia is a 2000 km-long and 400 km-wide complex network of crustal-scale strike-slip shear zones in a Neoproterozoic collision zone. Locally, the anastomosing shear zones lead to exhumation of lower crustal segments and represent a new kinematic model for the development of core complexes. We report on two such structures: the Qazaz complex in Saudi Arabia and the Hafafit complex in Egypt. The 15 km-wide Qazaz complex is a triangular dome of gently dipping mylonitic foliations within the 140 km-long sinistral strike-slip Qazaz mylonite zone. The gneissic dome consists of high-grade rocks, surrounded by low-grade metasediments and metavolcanics. The main SE-trending strike-slip Qazaz shear zone splits southwards into two branches around the gneiss dome: the western branch is continuous with the shallow dipping mylonites of the dome core, without overprinting, and changes by more than 90 degrees from a NS-trending strike-slip zone to an EW-trending 40 degree south-dipping detachment that bounds the gneiss dome to the south. The eastern SE-trending sinistral strike-slip shear zone branch is slightly younger and transects the central dome fabrics. The gneiss dome appears to have formed along a jog in the strike-slip shear zone during 40 km of horizontal strike-slip motion, which caused local exhumation of lower crustal rocks by 25 km along the detachment. The eastern shear zone branch formed later during exhumation, transacted the gneiss dome and offset the two parts by another 70 km. The Hafafit core complex in Egypt is of similar shape and size to the Qazaz structure, but forms the northern termination of a sinistral strike-slip zone that is at least 100 km in length. This zone may continue into Saudi Arabia as the Ajjaj shear zone for another 100 km. The NW trending strike slip mylonite zone grades into a gently N-dipping detachment to the west which accommodated strike slip by exhumation of high-grade lower crustal rocks. The Qazaz and the Hafafit Domes are similar, mirror-image structures with small differences in the accommodating shear zones. It is likely that these types of strike-slip related oblique core complexes are common in the Arabian Nubian shield, and possibly elsewhere.

Programmable assembly of nanoarchitectures using genetically engineered viruses.

PubMed

Huang, Yu; Chiang, Chung-Yi; Lee, Soo Kwan; Gao, Yan; Hu, Evelyn L; De Yoreo, James; Belcher, Angela M

2005-07-01

Biological systems possess inherent molecular recognition and self-assembly capabilities and are attractive templates for constructing complex material structures with molecular precision. Here we report the assembly of various nanoachitectures including nanoparticle arrays, hetero-nanoparticle architectures, and nanowires utilizing highly engineered M13 bacteriophage as templates. The genome of M13 phage can be rationally engineered to produce viral particles with distinct substrate-specific peptides expressed on the filamentous capsid and the ends, providing a generic template for programmable assembly of complex nanostructures. Phage clones with gold-binding motifs on the capsid and streptavidin-binding motifs at one end are created and used to assemble Au and CdSe nanocrytals into ordered one-dimensional arrays and more complex geometries. Initial studies show such nanoparticle arrays can further function as templates to nucleate highly conductive nanowires that are important for addressing/interconnecting individual nanostructures.

Dietary supplementation of organic selenium could improve performance, antibody response, and yolk oxidative stability in laying hens fed on diets containing oxidized fat.

PubMed

Laika, M; Jahanian, R

2015-06-01

The present study was carried out to investigate the effect of dietary supplementation of organic selenium (Se) on performance, egg quality indices, and yolk oxidative stability in laying hens fed diets with different fat sources. A total of 270 Hy-line W-36 Leghorn hens of 47 weeks of age were randomly distributed into the 5 replicate cages of 9 dietary treatments. Experimental diets consisted of a 3 × 3 factorial arrangement of treatments with three different fat sources (soybean oil, SO; yellow grease, YG; and palm fat powder, PFP) and three different levels of supplemental Se (0, 0.2, and 0.4 mg/kg of diet) as supplied by zinc-L-selenomethionine (ZnSeMet) complex, which fed during a 77-day feeding trial including 7 days for adaptation and 70 days as the main recording period. Results showed that the highest (P < 0.05) egg weights assigned to the hens fed on SO-supplemented diets. Hen-day egg production was affected by both dietary fat source (P < 0.01) and Se level (P < 0.05) throughout the trial period. Regardless of dietary fat source, dietary supplementation of ZnSeMet improved (P < 0.05) egg mass during all trial periods. Moreover, the significant (P < 0.05) fat  source× Se interactions were observed for egg mass, so that dietary supplementation with 0.4 mg/kg Se was more effective in diets supplemented with YG. Although feed intake was not affected by experimental diets during the first 35-day period, dietary inclusion of PFP reduced feed intake during both second 35-day (P < 0.01) and entire trial period (P < 0.05). The best (P < 0.01) feed conversion ratio during the first 35-day period was assigned to the birds fed on SO-diets, followed by those fed YG-diets. Dietary supplementation of ZnSeMet improved (P < 0.05) feed efficiency during the first 35-day period. Supplementation of ZnSeMet into the diets increased yolk index, with more impact in hens fed on YG-diets. The highest concentration of yolk malondialdehyde was observed in YG-fed groups, and ZnSeMet supplementation of diets decreased (P < 0.05) yolk malondialdehyde. The highest (P<0.01) glutathione peroxidase activity was observed for hens fed on diets supplemented by YG, followed by those on SO-diets. Although different fat sources had no effect on antibody titer against Newcastle disease virus, supplemental ZnSeMet improved (P < 0.05) antibody response. The present findings indicate that dietary supplementation of ZnSeMet could improve performance parameters and egg oxidative stability in laying hens, with the highest impact in diets containing oxidized (high peroxide values) fat sources.

Forecasting selenium discharges to the San Francisco Bay-Delta Estuary: ecological effects of a proposed San Luis drain extension

USGS Publications Warehouse

Luoma, Samuel N.; Presser, Theresa S.

2000-01-01

During the next few years, federal and state agencies may be required to evaluate proposals and discharge permits that could significantly change selenium (Se) inputs to the San Francisco Bay-Delta Estuary (Bay-Delta), particularly in the North Bay (i.e., Suisun Bay and San Pablo Bay). These decisions may include discharge requirements for an extension of the San Luis Drain (SLD) to the estuary to convey subsurface agricultural drainage from the western San Joaquin Valley (SJV), a renewal of an agreement to allow the existing portion of the SLD to convey subsurface agricultural drainage to a tributary of the San Joaquin River (SJR) (coincident with changes in flow patterns of the lower SJR), and refinements to promulgated Se criteria for the protection of aquatic life for the estuary. Understanding the biotransfer of Se is essential to evaluating the fate and impact of proposed changes in Se discharges to the Bay-Delta. However, past monitoring programs have not addressed the specific protocols necessary for an element that bioaccumulates. Confusion about Se threats in the past have stemmed from failure to consider the full complexity of the processes that result in Se toxicity. Past studies show that predators are more at risk from Se contamination than their prey, making it difficult to use traditional methods to predict risk from environmental concentrations alone. In this report, we employ a novel procedure to model the fate of Se under different, potentially realistic load scenarios from the SJV. For each potential load, we progressively forecast the resulting environmental concentrations, speciation, transformation to particulate form, bioaccumulation by invertebrates, trophic transfer to predators, and effects in those predators. Enough is known to establish a first order understanding of effects should Se be discharged directly into the North Bay via a conveyance such as the SLD. Our approach uses 1) existing knowledge concerning the biogeochemical reactions of Se (e.g., speciation, partitioning between dissolved and particulate forms, and bivalve assimilation efficiency) and 2) site-specific data mainly from 1986 to 1996 on clams and bottom-feeding fish and birds. Forecasts of Se loading from oil refineries and agricultural drainage from the SJV enable the calculation of a composite freshwater endmember Se concentration at the head of the estuary and at Carquinez Strait as a foundation for modeling. Our analysis of effects also takes into account the mode of conveyance for agricultural drainage (i.e., the SLD or SJR). The effects of variable flows on a seasonal or monthly basis from the Sacramento River and SJR are also considered. The results of our forecasts for external SJV watershed sources of Se mirror predictions made since 1955 of a worsening salt (and by inference, Se) buildup exacerbated by the arid climate and irrigation for agricultural use. We show that the reservoir of Se in the SJV is sufficient to provide loading at an annual rate of approximately 42,500 pounds (lbs) of Se to a Bay-Delta disposal point for 63 to 304 years at the lower range of our projections, even if influx of Se from the California Coast Ranges could be curtailed. Disposal of wastewaters on an annual basis outside of the SJV may slow the degradation of valley resources, but drainage alone cannot alleviate the salt and Se buildup in the SJV, at least within a century. Our forecasts show the different proportions of Se loading to the Bay-Delta. Oil refinery loads from 1986 to 1992 ranged from 11 to 15 lbs Se per day; with treatment and cleanup, loads decreased to 3 lbs Se per day in 1999. In contrast, SJV agricultural drainage loads could range from of 45 to 117 lbs Se per day across a set of reasonable conditions. Components of this valley-wide load include five source subareas (i.e., Grassland, Westlands, Tulare, Kern, and Northern) based on water and drainage management. Loads vary per subarea mainly because of proximity of the s

MC2: Subaru and Hubble Space Telescope Weak-lensing Analysis of the Double Radio Relic Galaxy Cluster PLCK G287.0+32.9

NASA Astrophysics Data System (ADS)

Finner, Kyle; Jee, M. James; Golovich, Nathan; Wittman, David; Dawson, William; Gruen, Daniel; Koekemoer, Anton M.; Lemaux, Brian C.; Seitz, Stella

2017-12-01

The second most significant detection of the Planck Sunyaev‑Zel’dovich survey, PLCK G287.0+32.9 (z = 0.385), boasts two similarly bright radio relics and a radio halo. One radio relic is located ∼ 400 {kpc} NW of the X-ray peak and the other ∼ 2.8 Mpc to the SE. This large difference suggests that a complex merging scenario is required. A key missing puzzle for the merging scenario reconstruction is the underlying dark matter distribution in high resolution. We present a joint Subaru Telescope and Hubble Space Telescope weak-lensing analysis of the cluster. Our analysis shows that the mass distribution features four significant substructures. Of the substructures, a primary cluster of mass {M}200{{c}}={1.59}-0.22+0.25× {10}15 {h}70-1 {M}ȯ dominates the weak-lensing signal. This cluster is likely to be undergoing a merger with one (or more) subcluster whose mass is approximately a factor of 10 lower. One candidate is the subcluster of mass {M}200{{c}}={1.16}-0.13+0.15× {10}14 {h}70-1 {M}ȯ located ∼ 400 {kpc} to the SE. The location of this subcluster suggests that its interaction with the primary cluster could be the source of the NW radio relic. Another subcluster is detected ∼ 2 Mpc to the SE of the X-ray peak with mass {M}200{{c}}={1.68}-0.20+0.22× {10}14 {h}70-1 {M}ȯ . This SE subcluster is in the vicinity of the SE radio relic and may have created the SE radio relic during a past merger with the primary cluster. The fourth subcluster, {M}200{{c}}={1.87}-0.22+0.24× {10}14 {h}70-1 {M}ȯ , is NW of the X-ray peak and beyond the NW radio relic.

Antifungal Activity of Selenium Nanoparticles Synthesized by Bacillus species Msh-1 Against Aspergillus fumigatus and Candida albicans

PubMed Central

Shakibaie, Mojtaba; Salari Mohazab, Naser; Ayatollahi Mousavi, Seyyed Amin

2015-01-01

Background: Fungal infections affect various parts of the body and can be difficult to treat. Aspergillus infection causes a spectrum of diverse diseases particularly in lung according to host immunity. The two major entities are invasive pulmonary aspergillosis and chronic pulmonary aspergillosis. Candida infections can be superficial or invasive. Superficial infections often affect the skin or mucous membranes. However, invasive fungal infections are often life-threatening. Advances in nanotechnology have opened new horizons in nanomedicine, allowing the synthesis of nanoparticles that can be assembled into complex architectures. Novel studies and technologies are devoted to understanding the mechanisms of disease for the design of new drugs. Objectives: In the present study, the antifungal activity of biogenic selenium nanoparticles (Se NPs) against Aspergillus fumigatus and Candida albicans was investigated. Materials and Methods: Se-reducing bacteria previously identified as Bacillus sp. MSh-1 were used for the intracellular biosynthesis of elemental Se NPs. The shape, size, and purity of the extracted NPs were determined with various instrumental techniques. The nanoparticles antifungal characterization mainly derives from the following pathways: (i) to generate sustained flux of nano-ions from the compounds that deposited on special substrates or imbedded in colloidal or semisolid matrices. (ii) To transport active those ions to sensitive targets on plasma membrane of fungi. Results: The results of energy-dispersive X-ray demonstrated that the purified NPs consisted of only Se. In addition, transmission electron micrographs showed that 120- to 140-nm spherical Se NPs were the most common. An antifungal assay was performed with a standard Clinical and Laboratory Standards Institute broth microdilution method. Minimum inhibitory concentration (MIC) measurements of the antifungal activity of the Se NPs against C. albicans (70 μg/mL) and A. fumigatus (100 μg/mL) showed that yeast cells were more sensitive than mold cells. Conclusions: The MICs against A. fumigatus (100 μg/mL) and C. albicans (70 μg/mL) showed that biogenic Se NPs are useful antifungal agents. PMID:26495111

Selenium Supplementation Affects Physiological and Biochemical Processes to Improve Fodder Yield and Quality of Maize (Zea mays L.) under Water Deficit Conditions

PubMed Central

Nawaz, Fahim; Naeem, Muhammad; Ashraf, Muhammad Y.; Tahir, Muhammad N.; Zulfiqar, Bilal; Salahuddin, Muhammad; Shabbir, Rana N.; Aslam, Muhammad

2016-01-01

Climate change is one of the most complex challenges that pose serious threats to livelihoods of poor people who rely heavily on agriculture and livestock particularly in climate-sensitive developing countries of the world. The negative effects of water scarcity, due to climate change, are not limited to productivity food crops but have far-reaching consequences on livestock feed production systems. Selenium (Se) is considered essential for animal health and has also been reported to counteract various abiotic stresses in plants, however, understanding of Se regulated mechanisms for improving nutritional status of fodder crops remains elusive. We report the effects of exogenous selenium supply on physiological and biochemical processes that may influence green fodder yield and quality of maize (Zea mays L.) under drought stress conditions. The plants were grown in lysimeter tanks under natural conditions and were subjected to normal (100% field capacity) and water stress (60% field capacity) conditions. Foliar spray of Se was carried out before the start of tasseling stage (65 days after sowing) and was repeated after 1 week, whereas, water spray was used as a control. Drought stress markedly reduced the water status, pigments and green fodder yield and resulted in low forage quality in water stressed maize plants. Nevertheless, exogenous Se application at 40 mg L-1 resulted in less negative leaf water potential (41%) and enhanced relative water contents (30%), total chlorophyll (53%), carotenoid contents (60%), accumulation of total free amino acids (40%) and activities of superoxide dismutase (53%), catalase (30%), peroxidase (27%), and ascorbate peroxidase (27%) with respect to control under water deficit conditions. Consequently, Se regulated processes improved fodder yield (15%) and increased crude protein (47%), fiber (10%), nitrogen free extract (10%) and Se content (36%) but did not affect crude ash content in water stressed maize plants. We propose that Se foliar spray (40 mg L-1) is a handy, feasible and cost-effective approach to improve maize fodder yield and quality in arid and semi-arid regions of the world facing acute shortage of water. PMID:27729917

Novel electrochemical biosensor based on PVP capped CoFe2O4@CdSe core-shell nanoparticles modified electrode for ultra-trace level determination of rifampicin by square wave adsorptive stripping voltammetry.

PubMed

Asadpour-Zeynali, Karim; Mollarasouli, Fariba

2017-06-15

This work introduces a new electrochemical sensor based on polyvinyl pyrrolidone capped CoFe 2 O 4 @CdSe core-shell modified electrode for a rapid detection and highly sensitive determination of rifampicin (RIF) by square wave adsorptive stripping voltammetry. The new PVP capped CoFe 2 O 4 @CdSe with core-shell nanostructure was synthesized by a facile synthesis method for the first time. PVP can act as a capping and etching agent for protection of the outer surface nanoparticles and formation of a mesoporous shell, respectively. Another important feature of this work is the choice of the ligand (1,10-phenanthroline) for precursor cadmium complex that works as a chelating agent in order to increase optical and electrical properties and stability of prepared nanomaterial. The nanoparticles have been characterized by field emission scanning electron microscopy (FESEM), transmission electron microscope (TEM), energy dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), UV-vis, photoluminescence (PL) spectroscopy, FT-IR, and cyclic voltammetry techniques. The PL spectroscopy study of CoFe 2 O 4 @CdSe has shown significant PL quenching by the formation of CoFe 2 O 4 core inside CdSe, this shows that CoFe 2 O 4 NPs are efficient electron acceptors with the CdSe. It is clearly observed that the biosensor can significantly enhance electrocatalytic activity towards the oxidation of RIF, under the optimal conditions. The novelty of this work arises from the new synthesis method for the core-shell of CoFe 2 O 4 @CdSe. Then, the novel electrochemical biosensor was fabricated for ultra-trace level determination of rifampicin with very low detection limit (4.55×10 -17 M) and a wide linear range from 1.0×10 -16 to 1.0×10 -7 M. The fabricated biosensor showed high sensitivity and selectivity, good reproducibility and stability. Therefore, it was successfully applied for the determination of ultra-trace RIF amounts in biological and pharmaceutical samples with satisfactory recovery data. Copyright © 2016 Elsevier B.V. All rights reserved.

Reciprocity and depressive symptoms in Belgian workers: a cross-sectional multilevel analysis.

PubMed

De Clercq, Bart; Clays, Els; Janssens, Heidi; De Bacquer, Dirk; Casini, Annalisa; Kittel, France; Braeckman, Lutgart

2013-07-01

This study examines the multidimensional association between reciprocity at work and depressive symptoms. Data from the Belgian BELSTRESS survey (32 companies; N = 24,402) were analyzed. Multilevel statistical procedures were used to account for company-level associations while controlling for individual-level associations. Different dimensions of individual reciprocity were negatively associated with depressive symptoms. On the company level, only vertical emotional reciprocity was negatively associated (β = -4.660; SE = 1.117) independently from individual reciprocity (β = -0.557; SE = 0.042). Complex interactions were found such that workplace reciprocity (1) may not uniformly benefit individuals and (2) related differently to depressive symptoms, depending on occupational group. This study extends the existing literature with evidence on the multidimensional, contextual, and cross-level interaction associations of reciprocity as a key aspect of social capital on depressive symptoms.

[Speech by Carlos Matus in the presentation of Adiós, Señor Presidente].

PubMed

Matus, Carlos

2014-04-01

The text of this article was written by Carlos Matus and read aloud by him at the first presentation of his book Adiós, Señor Presidente [Goodbye, Mr. President] in Venezuela in 1987. Matus describes the problems of the governments of Latin America of that day, in order to address the growing gap between the capacity of governments to govern and the complexity of social systems. For Matus, bridging this gap requires theories, techniques, systems and methods so as to develop government projects in which the governability of the system is not less than the magnitude of its problems. This document was recovered from the Mario Testa fund, in the Center for Documentation and Research Pensar en Salud (CEDOPS) of the Institute of Collective Health in the Universidad Nacional de Lanús.

Encapsulation efficiency of CdSe/ZnS quantum dots by liposomes determined by thermal lens microscopy

PubMed Central

Batalla, Jessica; Cabrera, Humberto; San Martín-Martínez, Eduardo; Korte, Dorota; Calderón, Antonio; Marín, Ernesto

2015-01-01

In this study the encapsulation of core shell carboxyl CdSe/ZnS quantum dots (QDs) by phospholipids liposome complexes is presented. It makes the quantum dots water soluble and photo-stable. Fluorescence self-quenching of the QDs inside the liposomes was observed. Therefore, the thermal lens microscopy (TLM) was found to be an useful tool for measuring the encapsulation efficiency of the QDs by the liposomes, for which an optimum value of 36% was determined. The obtained limit of detection (LOD) for determining QDs concentration by TLM was 0.13 nM. Moreover, the encapsulated QDs showed no prominent cytotoxicity toward Breast cancer cells line MDA-MB-231. This study was supported by UV-visible spectroscopy, high resolution transmission electron microscopy (HRTEM) and dynamic light scattering measurements (DLS). PMID:26504640

Medium range order and structural relaxation in As–Se network glasses through FSDP analysis

DOE PAGES

Golovchak, R.; Lucas, P.; Oelgoetz, J.; ...

2015-01-13

We performed synchrotron X-ray diffraction and neutron scattering studies on As-Se glasses in two states: as-prepared (rejuvenated) and aged for similar to 27 years. The first sharp diffraction peak (FSDP) obtained from the structure factor data as a function of composition and temperature indicates that the cooperative processes that are responsible for structural relaxation do not affect FSDP. The results are correlated with the composition dependence of the complex heat capacity of the glasses and concentration of different structural fragments in the glass network. Furthermore, the comparison of structural information shows that density fluctuations, which were thought previously to havemore » a significant contribution to FSDP, have much smaller effect than the cation-cation correlations, presence of ordered structural fragments or cage molecules.« less

Integrating the human element into the systems engineering process and MBSE methodology

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

Tadros, Michael Samir

In response to the challenges related to the increasing size and complexity of systems, organizations have recognized the need to integrate human considerations in the beginning stages of systems development. Human Systems Integration (HSI) seeks to accomplish this objective by incorporating human factors within systems engineering (SE) processes and methodologies, which is the focus of this paper. A representative set of HSI methods from multiple sources are organized, analyzed, and mapped to the systems engineering Vee-model. These methods are then consolidated and evaluated against the SE process and Models-Based Systems Engineering (MBSE) methodology to determine where and how they couldmore » integrate within systems development activities in the form of specific enhancements. Overall conclusions based on these evaluations are presented and future research areas are proposed.« less

Probabilistic performance assessment of complex energy process systems - The case of a self-sustained sanitation system.

PubMed

Kolios, Athanasios; Jiang, Ying; Somorin, Tosin; Sowale, Ayodeji; Anastasopoulou, Aikaterini; Anthony, Edward J; Fidalgo, Beatriz; Parker, Alison; McAdam, Ewan; Williams, Leon; Collins, Matt; Tyrrel, Sean

2018-05-01

A probabilistic modelling approach was developed and applied to investigate the energy and environmental performance of an innovative sanitation system, the "Nano-membrane Toilet" (NMT). The system treats human excreta via an advanced energy and water recovery island with the aim of addressing current and future sanitation demands. Due to the complex design and inherent characteristics of the system's input material, there are a number of stochastic variables which may significantly affect the system's performance. The non-intrusive probabilistic approach adopted in this study combines a finite number of deterministic thermodynamic process simulations with an artificial neural network (ANN) approximation model and Monte Carlo simulations (MCS) to assess the effect of system uncertainties on the predicted performance of the NMT system. The joint probability distributions of the process performance indicators suggest a Stirling Engine (SE) power output in the range of 61.5-73 W with a high confidence interval (CI) of 95%. In addition, there is high probability (with 95% CI) that the NMT system can achieve positive net power output between 15.8 and 35 W. A sensitivity study reveals the system power performance is mostly affected by SE heater temperature. Investigation into the environmental performance of the NMT design, including water recovery and CO 2 /NO x emissions, suggests significant environmental benefits compared to conventional systems. Results of the probabilistic analysis can better inform future improvements on the system design and operational strategy and this probabilistic assessment framework can also be applied to similar complex engineering systems.

Refining the W1 and SE1 Facilities

NASA Technical Reports Server (NTRS)

Chambers, Rodney D.

2004-01-01

The Engine Research Building (ERB) houses more than 60 test rigs that study all aspects of engine development. By working with Mary Gibson in the SE1 and W1A Turbine Facilities, I became aware of her responsibilities and better acquainted with the inner workings of the ERB. The SE1 Supersonic/Subsonic Wind Tunnel Facility contains 2 small wind tunnels. The first tunnel uses an atmospheric inlet, while the second uses treated 40-psig air. Both of the tunnels are capable of subsonic and supersonic operation. An auxiliary air supply and exhaust piping providing both test sections with suction, blowing, and crossfire capabilities. The current configuration of SE1 consists of a curved diffuser that studies the blockage along the endwalls. The W1A Low Speed Compressor Facility provides insight for the complex flow phenomena within its 4-stage axial compressor, sand the data obtained from W 1A is used to develop advanced models for fluid dynamic assessment. W1A is based off of a low speed research compressor developed by GE in the 1950's. This compressor has a removable casing treatment under rotor 1, which allows for various tip treatment studies. The increased size and low speed allows instrumentation to be located in the compressor s complex flow paths. Air enters the facility through a filtered roof vent, conditioned for temperature and turbulence, and then passed through the compressor W1A is described as a dynamic facility with many projects taking place simultaneously. This current environment makes it challenging to follow the various affairs that are taking place within the area. During my first 4 weeks at the NASA Glenn Research Center, I have assisted Mary Gibson in multiple tasks such as facility documents, record keeping, maintenance and upgrades. The facility has lube systems for its gearbox and compressor. These systems are critical in the successful operation of the facility. I was assigned the task of creating a facility estimate list, which included the filters and strainers required for the compressor. For my remaining time spent here, we expect to complete a facility parts listing and a virtual project summary so that W1A and SE1 will become ergonomic facilities that will make it easier for people to observe the capabilities and history of the area and the employees that operate. Bolstering our efforts in achieving these goal are the online technical tutorials, software such as Microsoft Excel. Macromedia Flash MX Macromedia Dreamweaver MX, Photoshop 6.0 and the assistance of several NASA employees.

Transannular E···E' Interactions in Neutral, Radical Cationic, and Dicationic Forms of cyclo-[E(CH2CH2CH2)2E'] (E, E' = S, Se, Te, and O) with Structural Feature: Dynamic and Static Behavior of E···E' Elucidated by QTAIM Dual Functional Analysis.

PubMed

Hayashi, Satoko; Matsuiwa, Kohei; Nishizawa, Nozomu; Nakanishi, Waro

2015-12-18

The nature of the transannular E-∗-E' interactions in neutral, radical cationic, and dicationic forms of cyclo-E(CH2CH2CH2)2E' (1) (E, E' = S, Se, Te, and O) (1, 1(•+), and 1(2+), respectively) is elucidated by applying QTAIM dual functional analysis (QTAIM-DFA). Hb(rc) are plotted versus Hb(rc) - Vb(rc)/2 for the data of E-∗-E' at BCPs in QTAIM-DFA, where ∗ emphasizes the existence of BCP. Plots for the fully optimized structures are analyzed by the polar coordinate (R, θ) representation. Those containing the perturbed structures are by (θp, κp): θp corresponds to the tangent line of the plot, and κp is the curvature. While (R, θ) describes the static nature, (θp, κp) represents the dynamic nature of interactions. The nature is well-specified by (R, θ) and (θp, κp). E-∗-E' becomes stronger in the order of 1 < 1(•+) < 1(2+), except for O-∗-O. While E-∗-E' (E, E' = S, Se, and Te) in 1(2+) are characterized as weak covalent bonds, except for S-∗-Te (MC nature through CT) and Se-∗-Te (TBP nature through CT), O-∗-E' seems more complex. The behavior of E-∗-E' in 1(2+) is very close to that of cyclo-E(CH2CH2CH2)E' (E, E' = S, Se, Te, and O), except for O-∗-O.

T cell cytokine polarity as a determinant of immunoglobulin A (IgA) glycosylation and the severity of experimental IgA nephropathy.

PubMed

Chintalacharuvu, S R; Yamashita, M; Bagheri, N; Blanchard, T G; Nedrud, J G; Lamm, M E; Tomino, Y; Emancipator, S N

2008-09-01

Immunoglobulin A (IgA) glycosylation, recognized as an important pathogenic factor in IgA nephropathy (IgAN), is apparently controlled by the polarity of T helper (Th) cytokine responses. To examine the role of cytokine polarity in IgAN, inbred mice were immunized by intraperitoneal priming with inactivated Sendai virus (SeV) emulsified in either complete Freund's adjuvant (CFA) or incomplete Freund's adjuvant (IFA), which promote Th1- or Th2-immune response, respectively, and then boosted identically twice orally with aqueous suspensions of inactivated virus. Next, some mice were challenged intranasally with infectious SeV. Mice primed with CFA or IFA had equal reductions in nasal viral titre relative to non-immune controls, and equally increased serum levels of SeV-specific IgA antibody. Mice primed with CFA showed higher SeV-specific IgG than those with IFA. Splenocytes from mice primed with IFA produced copious amounts of interleukin (IL)-4 and IL-5, but little interferon-gamma and IL-2; those primed with CFA had reciprocal cytokine recall responses. Total serum IgA and especially SeV-specific IgA from mice primed with IFA showed a selective defect in sialylation and galactosylation. Although the frequency and intensity of glomerular deposits and haematuria did not differ, glomerulonephritis in mice primed with IFA and challenged with infectious virus was more severe than in those given CFA, as judged by serum creatinine level. We conclude that the polarity of T cell cytokines controls the pattern of IgA glycosylation and exerts direct or indirect effects on functional glomerular responses to immune complex deposition.

The potential leaching and mobilization of trace elements from FGD-gypsum of a coal-fired power plant under water re-circulation conditions.

PubMed

Córdoba, Patricia; Castro, Iria; Maroto-Valer, Mercedes; Querol, Xavier

2015-06-01

Experimental and geochemical modelling studies were carried out to identify mineral and solid phases containing major, minor, and trace elements and the mechanism of the retention of these elements in Flue Gas Desulphurisation (FGD)-gypsum samples from a coal-fired power plant under filtered water recirculation to the scrubber and forced oxidation conditions. The role of the pH and related environmental factors on the mobility of Li, Ni, Zn, As, Se, Mo, and U from FGD-gypsums for a comprehensive assessment of element leaching behaviour were also carried out. Results show that the extraction rate of the studied elements generally increases with decreasing the pH value of the FGD-gypsum leachates. The increase of the mobility of elements such as U, Se, and As in the FGD-gypsum entails the modification of their aqueous speciation in the leachates; UO2SO4, H2Se, and HAsO2 are the aqueous complexes with the highest activities under acidic conditions. The speciation of Zn, Li, and Ni is not affected in spite of pH changes; these elements occur as free cations and associated to SO4(2) in the FGD-gypsum leachates. The mobility of Cu and Mo decreases by decreasing the pH of the FGD-gypsum leachates, which might be associated to the precipitation of CuSe2 and MoSe2, respectively. Time-of-Flight mass spectrometry of the solid phase combined with geochemical modelling of the aqueous phase has proved useful in understanding the mobility and geochemical behaviour of elements and their partitioning into FGD-gypsum samples. Copyright © 2015. Published by Elsevier B.V.

Influence of carrier concentration on the performance of CIAS solar cell

NASA Astrophysics Data System (ADS)

Patel, Kinjal; Ray, Jaymin

2018-05-01

Photovoltaic research has moved beyond the use of single crystalline materials such as Group IV elemental Si and Group III-V compounds like GaAs to much more complex compounds of the Group I-III-VI2 with chalcopyrite structure. The ternary ABC2 chalcopyrites (A=Cu; B=In, Ga or Al; C= S, Se or Te) form a large group of semiconducting materials with diverse structural and electrical properties. These materials are attractive for thin film photovoltaic application for a number of reasons. The bandgap of CuInSe2 is relatively low, 1.04 eV, but it can be adjusted to better match the solar spectrum either by substituting part of In by Ga or part of Se by S. Most reported and popular Cu(In,Ga)Se2 (CIGS) is one of its derivative. Efficiency of the CIGS devices with Eg >1.3 eV is reduced by the degradation of the electronic properties of the absorber leading to losses in the fill-factor and the open-circuit voltage. Alternatively, the performance can be improved by the addition of Al to form CuInAlSe2 (CIAS) absorber layers with an increase in the bandgap energy, which matches closely with the solar spectrum. In the present work an effort was made in the direction of improving the conversion efficiency by studying the influence of carrier concentration. SCAPS simulation program is used to simulate the CIAS structure numerically. The obtained results intended the significant variation in the values of conversion efficiency. Variation in the efficiency can be considered because of the relation optical absorption and carrier concentration. Observed highest efficiency is 10 %, which can be further improved by considering actual parameters of the device as well as the operating condition.

Assessing the Thermal Conductivity of Cu2-xSe Alloys Undergoing a Phase Transition via the Simultaneous Measurement of Thermoelectric Parameters by a Harman-Based Setup

NASA Astrophysics Data System (ADS)

Vasilevskiy, D.; Keshavarz, M. K.; Simard, J.-M.; Masut, R. A.; Turenne, S.; Snyder, G. J.

2018-06-01

Some materials such as Cu2-xSe, Cu1.97Ag0.03Se, and SnSe have attracted attention by demonstrating a significant enhancement of their thermoelectric performance, which is associated with a phase transition. This phenomenon, observed in a limited temperature ( T) interval, results in sharp changes of the Seebeck coefficient ( S), the electrical resistivity ( ρ), and the thermal conductivity ( κ), which may render the correct evaluation of the dimensionless figure of merit (ZT) difficult. We report the thermoelectric properties of a polycrystalline Cu2-xSe sample which is known to undergo a phase transition near 410 K, containing a mixture of α- and β-phases at room temperature, as determined by x-ray diffraction measurements. We have used a Harman-based setup (TEMTE Inc.), which assures the direct measurement of ZT at all temperatures, including the phase transition region. This approach ensures that κ( T) is determined under steady-state conditions at any given temperature, including points arbitrarily close to the transition temperature which cannot be guaranteed by previously used techniques such as laser flash. We have observed a sharp maximum for κ( T) near 410 K, similar to the reported specific heat variation, with a ZT peak value of 0.2 at 400 K. The expected gain in ZT related to the phase transition is reduced because the increase in S is counterbalanced by the increase in κ( T). Thus, our detailed assessment of the temperature variation of the individual thermoelectric properties accurately evaluates the performance enhancement associated to a structural phase transition and helps to elucidate this complex phenomenon.

Desulfurization: Critical step towards enhanced selenium removal from industrial effluents.

PubMed

Staicu, Lucian C; Morin-Crini, Nadia; Crini, Grégorio

2017-04-01

Selenium (Se) removal from synthetic solutions and from real Flue Gas Desulfurization (FGD) wastewater generated by a coal-fired power plant was studied for the first time using a commercial iron oxide impregnated strong base anion exchange resin, Purolite ® FerrIX A33E. In synthetic solutions, the resin showed high affinity for selenate and selenite, while sulfate exhibited a strong competition for both oxyanions. The FGD wastewater investigated is a complex system that contains Se (∼1200 μg L -1 ), SO 4 2- (∼1.1 g L -1 ), Cl - (∼9.5 g L -1 ), and Ca 2+ (∼5 g L -1 ), alongside a broad spectrum of toxic trace metals including Cd, Cr, Hg, Ni, and Zn. The resin performed poorly against Se in the raw FGD wastewater and showed moderate to good removal of several trace elements such as Cd, Cr, Hg, and Zn. In FGD effluent, sulfate was identified as a powerful competing anion for Se, having high affinity for the exchange active sites of the resin. The desulfurization of the FGD effluent using BaCl 2 led to the increase in Se removal from 3% (non-desulfurized effluent) to 80% (desulfurized effluent) by combined precipitation and ion exchange treatment. However, complete desulfurization using equimolar BaCl 2 could not be achieved due to the presence of bicarbonate that acts as a sulfate competitor for barium. In addition to selenium and sulfate removal, several toxic metals were efficiently removed (Cd: 91%; Cr: 100%; Zn: 99%) by the combined (desulfurization and ion exchange) treatment. Copyright © 2016 Elsevier Ltd. All rights reserved.

Completing the Heterocubane Family [Cp*AlE]4 (E = O, S, Se, and Te) by Selective Oxygenation and Sulfuration of [Cp*Al]4: Density Functional Theory Calculations of [Cp*AlE]4 and Reactivity of [Cp*AlO]4 toward Hydrolysis.

PubMed

Stelzer, Adrian C; Hrobárik, Peter; Braun, Thomas; Kaupp, Martin; Braun-Cula, Beatrice

2016-05-16

The subvalent aluminum compound [Cp*Al]4 (1) reacts with dioxygen, N2O, or sulfur to yield the heterocubane complexes [Cp*AlX]4 [X = O (2) and S (3)]. Treatment of [Cp*AlO]4 (2) with (tBuO)3SiOH gave [(tBuO)3SiOAlO]4 (6) and Cp*H. The structures and spectroscopic data of the Al clusters are supported by density functional theory (DFT) calculations, which also demonstrate the importance of noncovalent interactions (NCI) in oligomeric Al(I) complexes as well as in [Cp*AlS]4 and the heavier homologues of Se and Te. The computed (27)Al NMR shifts indicate a deshielding at the Al centers with increasing electronegativity of the chalcogen atom as well as significant spin-orbit shielding effects within the heavier heterocubane [Al4E4] cores. Further hydrolysis of 6 with an additional amount of silanol in the presence of water resulted in the formation of [Al4(OH)6(OH2)2(OSiOtBu3)6] (7), which shows a structural motif found in boehmite and diaspore.

Cellular internalization and morphological analysis after intravenous injection of a highly hydrophilic octahedral rhenium cluster complex - a new promising X-ray contrast agent.

PubMed

Krasilnikova, Anna A; Solovieva, Anastasiya O; Trifonova, Kristina E; Brylev, Konstantin A; Ivanov, Anton A; Kim, Sung-Jin; Shestopalov, Michael A; Fufaeva, Maria S; Shestopalov, Alexander M; Mironov, Yuri V; Poveshchenko, Alexander F; Shestopalova, Lidia V

2016-11-01

The octahedral cluster compound Na 2 H 8 [{Re 6 Se 8 }(P(C 2 H 4 CONH 2 )(C 2 H 4 COO) 2 ) 6 ] has been shown to be highly radio dense, thus becoming a promising X-ray contrast agent. It was also shown that this compound had low cytotoxic effect in vitro, low acute toxicity in vivo and was eliminated rapidly from the body through the urinary tract. The present contribution describes a more detailed cellular internalization assay and morphological analysis after intravenous injection of this hexarhenium cluster compound at different doses. The median lethal dose (LD 50 ) of intravenously administrated compound was calculated (4.67 ± 0.69 g/kg). Results of the study clearly indicated that the cluster complex H n [{Re 6 Se 8 }(P(C 2 H 4 CONH 2 )(C 2 H 4 COO) 2 ) 6 ] n-10 was not internalized into cells in vitro and induced only moderate morphological alterations of kidneys at high doses without any changes in morphology of liver, spleen, duodenum, or heart of mice. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

Congenital zygomatico-mandibular fusion (pseudo-syngnathia?) in conjunction with unilateral anophthalmia: review of terminology and classification.

PubMed

Tauro, David P; Kallappanavar, N K; Kiran, H Y; Girhe, Vijaykumar J

2012-09-01

Syngnathia per se is a rare congenital disorder. A literature survey reveals a total of 26 cases of syngnathia in the English literature since 1936, of which only seven cases involved fusion of the ascending ramus of the mandible to the posterior portion of the maxilla and zygomatic complex. The remaining 19 involved fusion of the alveolar ridges of the maxilla and mandible. This is a unique case of fusion of the mandible to the zygomatic complex presenting with a unilateral anophthalmic orbit in an 18-day-old neonate. The use of the term syngnathia has been reviewed and a modification in classification has been suggested.

Stabilization of large generalized Lotka-Volterra foodwebs by evolutionary feedback.

PubMed

Ackland, G J; Gallagher, I D

2004-10-08

Conventional ecological models show that complexity destabilizes foodwebs, suggesting that foodwebs should have neither large numbers of species nor a large number of interactions. However, in nature the opposite appears to be the case. Here we show that if the interactions between species are allowed to evolve within a generalized Lotka-Volterra model such stabilizing feedbacks and weak interactions emerge automatically. Moreover, we show that trophic levels also emerge spontaneously from the evolutionary approach, and the efficiency of the unperturbed ecosystem increases with time. The key to stability in large foodwebs appears to arise not from complexity per se but from evolution at the level of the ecosystem which favors stabilizing (negative) feedbacks.

Structural and dynamical studies of molecular and network forming chalcogenide glasses and supercooled liquids with NMR and Raman spectroscopy

NASA Astrophysics Data System (ADS)

Gjersing, Erica Lee

The techniques of Nuclear Magnetic Resonance (NMR) and Raman spectroscopy have been employed to study structure and dynamics in Ge-Se, Ge/As-Te, and As-S binary and complex Ge-As-Te and P-As-S ternary chalcogenide glasses. Structural studies were conducted on Ge-Se glasses and on binary Ge/As-Te and ternary Ge-As-Te systems. The structure of the GexSe100-x glass series, with 5≤x≤33, is investigated with 77Se Magic Angle Spinning (MAS) NMR and then compared with three different proposed structural models. For the binary Ge-Te and As-Te and ternary Ge-As-Te glass systems the structure is studied using Raman spectroscopy and correlated with physical properties such as molar volume, viscosity, optical band gap and thermophysical properties. Studies on glass transition dynamics were conducted on systems with a range of structural features including an As4S3 inorganic molecular glass former, an As-P-S system where molecules are bonded to the As-S network, and network glasses in the Ge-Se system. Timescales of the rotational dynamics of As4S3 cage molecules in the molecular As-sulfide glass and supercooled liquid show remarkably large decoupling from the timescales of viscous flow and shear relaxation at temperatures below and near Tg (312K). Next, the dynamic behavior of a (As 2S3)90(P2S5)10 glass, which is proposed to consist of As2P2S8 molecular structures which are connected to an As-S network, is investigated with 31P NMR. The rotational dynamics of selenium chains in network forming GexSe100-x glasses and supercooled liquids with 5≤x≤23 are investigated with variable temperature 77Se NMR spectroscopy to determine the relationship between rigidity percolation and dynamic behavior. The timescale of the motion of the Se atoms is observed to be nearly identical for x≤17 and ≤2.36. However, for the x=20 and 23 compositions where ≤2.4, above the rigidity percolation threshold, the timescale slows down abruptly. Finally, the Ge20Se 80 glass and supercooled liquid have been the focus of a variable temperature Raman spectroscopy study to investigate the vibrational mode softening behavior and the importance of vibrational entropy in glass transition.

Feature level fusion for enhanced geological mapping of ophiolile complex using ASTER and Landsat TM data

NASA Astrophysics Data System (ADS)

Pournamdari, M.; Hashim, M.

2014-02-01

Chromite ore deposit occurrence is related to ophiolite complexes as a part of the oceanic crust and provides a good opportunity for lithological mapping using remote sensing data. The main contribution of this paper is a novel approaches to discriminate different rock units associated with ophiolite complex using the Feature Level Fusion technique on ASTER and Landsat TM satellite data at regional scale. In addition this study has applied spectral transform approaches, consisting of Spectral Angle Mapper (SAM) to distinguish the concentration of high-potential areas of chromite and also for determining the boundary between different rock units. Results indicated both approaches show superior outputs compared to other methods and can produce a geological map for ophiolite complex rock units in the arid and the semi-arid region. The novel technique including feature level fusion and Spectral Angle Mapper (SAM) discriminated ophiolitic rock units and produced detailed geological maps of the study area. As a case study, Sikhoran ophiolite complex located in SE, Iran has been selected for image processing techniques. In conclusion, a suitable approach for lithological mapping of ophiolite complexes is demonstrated, this technique contributes meaningfully towards economic geology in terms of identifying new prospects.

Viral and Cellular Factors Involved in Phloem Transport of Plant Viruses

PubMed Central

Hipper, Clémence; Brault, Véronique; Ziegler-Graff, Véronique; Revers, Frédéric

2013-01-01

Phloem transport of plant viruses is an essential step in the setting-up of a complete infection of a host plant. After an initial replication step in the first cells, viruses spread from cell-to-cell through mesophyll cells, until they reach the vasculature where they rapidly move to distant sites in order to establish the infection of the whole plant. This last step is referred to as systemic transport, or long-distance movement, and involves virus crossings through several cellular barriers: bundle sheath, vascular parenchyma, and companion cells for virus loading into sieve elements (SE). Viruses are then passively transported within the source-to-sink flow of photoassimilates and are unloaded from SE into sink tissues. However, the molecular mechanisms governing virus long-distance movement are far from being understood. While most viruses seem to move systemically as virus particles, some viruses are transported in SE as viral ribonucleoprotein complexes (RNP). The nature of the cellular and viral factors constituting these RNPs is still poorly known. The topic of this review will mainly focus on the host and viral factors that facilitate or restrict virus long-distance movement. PMID:23745125

Charge Transport in Semiconductor Nanocrystal Solids

NASA Astrophysics Data System (ADS)

Talapin, Dmitri; Shevchenko, Elena; Lee, Jong Soo; Urban, Jeffrey; Mitzi, David; Murray, Christopher

2007-03-01

Self-assembly of chemically-synthesized nanocrystals can yield complex long-range ordered structures which can be used as model systems for studying transport phenomena in low-dimensional materials [1]. Treatment of close-packed PbSe nanocrystal arrays with hydrazine enhanced exchange coupling between the nanocrystals and improved conductance by more than ten orders of magnitude compared to native nanocrystal films [2]. The conductivity of PbSe nanocrystal solids can be switched between n- and p-type transports by controlling the saturation of electronic states at nanocrystal surfaces. Nanocrystal arrays form the n- and p-channels of field-effect transistors with electron and hole mobilities of 2.5 cm^2V-1s-1 and 0.3 cm^2V-1s-1, respectively, and current modulation Ion/Ioff˜10^3-10^4. The field-effect mobility in PbSe nanocrystal arrays is higher than the mobility of organic transistors while the easy switch between n- and p-transport allows realization of complimentary circuits and p-n junctions for nanocrystal-based solar cells and thermoelectric devices. [1] E. V. Shevchenko, D. V. Talapin, N. A. Kotov, S. O'Brien, C. B. Murray. Nature 439, 55 (2006). [2] D. V. Talapin, C. B. Murray. Science 310, 86 (2005).

Influence of support electrolytic in the electrodeposition of CuGaSe thin films

DOE PAGES

Fernandez, A. M.; Turner, J. A.; Lara-Lara, B.; ...

2016-11-02

CuGaSe 2 is an important thin film electronic material that possesses several attributes that make it appealing for solar energy conversion. Because of its properties it can be incorporated in to various devices, among the greatest highlights are photovoltaic cells, as well as its potential use as photocathodes for hydrogen production, via the photoelectrolysis. There are several methods of its preparation, most notably electrodeposition that has the potential for large areas and high volumes. Electrodeposition of ternary and/or quaternary semiconductors generally proceeds via the formation of a binary, which is subsequently reacted to form the ternary compound. Several conditions mustmore » be controlled to form binary compounds that include the use of complexing agents, buffers, temperature, etc. Here, we discuss the effect of anion composition in the electrolytic bath and the type of lithium salts, in order to manipulate the atomic concentration of CuGaSe 2 during the electrodeposition of thin films, yielding copper-rich, gallium-rich or stoichiometric thin films. Finally, we present the results of a study on the morphology and structure obtained using two types of substrates both before and after performing a heat treatment.« less

Influence of support electrolytic in the electrodeposition of Cusbnd Gasbnd Se thin films

NASA Astrophysics Data System (ADS)

Fernandez, A. M.; Turner, J. A.; Lara-Lara, B.; Deutsch, T. G.

2017-01-01

CuGaSe2 is an important thin film electronic material that possesses several attributes that make it appealing for solar energy conversion. Due to its properties it can be incorporated in to various devices, among the greatest highlights are photovoltaic cells, as well as its potential use as photocathodes for hydrogen production, via the photoelectrolysis. There are several methods of its preparation, most notably electrodeposition that has the potential for large areas and high volumes. Electrodeposition of ternary and/or quaternary semiconductors generally proceeds via the formation of a binary, which is subsequently reacted to form the ternary compound. Several conditions must be controlled to form binary compounds that include the use of complexing agents, buffers, temperature, etc. In this paper, we discuss the effect of anion composition in the electrolytic bath and the type of lithium salts, in order to manipulate the atomic concentration of CuGaSe2 during the electrodeposition of thin films, yielding copper-rich, gallium-rich or stoichiometric thin films. We also present the results of a study on the morphology and structure obtained using two types of substrates both before and after performing a heat treatment.

Effect of Thermal Annealing on the Band GAP and Optical Properties of Chemical Bath Deposited ZnSe Thin Films

NASA Astrophysics Data System (ADS)

Ezema, F. I.; Ekwealor, A. B. C.; Osuji, R. U.

2006-05-01

Zinc selenide (ZnSe) thin films were deposited on glass substrate using the chemical bath deposition method at room temperature from aqueous solutions of zinc sulphate and sodium selenosulfate in which sodium hydroxide was employed as complexing agents. The `as-deposited' ZnSe thin films are red in color and annealed in oven at 473 K for 1 hour and on a hot plate in open air at 333 K for 5 minutes, affecting the morphological and optical properties. Optical properties such as absorption coefficient a and extinction coefficient k, were determined using the absorbance and transmission measurement from Unico UV-2102 PC spectrophotometer, at normal incidence of light in the wavelength range of 200-1000 nm. The films have transmittance in VIS-NIR regions that range between 26 and 87%. From absorbance and transmittance spectra, the band gap energy determined ranged between 1.60 eV and 1.75 for the `as deposited' samples, and the annealed samples exhibited a band gap shift of 0.15 eV. The high transmittance of the films together with its large band gap made them good materials for selective coatings for solar cells.

Selective ribosome profiling as a tool to study the interaction of chaperones and targeting factors with nascent polypeptide chains and ribosomes

PubMed Central

Becker, Annemarie H.; Oh, Eugene; Weissman, Jonathan S.; Kramer, Günter; Bukau, Bernd

2014-01-01

A plethora of factors is involved in the maturation of newly synthesized proteins, including chaperones, membrane targeting factors, and enzymes. Many factors act cotranslationally through association with ribosome-nascent chain complexes (RNCs), but their target specificities and modes of action remain poorly understood. We developed selective ribosome profiling (SeRP) to identify substrate pools and points of RNC engagement of these factors. SeRP is based on sequencing mRNA fragments covered by translating ribosomes (general ribosome profiling, RP), combined with a procedure to selectively isolate RNCs whose nascent polypeptides are associated with the factor of interest. Factor–RNC interactions are stabilized by crosslinking, the resulting factor–RNC adducts are then nuclease-treated to generate monosomes, and affinity-purified. The ribosome-extracted mRNA footprints are converted to DNA libraries for deep sequencing. The protocol is specified for general RP and SeRP in bacteria. It was first applied to the chaperone trigger factor and is readily adaptable to other cotranslationally acting factors, including eukaryotic factors. Factor–RNC purification and sequencing library preparation takes 7–8 days, sequencing and data analysis can be completed in 5–6 days. PMID:24136347

Alternative stitching method for massively parallel e-beam lithography

NASA Astrophysics Data System (ADS)

Brandt, Pieter; Tranquillin, Céline; Wieland, Marco; Bayle, Sébastien; Milléquant, Matthieu; Renault, Guillaume

2015-07-01

In this study, a stitching method other than soft edge (SE) and smart boundary (SB) is introduced and benchmarked against SE. The method is based on locally enhanced exposure latitude without throughput cost, making use of the fact that the two beams that pass through the stitching region can deposit up to 2× the nominal dose. The method requires a complex proximity effect correction that takes a preset stitching dose profile into account. Although the principle of the presented stitching method can be multibeam (lithography) systems in general, in this study, the MAPPER FLX 1200 tool is specifically considered. For the latter tool at a metal clip at minimum half-pitch of 32 nm, the stitching method effectively mitigates beam-to-beam (B2B) position errors such that they do not induce an increase in critical dimension uniformity (CDU). In other words, the same CDU can be realized inside the stitching region as outside the stitching region. For the SE method, the CDU inside is 0.3 nm higher than outside the stitching region. A 5-nm direct overlay impact from the B2B position errors cannot be reduced by a stitching strategy.

Influence of support electrolytic in the electrodeposition of CuGaSe thin films

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

Fernandez, A. M.; Turner, J. A.; Lara-Lara, B.

CuGaSe 2 is an important thin film electronic material that possesses several attributes that make it appealing for solar energy conversion. Because of its properties it can be incorporated in to various devices, among the greatest highlights are photovoltaic cells, as well as its potential use as photocathodes for hydrogen production, via the photoelectrolysis. There are several methods of its preparation, most notably electrodeposition that has the potential for large areas and high volumes. Electrodeposition of ternary and/or quaternary semiconductors generally proceeds via the formation of a binary, which is subsequently reacted to form the ternary compound. Several conditions mustmore » be controlled to form binary compounds that include the use of complexing agents, buffers, temperature, etc. Here, we discuss the effect of anion composition in the electrolytic bath and the type of lithium salts, in order to manipulate the atomic concentration of CuGaSe 2 during the electrodeposition of thin films, yielding copper-rich, gallium-rich or stoichiometric thin films. Finally, we present the results of a study on the morphology and structure obtained using two types of substrates both before and after performing a heat treatment.« less

Effect of annealing on the optical properties of amorphous Se79Te10Sb4Bi7 thin films

NASA Astrophysics Data System (ADS)

Nyakotyo, H.; Sathiaraj, T. S.; Muchuweni, E.

2017-07-01

Thin films of Se79Te10Sb4Bi7, were prepared by Electron beam deposition technique. The structure of the as-prepared and annealed films has been studied by X-ray diffraction and the surface morphology by the scanning electron microscope (SEM). These studies show that there is a gradual change in structure and the formation of some polycrystalline structures in the amorphous phases is observed when the Se79Te10Sb4Bi7 film is annealed in the temperature range of 333-393 K. The optical transmission of these films has been studied as a function of photon wavelength in the range 300-2500 nm. It has been found that the optical band gap Egopt decreased with increasing annealing temperature in the range 333-393 K. The Urbach energy (Eu), optical conductivity (σopt), imaginary (εi), and real (εr) parts of the complex dielectric constant (ε) and lattice dielectric constant (εL) were also determined. The changes noticed in optical parameters with increasing annealing temperature were explained on the basis of structural relaxation as well as change in defect states and density of localized states due to amorphous-crystalline transformation.

Probing the Interlayer Exciton Physics in a MoS2/MoSe2/MoS2 van der Waals Heterostructure.

PubMed

Baranowski, M; Surrente, A; Klopotowski, L; Urban, J M; Zhang, N; Maude, D K; Wiwatowski, K; Mackowski, S; Kung, Y C; Dumcenco, D; Kis, A; Plochocka, P

2017-10-11

Stacking atomic monolayers of semiconducting transition metal dichalcogenides (TMDs) has emerged as an effective way to engineer their properties. In principle, the staggered band alignment of TMD heterostructures should result in the formation of interlayer excitons with long lifetimes and robust valley polarization. However, these features have been observed simultaneously only in MoSe 2 /WSe 2 heterostructures. Here we report on the observation of long-lived interlayer exciton emission in a MoS 2 /MoSe 2 /MoS 2 trilayer van der Waals heterostructure. The interlayer nature of the observed transition is confirmed by photoluminescence spectroscopy, as well as by analyzing the temporal, excitation power, and temperature dependence of the interlayer emission peak. The observed complex photoluminescence dynamics suggests the presence of quasi-degenerate momentum-direct and momentum-indirect bandgaps. We show that circularly polarized optical pumping results in long-lived valley polarization of interlayer exciton. Intriguingly, the interlayer exciton photoluminescence has helicity opposite to the excitation. Our results show that through a careful choice of the TMDs forming the van der Waals heterostructure it is possible to control the circular polarization of the interlayer exciton emission.

The Disfluent Speech of Bilingual Spanish–English Children: Considerations for Differential Diagnosis of Stuttering

PubMed Central

Bedore, Lisa M.; Ramos, Daniel

2015-01-01

Purpose The primary purpose of this study was to describe the frequency and types of speech disfluencies that are produced by bilingual Spanish–English (SE) speaking children who do not stutter. The secondary purpose was to determine whether their disfluent speech is mediated by language dominance and/or language produced. Method Spanish and English narratives (a retell and a tell in each language) were elicited and analyzed relative to the frequency and types of speech disfluencies produced. These data were compared with the monolingual English-speaking guidelines for differential diagnosis of stuttering. Results The mean frequency of stuttering-like speech behaviors in the bilingual SE participants ranged from 3% to 22%, exceeding the monolingual English standard of 3 per 100 words. There was no significant frequency difference in stuttering-like or non-stuttering-like speech disfluency produced relative to the child's language dominance. There was a significant difference relative to the language the child was speaking; all children produced significantly more stuttering-like speech disfluencies in Spanish than in English. Conclusion Results demonstrate that the disfluent speech of bilingual SE children should be carefully considered relative to the complex nature of bilingualism. PMID:25215876

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

Zhang, Xiaoguang; McGuire, Michael A.; Chen, Yong P.

Topological insulators, with characteristic topological surface states, have emerged as a new state of matter with rich potentials for both fundamental physics and device applications. However, the experimental detection of the surface transport has been hampered by the unavoidable extrinsic conductivity associated with the bulk crystals. Here we show that a four-probe transport spectroscopy in a multi-probe scanning tunneling microscopy system can be used to differentiate conductivities from the surface states and the coexisting bulk states in topological insulators. We derive a scaling relation of measured resistance with respect to varying inter-probe spacing for two interconnected conduction channels, which allowsmore » quantitative determination of conductivities from both channels. Using this method, we demonstrate the separation of 2D and 3D conduction in topological insulators by comparing the conductance scaling of Bi 2Se 3, Bi 2Te 2Se, and Sb-doped Bi 2Se 3 with that of a pure 2D conductance of graphene on SiC substrate. We also report the 2D conductance enhancement due to the surface doping effect in topological insulators. This technique can be applied to reveal 2D to 3D crossover of conductance in other complex systems.« less

Complexes of oxovanadium(IV), dioxovanadium(V) and dioxouranium(VI) with aminoacids in aqueous solution

NASA Astrophysics Data System (ADS)

Lagrange, P.; Schneider, M.; Lagrange, J.

1998-11-01

The equilibria between three oxocations (VO2+, VO2+ and UO22+) and several ?- aminoacids (glycine, serine, asparagine, lysine, aspartic acid and glutamic acid) are studied in aqueous solution. Stoichiometry and stability of the complexes formed are determined from a combination of potentiometric and spectroscopic measurements. Solution structures of the different complexes are proposed based on the thermodynamic results. The oxovanadium(IV) complexes appear less stable than the corresponding dioxouranium(VI) and dioxovanadium(V) complexes. VO2+ can be bound to only one ligand to form monodentate or chelate complexes. UO22+ and VO2+ cations may be chelated by one or two ligands. Les équilibres entre trois oxocations, VO2+, VO2+ et UO22+ et plusieurs α-aminoacides, glycine, sérine, asparagine, lysine et acides aspartique et glutamique, sont étudiés en solution aqueuse par potentiométrie couplée à la spectrophotométrie. Les complexes de VO2+ sont moins stables que les complexes de VO2+ et UO22+ de même stoechiométrie. VO2+ ne peut se lier qu'à un seul ligand pour former soit des complexes monodentés, soit des chélates. UO22+ et VO2+ peuvent être chélatés par un ou deux ligands. Des structures hypothétiques en solution sont proposées.

Microfluidic Technology: Uncovering the Mechanisms of Nanocrystal Nucleation and Growth.

PubMed

Lignos, Ioannis; Maceiczyk, Richard; deMello, Andrew J

2017-05-16

The controlled and reproducible formation of colloidal semiconductor nanocrystals (or quantum dots) is of central importance in nanoscale science and technology. The tunable size- and shape-dependent properties of such materials make them ideal candidates for the development of efficient and low-cost displays, solar cells, light-emitting devices, and catalysts. The formidable difficulties associated with the macroscale preparation of semiconductor nanocrystals (possessing bespoke optical and chemical properties) result from the fact that underlying reaction mechanisms are complex and that the reactive environment is difficult to control. Automated microfluidic reactors coupled with monitoring systems and optimization algorithms aim to elucidate complex reaction mechanisms that govern both nucleation and growth of nanocrystals. Such platforms are ideally suited for the efficient optimization of reaction parameters, assuring the reproducible synthesis of nanocrystals with user-defined properties. This Account aims to inform the nanomaterials community about how microfluidic technologies can supplement flask experimentation for the ensemble investigation of formation mechanisms and design of semiconductor nanocrystals. We present selected studies outlining the preparation of quantum dots using microfluidic systems with integrated analytics. Such microfluidic reaction systems leverage the ability to extract real-time information regarding optical, structural, and compositional characteristics of quantum dots during nucleation and growth stages. The Account further highlights our recent research activities focused on the development and application of droplet-based microfluidics with integrated optical detection systems for the efficient and rapid screening of reaction conditions and a better understanding of the mechanisms of quantum dot synthesis. We describe the features and operation of fully automated microfluidic reactors and their subsequent application to high-throughput parametric screening of metal chalcogenides (CdSe, PbS, PbSe, CdSeTe), ternary and core/shell heavy metal-free quantum dots (CuInS 2 , CuInS 2 /ZnS), and all-inorganic perovskite nanocrystals (CsPbX 3 , X = Cl, Br, I) syntheses. Critically, concurrent absorption and photoluminescence measurements on millisecond to second time scales allow the extraction of basic parameters governing nanocrystal formation. Moreover, experimental data obtained from such microfluidic platforms can be directly supported by theoretical models of nucleation and growth. To this end, we also describe the use of metamodeling algorithms able to accurately predict optimized conditions of CdSe synthesis using a minimal number of sample parameters. Importantly, we discuss future challenges that must be addressed before microfluidic technologies are in a position to be widely adopted for the on-demand formation of nanocrystals. From a technology perspective, these challenges include the development of novel engineering platforms for the formation of complex architectures, the integration of monitoring systems able to harvest photophysical and structural information, the incorporation of continuous purification systems, and the application of optimization algorithms to multicomponent quantum dot systems.

Migration of 75Se(IV) in crushed Beishan granite: Effects of the iron content.

PubMed

He, Jiangang; Ma, Bin; Kang, Mingliang; Wang, Chunli; Nie, Zhe; Liu, Chunli

2017-02-15

The diffusion of selenite (labeled with 75 Se) in compacted Beishan granite (BsG) was investigated using the in-diffusion capillary method at pH values from ∼2.0 to ∼11.0 under oxic and anoxic conditions. The results indicate that the apparent diffusion coefficient (D a ) values of selenite in BsG always reached the minimum at approximately pH 5. Unexpectedly, the D a values under oxic conditions are nearly one order of magnitude lower than those under the anoxic conditions. Further characterization reveals the existence of redox-sensitive Fe(II)-containing components, which can be responsible for the great difference in D a values. Fe(2p) X-ray photoelectron spectroscopy (XPS) results show that more Fe(III)-oxyhydroxide coating is formed on the granite's surface under aerobic conditions than is formed under anaerobic conditions. Correspondingly, Se(3d) spectra indicate that more selenium is sorbed under oxic conditions, and the sorbed amount always reached the maximum at pH values from ∼4 to ∼5. A linear combination fit of X-ray absorption near edge structure (XANES) spectroscopy data revealed that Se(0) was formed under anoxic condition and that selenite preferred to form inner-sphere complexes with Fe(III)-oxyhydroxide. Overall, this study indicates that natural Fe-bearing minerals can greatly attenuate selenite diffusion and the retardation would be enhanced under aerobic conditions. Copyright © 2016 Elsevier B.V. All rights reserved.

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

Rettie, Alexander J. E.; Sturza, Mihai; Malliakas, Christos D.

The two-dimensional material KCu 3–xSe 2 was synthesized using both a K 2Se 3 flux and directly from the elements. It crystallizes in the CsAg 3S 2 structure (monoclinic space group C2/m with a = 15.417(3) Å, b = 4.0742(8) Å, c = 8.3190(17) Å, and β = 112.94(3)°), and single-crystal refinement revealed infinite copper-deficient [Cu 3–xSe 2]– layers separated by K + ions. Thermal analysis indicated that KCu 3–xSe 2 melts congruently at ~755 °C. UV–vis spectroscopy showed an optical band gap of ~1.35 eV that is direct in nature, as confirmed by electronic structure calculations. Electronic transport measurementsmore » on single crystals yielded an in-plane resistivity of ~6 × 10 –1 Ω cm at 300 K that has a complex temperature dependence. The results of Seebeck coefficient measurements were consistent with a doped p-type semiconductor (S = +214 μV K –1 at 300 K), with doping being attributed to copper vacancies. Transport is dominated by low-mobility (on the order of 1 cm 2 V –1 s –1) holes caused by relatively flat valence bands with substantial Cu 3d character and a significant concentration of Cu ion vacancy defects (p ~ 10 19 cm –3) in this material. In conclusion, electronic band structure calculations showed that electrons should be significantly more mobile in this structure type.« less

Thermoelectric Generators Based on Ionic Liquids

NASA Astrophysics Data System (ADS)

Laux, Edith; Uhl, Stefanie; Jeandupeux, Laure; López, Pilar Pérez; Sanglard, Pauline; Vanoli, Ennio; Marti, Roger; Keppner, Herbert

2018-03-01

Looking at energy harvesting using body or waste heat for portable electronic or on-board devices, Ionic liquids are interesting candidates as thermoactive materials in thermoelectric generators (TEGs) because of their outstanding properties. Two different kinds of ionic liquid, with alkylammonium and choline as cations, were studied, whereby different anions and redox couples were combined. This study focussed on the intention to find non-hazardous and environmentally friendly ionic liquids for TEGs to be selected among the thousands that can potentially be used. Seebeck coefficients (SEs) as high as - 15 mV/K were measured, in a particular case for an electrode temperature difference of 20 K. The bottleneck of our TEG device is still the abundance of negative SE liquids matching the internal resistance with the existing positive SE-liquids at series connections. In this paper, we show further progress in finding increased negative SE liquids. For current extraction from the TEG, the ionic liquid must be blended with a redox couple, allowing carrier exchange in a cyclic process under a voltage which is incuced by the asymmetry of the generator in terms of hot and cold electrodes. In our study, two types of redox pairs were tested. It was observed that a high SE of an ionic liquid/redox blend is not a sufficient condition for high power output. It appears that more complex effects between the ionic liquid and the electrode determine the magnitude of the final current/power output. The physico-chemical understanding of such a TEG cell is not yet available.

Thermoelectric Generators Based on Ionic Liquids

NASA Astrophysics Data System (ADS)

Laux, Edith; Uhl, Stefanie; Jeandupeux, Laure; López, Pilar Pérez; Sanglard, Pauline; Vanoli, Ennio; Marti, Roger; Keppner, Herbert

2018-06-01

Looking at energy harvesting using body or waste heat for portable electronic or on-board devices, Ionic liquids are interesting candidates as thermoactive materials in thermoelectric generators (TEGs) because of their outstanding properties. Two different kinds of ionic liquid, with alkylammonium and choline as cations, were studied, whereby different anions and redox couples were combined. This study focussed on the intention to find non-hazardous and environmentally friendly ionic liquids for TEGs to be selected among the thousands that can potentially be used. Seebeck coefficients (SEs) as high as - 15 mV/K were measured, in a particular case for an electrode temperature difference of 20 K. The bottleneck of our TEG device is still the abundance of negative SE liquids matching the internal resistance with the existing positive SE-liquids at series connections. In this paper, we show further progress in finding increased negative SE liquids. For current extraction from the TEG, the ionic liquid must be blended with a redox couple, allowing carrier exchange in a cyclic process under a voltage which is incuced by the asymmetry of the generator in terms of hot and cold electrodes. In our study, two types of redox pairs were tested. It was observed that a high SE of an ionic liquid/redox blend is not a sufficient condition for high power output. It appears that more complex effects between the ionic liquid and the electrode determine the magnitude of the final current/power output. The physico-chemical understanding of such a TEG cell is not yet available.

Hybrid nanocomposites of CdSe nanocrystals distributed in complexing thiophene-based copolymers.

PubMed

Aldakov, Dmitry; Jiu, Tonggang; Zagorska, Malgorzata; de Bettignies, Rémi; Jouneau, Pierre-Henri; Pron, Adam; Chandezon, Frédéric

2010-07-21

Two types of conjugated polymers were prepared with the goal to blend them with rod-like CdSe nanocrystals. The polymers of the first type were synthesized through copolymerization of 3-octylthiophene and 3-methylene-ethylcarboxylate-thiophene to give polythiophene with solubilizing alkyl groups and methylene ester functional groups (PE series). Post-polymerization hydrolysis of the ester type polymers yielded acid-type ones (PA series). Photoluminescence (PL) quenching in these polymers induced by their titration with nanocrystals solution was chosen as a measure of the polymer-nanocrystal interactions. PL of polyacids turned out to be more efficiently quenched as compared to the case of polymers with ester groups which was interpreted as an indication of better electronic communication between the hybrid components. Infrared (IR) spectroscopy confirmed efficient coordination of the carboxylic groups to CdSe. Voltammetric studies combined with UV-vis spectroelectrochemistry enabled the determination of energy levels alignment of the molecular composite components which turned out to be of staggered type-appropriate for photovoltaic applications. The obtained blends of polyacids with CdSe nanocrystals, when studied by transmission electron microscopy (TEM), revealed the presence of an interpenetrating network in which nanorods were homogeneously distributed within the polymer matrix without any indication of agglomerates formation both on the film surface and in the cross-section. Blends with polymers containing ester groups were less homogeneous which could be explained by weaker polymer-nanocrystals interactions. Photovoltaic cells based on these hybrid materials are also discussed.

Somatic experiencing: using interoception and proprioception as core elements of trauma therapy

PubMed Central

Payne, Peter; Levine, Peter A.; Crane-Godreau, Mardi A.

2015-01-01

Here we present a theory of human trauma and chronic stress, based on the practice of Somatic Experiencing® (SE), a form of trauma therapy that emphasizes guiding the client's attention to interoceptive, kinesthetic, and proprioceptive experience. SE™ claims that this style of inner attention, in addition to the use of kinesthetic and interoceptive imagery, can lead to the resolution of symptoms resulting from chronic and traumatic stress. This is accomplished through the completion of thwarted, biologically based, self-protective and defensive responses, and the discharge and regulation of excess autonomic arousal. We present this theory through a composite case study of SE treatment; based on this example, we offer a possible neurophysiological rationale for the mechanisms involved, including a theory of trauma and chronic stress as a functional dysregulation of the complex dynamical system formed by the subcortical autonomic, limbic, motor and arousal systems, which we term the core response network (CRN). We demonstrate how the methods of SE help restore functionality to the CRN, and we emphasize the importance of taking into account the instinctive, bodily based protective reactions when dealing with stress and trauma, as well as the effectiveness of using attention to interoceptive, proprioceptive and kinesthetic sensation as a therapeutic tool. Finally, we point out that SE and similar somatic approaches offer a supplement to cognitive and exposure therapies, and that mechanisms similar to those discussed in the paper may also be involved in the benefits of meditation and other somatic practices. PMID:25699005

Evidence for a SN2-type pathway in the exchange of phosphines at a [PhSe]+ centre.

PubMed

Forfar, Laura C; Green, Michael; Haddow, Mairi F; Hussein, Sharifa; Lynam, Jason M; Slattery, John M; Russell, Christopher A

2015-01-07

A range of thio- and seleno-phosphonium cationic complexes [RE(PR'3)](+)[X](-) (R = Me, Ph; E = S, Se; X = GaCl4, SbF6) have been synthesised and structurally characterised. Reaction of [PhSPPh3][GaCl4] and [PhSePPh3][GaCl4] with P(t)Bu3 results in the ready transfer of the "RS(+)" and "RSe(+)" fragments from PPh3 to the stronger electron donor P(t)Bu3. NMR experiments combined with an Eyring analysis on the corresponding degenerate phosphine exchange reaction allowed the thermodynamic values for the phosphine exchange reaction of the sulfur cation (ΔH(‡) 18.7 ± 12.0 kJ mol(-1); ΔS(‡) -99.3 ± 36.3 J mol(-1) K(-1)) to be compared with the corresponding values (ΔH(‡) 2.4 ± 1.1 kJ mol(-1) and ΔS(‡) -58.1 ± 5.0 J mol(-1) K(-1)) for the [PhSePPh3](+) system. Importantly, the large negative entropy of activation and linear dependence on the rate of exchange are compatible with an SN2-type exchange process. This conclusion is supported by DFT calculations which confirm that the phosphine exchange process occurs via an associative mechanism. The rate of exchange was found to increase from sulfur to selenium and those with aryl substituents underwent exchange faster than those with alkyl substituents.

Associations among multiple markers and complex disease: models, algorithms, and applications.

PubMed

Assimes, Themistocles L; Olshen, Adam B; Narasimhan, Balasubramanian; Olshen, Richard A

2008-01-01

This chapter is a report on collaborations among its authors and others over many years. It devolves from our goal of understanding genes, their main and epistatic effects combined with interactions involving demographic and environmental features also, as together they predict genetically complex diseases. Thus, our goal is "association." Particular phenotypes of interest to us are hypertension, insulin resistance, angina, and myocardial infarction. Prediction of complex disease is notoriously difficult, though it would be made easier were we given strand-specific information on genotype. Unfortunately, with current technology, genotypic information comes to us "unphased." While obviously we have strand-specific information when genotype is homozygous, we do not have such information when genotype is heterozygous. To summarize, the ultimate goals of approaches we provide is to predict phenotype, typically untoward or not, within a specific window of time. Our approach is neither through linkage nor from finding haplotype frequencies per se.

SU-E-J-261: Statistical Analysis and Chaotic Dynamics of Respiratory Signal of Patients in BodyFix

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

Michalski, D; Huq, M; Bednarz, G

Purpose: To quantify respiratory signal of patients in BodyFix undergoing 4DCT scan with and without immobilization cover. Methods: 20 pairs of respiratory tracks recorded with RPM system during 4DCT scan were analyzed. Descriptive statistic was applied to selected parameters of exhale-inhale decomposition. Standardized signals were used with the delay method to build orbits in embedded space. Nonlinear behavior was tested with surrogate data. Sample entropy SE, Lempel-Ziv complexity LZC and the largest Lyapunov exponents LLE were compared. Results: Statistical tests show difference between scans for inspiration time and its variability, which is bigger for scans without cover. The same ismore » for variability of the end of exhalation and inhalation. Other parameters fail to show the difference. For both scans respiratory signals show determinism and nonlinear stationarity. Statistical test on surrogate data reveals their nonlinearity. LLEs show signals chaotic nature and its correlation with breathing period and its embedding delay time. SE, LZC and LLE measure respiratory signal complexity. Nonlinear characteristics do not differ between scans. Conclusion: Contrary to expectation cover applied to patients in BodyFix appears to have limited effect on signal parameters. Analysis based on trajectories of delay vectors shows respiratory system nonlinear character and its sensitive dependence on initial conditions. Reproducibility of respiratory signal can be evaluated with measures of signal complexity and its predictability window. Longer respiratory period is conducive for signal reproducibility as shown by these gauges. Statistical independence of the exhale and inhale times is also supported by the magnitude of LLE. The nonlinear parameters seem more appropriate to gauge respiratory signal complexity since its deterministic chaotic nature. It contrasts with measures based on harmonic analysis that are blind for nonlinear features. Dynamics of breathing, so crucial for 4D-based clinical technologies, can be better controlled if nonlinear-based methodology, which reflects respiration characteristic, is applied. Funding provided by Varian Medical Systems via Investigator Initiated Research Project.« less

Dielectric and impedance spectral characteristics of bulk ZnIn2Se4

NASA Astrophysics Data System (ADS)

El-Nahass, M. M.; Attia, A. A.; Salem, G. F.; Ali, H. A. M.; Ismail, M. I.

2014-02-01

The frequency and temperature dependence of ac conductivity, dielectric constant and dielectric loss of ZnIn2Se4 in a pellet form were investigated in the frequency range of 102-106 Hz and temperature range of 293-356 K. The behavior of ac conductivity was interpreted by the correlated barrier hopping (CBH) model. Temperature dependence of ac conductivity indicates that ac conduction is a thermally activated process. The density of localized states N(EF) and ac activation energy were estimated for various frequencies. Dielectric constant and dielectric loss showed a decrease with increasing frequency and an increase with increasing in temperature. The frequency dependence of real and imaginary parts of the complex impedance was investigated. The relaxation time decreases with the increase in temperature. The impedance spectrum exhibits the appearance of the single semicircular arc. The radius of semicircular arcs decreases with increasing temperature which suggests a mechanism of temperature-dependent on relaxation.

Coexistence of multiphase superconductivity and ferromagnetism in lithiated iron selenide hydroxide [(L i1 -xF ex) OH ]FeSe

NASA Astrophysics Data System (ADS)

Urban, Christian; Valmianski, Ilya; Pachmayr, Ursula; Basaran, Ali C.; Johrendt, Dirk; Schuller, Ivan K.

2018-01-01

We present experimental evidence for (a) multiphase superconductivity and (b) coexistence of magnetism and superconductivity in a single structural phase of lithiated iron selenide hydroxide [(L i1 -xF ex )OH]FeSe. Magnetic field modulated microwave spectroscopy data confirms superconductivity with at least two distinct transition temperatures attributed to well-defined superconducting phases at TSC 1=40 ±2 K and TSC 2=35 ±2 K. Magnetometry data for the upper critical fields reveal a change in the magnetic order (TM=12 K) below TSC 1 and TSC 2 that is consistent with ferromagnetism. This occurs because the superconducting coherence length is much smaller than the structural coherence length, allowing for several different electronic and magnetic states on a single crystallite. The results give insight into the physics of complex multinary materials, where several phenomena governed by different characteristic length scales coexist.

Structure, Chemistry and Property Correlations in FeSe and 122 Pnictides

NASA Astrophysics Data System (ADS)

Cava, Robert

2010-03-01

Determining how crystal structure and chemical bonding influence the properties of solids is at the heart of collaborative research programs between materials physicists and solid state chemists. In some materials, the high Tc copper oxides and colossal magnetoresistance manganates, for example, the subtleties of how structure, bonding and properties are coupled yields an almost baffling complexity, while in others, such as many classical intermetallic superconductors, the properties are more easily understood, with bonding and structure playing a less profound role. The new superconducting pnictides appear to fall somewhere between these two limits, and have so far been the subject of relatively little study by solid state chemists. Here I will describe some of our recent work on superconducting FeSe and superconductor-related ``122'' (ThCr2Si2-type) solid solution phases as examples of the kinds of insights that structural and chemical studies can contribute to understanding these important materials.

mTOR-dependent activation of the transcription factor TIF-IA links rRNA synthesis to nutrient availability.

PubMed

Mayer, Christine; Zhao, Jian; Yuan, Xuejun; Grummt, Ingrid

2004-02-15

In cycling cells, transcription of ribosomal RNA genes by RNA polymerase I (Pol I) is tightly coordinated with cell growth. Here, we show that the mammalian target of rapamycin (mTOR) regulates Pol I transcription by modulating the activity of TIF-IA, a regulatory factor that senses nutrient and growth-factor availability. Inhibition of mTOR signaling by rapamycin inactivates TIF-IA and impairs transcription-initiation complex formation. Moreover, rapamycin treatment leads to translocation of TIF-IA into the cytoplasm. Rapamycin-mediated inactivation of TIF-IA is caused by hypophosphorylation of Se 44 (S44) and hyperphosphorylation of Se 199 (S199). Phosphorylation at these sites affects TIF-IA activity in opposite ways, for example, phosphorylation of S44 activates and S199 inactivates TIF-IA. The results identify a new target formTOR-signaling pathways and elucidate the molecular mechanism underlying mTOR-dependent regulation of RNA synthesis.

openSE: a Systems Engineering Framework Particularly Suited to Particle Accelerator Studies and Development Projects

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

Bonnal, P.; Féral, B.; Kershaw, K.

Particle accelerator projects share many characteristics with industrial projects. However, experience has shown that best practice of industrial project management is not always well suited to particle accelerator projects. Major differences include the number and complexity of technologies involved, the importance of collaborative work, development phases that can last more than a decade, and the importance of telerobotics and remote handling to address future preventive and corrective maintenance requirements due to induced radioactivity, to cite just a few. The openSE framework it is a systems engineering and project management framework specifically designed for scientific facilities’ systems and equipment studies andmore » development projects. Best practices in project management, in systems and requirements engineering, in telerobotics and remote handling and in radiation safety management were used as sources of inspiration, together with analysis of current practices surveyed at CERN, GSI and ESS.« less

Aggregation of trypsin and trypsin inhibitor by Al cation.

PubMed

Chanphai, P; Kreplak, L; Tajmir-Riahi, H A

2017-04-01

Al cation may trigger protein structural changes such as aggregation and fibrillation, causing neurodegenerative diseases. We report the effect of Al cation on the solution structures of trypsin (try) and trypsin inhibitor (tryi), using thermodynamic analysis, UV-Visible, Fourier transform infrared (FTIR) spectroscopic methods and atomic force microscopy (AFM). Thermodynamic parameters showed Al-protein bindings occur via H-bonding and van der Waals contacts for trypsin and trypsin inhibitor. AFM showed that Al cations are able to force trypsin into larger or more robust aggregates than trypsin inhibitor, with trypsin 5±1 SE (n=52) proteins per aggregate and for trypsin inhibitor 8.3±0.7 SE (n=118). Thioflavin T test showed no major protein fibrillation in the presence of Al cation. Al complexation induced more alterations of trypsin inhibitor conformation than trypsin. Copyright © 2017 Elsevier B.V. All rights reserved.

Phenomenal enhancement of optical nonlinearity in PTZ-I based ZnS/ZnSe nanocomposites

NASA Astrophysics Data System (ADS)

Divyasree, M. C.; Shiju, E.; Vijisha, M. V.; Ramesan, M. T.; Chandrasekharan, K.

2018-05-01

The enhanced nonlinear optical properties of phenothiazine-iodine (PTZ-I) charge transfer complex (CTC) on composite formation with ZnS/ZnSe nanostructures are reported. The interaction between the components was confirmed by the FTIR spectra. Structural and morphological changes on nanocomposite formation were analyzed by scanning electron microscopy and X-ray diffraction spectra. The absorption and emission features of both the nanocomposites and their constituent components were studied. Nonlinear optical properties of all the samples in nanosecond regime were investigated by the Z-scan technique using Nd: YAG laser with 532 nm wavelength and 7 ns pulse width. The optical nonlinearity of PTZ-I CTC was found to be improved considerably on composite formation and the new systems can be proposed as excellent candidates for photonic devices. Enhanced optical nonlinearity of the composites could be attributed to charge/energy transfer mechanism between PTZ-I CTC and the nanostructures.

A new hexanuclear iron-selenium nitrosyl cluster: primary exploration of the preparation methods, structure, and spectroscopic and electrochemical properties.

PubMed

Wang, Rongming; Xu, Wei; Zhang, Jian; Li, Lijuan

2010-06-07

A new hexanuclear iron-selenium nitrosyl cluster, [(n-Bu)(4)N](2)[Fe(6)Se(6)(NO)(6)] (1), and a hexanuclear iron-sulfur nitrosyl cluster, [(n-Bu)(4)N](2)[Fe(6)S(6)(NO)(6)] (2), were synthesized by the solvent-thermal reactions of [(n-Bu)(4)N][Fe(CO)(3)NO] with selenium or sulfur in methanol, while a tetranuclear iron-sulfur nitrosyl cluster, (Me(4)N)[Fe(4)S(3)(NO)(7)] (3), was also prepared by the solvent-thermal reaction of FeCl(2).4H(2)O with thiourea in the presence of (CH(3))(4)NCl, NaNO(2), and methanol. Complexes 1-3 were characterized by IR, UV-vis, (1)H NMR, electrochemistry, and single-crystal X-ray diffraction analysis. IR spectra of complexes 1 and 2 show the characteristic NO stretching frequencies at 1694 and 1698 cm(-1), respectively, while the absorptions of complex 3 appear at 1799, 1744, and 1710 cm(-1). The UV-vis spectra of complexes 1-3 show different bands in the range of 259-562 nm, which are assigned to the transitions between orbitals delocalized over the Fe-S cluster, the ligand-to-metal charge transfer, pi*(NO)-d(Fe), and the metal-to-ligand charge transfer, d(Fe)-pi*(NO). Single-crystal X-ray structural analysis reveals that complex 1 crystallizes in the monoclinic P2(1)/n space group with two molecules per unit cell. Two parallel "chair-shaped" structures, consisting of three iron and three selenium atoms, are connected by Fe-Se bonds with an average distance of 2.341 A; each iron center is bonded to three selenium atoms and a nitrogen atom from the nitrosyl ligand with a pseudotetrahedral center geometry. Cyclic voltammograms of complexes 1 and 2 display two cathodic and three anodic current peaks with an unusually strong cathodic peak. Further electrochemical investigations demonstrated that the intensity of the unusually strong peak is a result of at least three processes. One is the quasi-reversible reduction, and the other two are from an irreversible electrochemical process, in which the compound goes through a typical electron transfer and chemical reaction mechanism. Compound 3 shows three quasi-reversible reductions.

Significance of the whole rock Re-Os ages in cryptically and modally metasomatised cratonic peridotites: Constraints from HSE-Se-Te systematics

NASA Astrophysics Data System (ADS)

Luguet, Ambre; Behrens, Melanie; Pearson, D. Graham; König, Stephan; Herwartz, Daniel

2015-09-01

The Re-Os isotopic system is the geochronometer of choice to constrain the timing of lithospheric mantle root formation and reconstruct the evolution of Earth's dynamics from the "mantle" perspective. In order to constrain the effects of metasomatic processes on the Re-Os isotopic system, eleven peridotites from the Letlhakane kimberlite pipe were investigated for whole rock major and trace elements, highly siderophile elements (HSE), Se, Te and 187Os/188Os signatures. These spinel peridotites (SP), garnet peridotites (GP), garnet-phlogopite peridotites (GPP) and phlogopite peridotites (PP) experienced cryptic metasomatism and the GP-GPP-PP additionally constitute a sequence of increasing modal metasomatism. The cryptically metasomatised SP appear devoid of base metal sulphides (BMS) and show suprachondritic Se/Te ratios (15-40) and extremely Pd- and Pt-depleted HSE patterns. These features are characteristic of high-degree partial melting residues. Their 187Os/188Os signatures are thus considered to be inherited from the partial melting event. This implies a Neoarchean (2.5-2.8 Ga, TRD eruption) stabilisation of the Letlhakane mantle root and supports the Letlhakane mantle root being a westerly extension of the Zimbabwe cratonic root. The modally metasomatised peridotites contain BMS whose abundance significantly increases from the GPP to the GP and PP. The BMS-poor GPP are only slightly richer in Pt and Pd than the BMS-free SP but have similarly high Se/Te ratios. The BMS-rich GP and PP exhibit significant enrichments in Pt, Pd, Se, Te resulting in HSE-Se-Te signatures similar to that of the Primitive Upper Mantle (PUM). Addition of 0.001-0.05 wt.% metasomatic BMS ± PGM (platinum group minerals, i.e., Pt-tellurides) to highly refractory residues, such as the Letlhakane SP, reproduce well the HSE-Se-Te systematics observed in the BMS-poor and BMS-rich modally metasomatised peridotites. In the GPP, the negligible addition of metasomatic BMS ± PGM did not disturb the 187Os/188Os signatures, indicating TRD eruption ages identical with those of the SP. By contrast, the PP and GP, which suffered significant BMS ± PGM addition, have 187Os/188Os considerably shifted toward more radiogenic values. As a result, unrealistically young TRD eruption ages are obtained that cannot be used to constrain the time frame of the stabilisation of the cratonic roots and the mechanisms of craton formation. The Se-Te and incompatible HSE (i.e., Pt, Pd) are powerful geochemical tools to assess the robustness of the Re-Os isotopic system in mantle peridotites. Specifically, Se/Te and Pd/Ir ratios provide complementary insights into the complex metasomatic history of mantle peridotites. The Se/Te ratio is very sensitive to Os-free PGM metasomatism producing highly variable Se/Te >15 at low, relatively constant Pd/Ir< 0.4 but does not affect the 187Os/188Os systematics. This contrasts with BMS metasomatism, where Pd/Ir becomes more variable (>0.4), at constant but low Se/Te <10 and which is accompanied by modification of the Os isotopic composition of the host peridotite. As they are sensitive indicators of BMS ± PGM metasomatism, HSE, Se and Te should be systematically considered when investigating the timing of stabilisation of lithospheric mantle and its petrogenetic history. This would allow a more robust assessment of the Re-Os ages obtained and provide firmer constraints on the evolution and formation of Archean cratons and early Earth dynamics.

Stretching of Hot Lithosphe: A Significant Mode of Crustal Stretching in Southeast Asia

NASA Astrophysics Data System (ADS)

de Montserrat Navarro, A.; Morgan, J. P.; Hall, R.; White, L. T.

2017-12-01

SE Asia roughly covers roughly 15% of the Earth's surface and represents one of the most tectonically active regions in the world, yet its tectonic evolution remains relatively poorly studied and constrained in comparison with other regions. Recent episodes of extension have been associated with sedimentary basin growth and phases of crustal melting, uplift and extremely rapid exhumation of young (<7Ma) metamorphic core complexes. This is recorded by seismic imagery of basins offshore Sulawesi and New Guinea as well as through new field studies of the onshore geology in these regions. A growing body of new geochronological and biostratigraphic data provides some control on the rates of processes. We use two-dimensional numerical models to investigate the evolution of the distinctive extensional basins in SE Asia. Our models suggest that, at the onset of stretching, the lithosphere was considerably hotter than in more typically studied rift settings (e.g. Atlantic opening, East African Rift, Australia-Antarctica opening). High Moho temperatures are key in shaping the architecture of the stretched lithosphere: A) hot and week lower crust fails to transmit the stress and brittle deformation, thus resulting in a strong decoupling between crust and lithospheric mantle; B) the mode of deformation is dominated by the ductile flow and boudinage of lower crust, yielding the exhumation of one-to-several partially molten lower crustal bodies, including metamorphic core complexes; C) continental break-up is often inhibited by the ductile behaviour of the crust, and it is only achieved after considerable cooling of the lithosphere. To better constrain the extension rates in which these basins formed, we compare P-T and cooling paths of lower crustal material in a suite of models with newly available data from the Palu and Malino metamorphic core complexes in Sulawesi, Indonesia.

Model identification and control of development of deeply buried paleokarst reservoir in the central Tarim Basin, northwest China

NASA Astrophysics Data System (ADS)

Yu, Jingbo; Li, Zhong; Yang, Liu; Han, Yinxue

2018-04-01

The paleokarst reservoirs of the Ordovician Yingshan formation, rich in oil and gas, are deeply buried in the central Tarim Basin, northwest China. Dozens of imaging well-logs in this region reveal five typical paleokarst features, including solution vugs, solution-enlarged fractures, filled caves, unfilled caves and collapsed caves, as well as two typical paleokarst structures located in different paleotopographic sites, including paleokarst vadose and phreatic zones. For seismic data, the large wave impedance contrast between the paleocave system and the surrounding rocks leads to a strong seismic reflection, which is highlighted as a bead-like ‘bright spot’ in a seismic section. By quantitatively estimating the seismic resolution limits of deep seismic reflections, a single paleocave cannot be identified from a seismic profile, and the bead-like reflection represents an entire paleocave complex. The spectral decomposition technique was employed to depict the planar shape and semi-quantitatively measure the size of the paleocave complexes. The results indicate that the sizes of the paleokarst caves are all small, and most of the karst caves are nearly completely filled by clay and calcite. The small cave size and the effective support of cave fills for the overlying strata mean that some individual paleocaves in a paleocave complex are preserved at a burial depth of more than 6000 m. Paleotopography and faults strongly impact the distribution of paleokarst reservoirs. Well-developed paleokarst reservoirs are generally located in paleotopographic highlands and on slopes, and for a specific paleotopographic site, the distribution of paleokarst reservoirs is obviously controlled by NW-SE trending faults. The most favorable area for paleokarst development is the Tazhong No. 10 fault zone, a faulted anticline bounded by two NW-SE trending back thrusts.

Bis(2,1,3-benzoselenadiazole-κN)dibromidocopper(II)

PubMed Central

Fun, Hoong-Kun; Goh, Jia Hao; Maity, Annada C.; Goswami, Shyamaprosad

2011-01-01

In the title complex, [CuBr2(C6H4N2Se)2], the CuII ion is tetra­coordinated by two bromide anions and two N atoms in a distorted square-planar geometry. The two essentially planar 2,1,3-benzoselenadiazole ligands [maximum deviations = 0.012 (2) and 0.030 (2) Å] are approximately coplanar [dihedral angle = 6.14 (6)°]. In the crystal, short inter­molecular Se⋯Br, Se⋯N and N⋯N inter­actions are observed. These short inter­actions and inter­molecular C—H⋯Br hydrogen bonds link the complex mol­ecules into two-dimensional arrays parallel to the ac plane. PMID:21522854

Cueva Antón: A multi-proxy MIS 3 to MIS 5a paleoenvironmental record for SE Iberia

NASA Astrophysics Data System (ADS)

Zilhão, João; Ajas, Aurélie; Badal, Ernestina; Burow, Christoph; Kehl, Martin; López-Sáez, José Antonio; Pimenta, Carlos; Preece, Richard C.; Sanchis, Alfred; Sanz, Montserrat; Weniger, Gerd-Christian; White, Dustin; Wood, Rachel; Angelucci, Diego E.; Villaverde, Valentín; Zapata, Josefina

2016-08-01

Overlying a palustrine deposit of unknown age (complex FP), and protected from weathering and erosion inside a large cave/rock-shelter cavity, the sedimentary fill of Cueva Antón, a Middle Paleolithic site in SE Spain, corresponds in most part (sub-complexes AS2-to-AS5) to a ca.3 m-thick Upper Pleistocene terrace of the River Mula. Coupled with the constraints derived from the deposit's paleoclimatic proxies, OSL dating places the accumulation of this terrace in MIS 5a, and radiocarbon dates from the overlying breccia cum alluvium (sub-complex AS1) fall in the middle part of MIS 3; the intervening hiatus relates to valley incision and attendant erosion. The two intervals represented remain largely unknown in Iberia, where the archeology of the early-to-middle Upper Pleistocene is almost entirely derived from karst sites; Cueva Antón shows that this dearth of data, often interpreted in demographic terms, has depositional underpinnings ultimately determined by past climate variation. In early MIS 5a, the paleobotanical evidence indicates climate conditions similar to present, albeit wetter, followed by progressive cooling, reflected in the replacement of Aleppo pine by black pine and, at the very end, juniper-dominated landscapes - the latter characterizing also mid-MIS 3 times. The variation in sedimentary facies and composition of the mollusk assemblages reflects the changing position of the river channel relative to the back wall of the cave. Such changes represented the major constraint for the occupation of the site - most of the time inaccessible to terrestrial mammals, it was used throughout by the eagle-owl, explaining the abundance of rabbit bones. Human occupation occurred during a few, short windows of availability, and is reflected in well-preserved living floors defined by hearths, artefact scatters, and the remains of hunted herbivores. The stone tool assemblages are Middle Paleolithic, which, in Europe, implies a Neandertal identity for their makers and, hence, that Neandertals persisted in the region until GI 8. Cueva Antón's high-resolution record provides unique, critical information on the paleoenvironments and adaptations of humans in two short windows of time during which wetter conditions existed in SE Iberia, where arid or semi-arid climates prevailed through most of the Upper Pleistocene and the Holocene.

Rapid thermal processing for production of chalcopyrite thin films for solar cells: Design, analysis, and experimental implementation

NASA Astrophysics Data System (ADS)

Lovelett, Robert J.

The direct conversion of solar energy to electricity, or photovoltaic energy conversion, has a number of environmental, social, and economic advantages over conventional electricity generation from fossil fuels. Currently, the most commonly-used material for photovoltaics is crystalline silicon, which is now produced at large scale and silicon-based devices have achieved power conversion efficiencies over 25% However, alternative materials, such as inorganic thin films, offer a number of advantages including the potential for lower manufacturing costs, higher theoretical efficiencies, and better performance in the field. One of these materials is the chalcopyrite Cu(InGa)(SeS) 2, which has demonstrated module efficiencies over 17% and cell efficiencies over 22%. Cu(InGa)(SeS)2 is now in the early stages of commercialization using a precursor reaction process referred to as a "selenization/sulfization" reaction. The precursor reaction process is promising because it has demonstrated high efficiency along with the large area (approximately 1 m2) uniformity that is required for modules. However, some challenges remain that limit the growth of the chalcopyrite solar cell industry including: slow reactions that limit process throughput, a limited understanding of complex reaction kinetics and transport phenomena that affect the through-film composition, and the use of highly toxic H2Se in the reaction process. In this work, I approach each of these challenges. First, to improve process throughput, I designed and implemented a rapid thermal processing (RTP) reactor, whereby the samples are heated by a 1000 W quartz-halogen lamp that is capable of fast temperature ramps and high temperature dwells. With the reactor in place, however, achieving effective temperature control in the thin film material system is complicated by two intrinsic process characteristics: (i) the temperature of the Cu(InGa)(SeS)2 film cannot be measured directly, which leaves the system without complete state feedback; and (ii), the process is significantly nonlinear due to the dominance of radiative heat transfer at high temperatures. Therefore, I developed a novel control system using a first principles-based observer and a specialized temperature controller. Next, to understand the complex kinetics governing the selenization/sulfization processes, a stochastic model of solid state reaction kinetics was developed and applied to the system. The model is capable of predicting several important phenomena observed experimentally, including steep through-film gradients in gallium mole fraction. Furthermore, the model is mathematically general and can be useful for understanding a number of solid state reaction systems. Finally, the RTP system was then used to produce and characterize chalcopyrite films using two general methods: (i) single stage and multi stage reactions in H2Se and H2S, and (ii), reaction of a selenium "capped" precursor in H2S, where selenium was deposited on the precursor by thermal evaporation and the use of toxic H2Se was avoided. It was found that the processing conditions could be used to control material properties including relative sulfur incorporation, crystallinity, and through-film gallium and sulfur profiles. Films produced using the selenium-capped precursor reaction process were used to fabricate solar cell devices using a Mo/Cu(InGa)(SeS)2/CdS/ZnO/ITO substrate device structure, and the devices were tested by measuring the current-voltage characteristic under standard conditions. Devices with approximately 10% efficiency were obtained over a range of compositions and the best device obtained in this work had an efficiency of 12.7%.

Quantum chemistry of the minimal CdSe clusters

NASA Astrophysics Data System (ADS)

Yang, Ping; Tretiak, Sergei; Masunov, Artëm E.; Ivanov, Sergei

2008-08-01

Colloidal quantum dots are semiconductor nanocrystals (NCs) which have stimulated a great deal of research and have attracted technical interest in recent years due to their chemical stability and the tunability of photophysical properties. While internal structure of large quantum dots is similar to bulk, their surface structure and passivating role of capping ligands (surfactants) are not fully understood to date. We apply ab initio wavefunction methods, density functional theory, and semiempirical approaches to study the passivation effects of substituted phosphine and amine ligands on the minimal cluster Cd2Se2, which is also used to benchmark different computational methods versus high level ab initio techniques. Full geometry optimization of Cd2Se2 at different theory levels and ligand coverage is used to understand the affinities of various ligands and the impact of ligands on cluster structure. Most possible bonding patterns between ligands and surface Cd/Se atoms are considered, including a ligand coordinated to Se atoms. The degree of passivation of Cd and Se atoms (one or two ligands attached to one atom) is also studied. The results suggest that B3LYP/LANL2DZ level of theory is appropriate for the system modeling, whereas frequently used semiempirical methods (such as AM1 and PM3) produce unphysical results. The use of hydrogen atom for modeling of the cluster passivating ligands is found to yield unphysical results as well. Hence, the surface termination of II-VI semiconductor NCs with hydrogen atoms often used in computational models should probably be avoided. Basis set superposition error, zero-point energy, and thermal corrections, as well as solvent effects simulated with polarized continuum model are found to produce minor variations on the ligand binding energies. The effects of Cd-Se complex structure on both the electronic band gap (highest occupied molecular orbital-lowest unoccupied molecular orbital energy difference) and ligand binding energies are systematically examined. The role played by positive charges on ligand binding is also explored. The calculated binding energies for various ligands L are found to decrease in the order OPMe3>OPH3>NH2Me>=NH3>=NMe3>PMe3>PH3 for neutral clusters and OPMe3>OPH3>PMe3>=NMe3>=NH2Me>=NH3>PH3 and OPMe3>OPH3>NH2Me>=NMe3>=PMe3>=NH3>PH3 for single and double ligations of positively charged Cd2Se22+ cluster, respectively.

Prospects of molybdenum and rhenium octahedral cluster complexes as X-ray contrast agents.

PubMed

Krasilnikova, Anna A; Shestopalov, Michael A; Brylev, Konstantin A; Kirilova, Irina A; Khripko, Olga P; Zubareva, Kristina E; Khripko, Yuri I; Podorognaya, Valentina T; Shestopalova, Lidiya V; Fedorov, Vladimir E; Mironov, Yuri V

2015-03-01

Investigation of new X-ray contrast media for radiography is an important field of science since discovering of X-rays in 1895. Despite the wide diversity of available X-ray contrast media the toxicity, especially nephrotoxicity, is still a big problem to be solved. The octahedral metal-cluster complexes of the general formula [{M6Q8}L6] can be considered as quite promising candidates for the role of new radiocontrast media due to the high local concentration of heavy elements, high tuning ability of ligand environment and low toxicity. To exemplify this, the X-ray computed tomography experiments for the first time were carried out on some octahedral cluster complexes of molybdenum and rhenium. Based on the obtained data it was proposed to investigate the toxicological proprieties of cluster complex Na2H8[{Re6Se8}(P(CH2CH2CONH2)(CH2CH2COO)2)6]. Observed low cytotoxic and acute toxic effects along with rapid renal excretion of the cluster complex evidence its perspective as an X-ray contrast media for radiography. Copyright © 2014 Elsevier Inc. All rights reserved.

Comparative Genotypes, Staphylococcal Cassette Chromosome mec (SCCmec) Genes and Antimicrobial Resistance amongst Staphylococcus epidermidis and Staphylococcus haemolyticus Isolates from Infections in Humans and Companion Animals.

PubMed

McManus, Brenda A; Coleman, David C; Deasy, Emily C; Brennan, Gráinne I; O' Connell, Brian; Monecke, Stefan; Ehricht, Ralf; Leggett, Bernadette; Leonard, Nola; Shore, Anna C

2015-01-01

This study compares the characteristics of Staphylococcus epidermidis (SE) and Staphylococcus haemolyticus (SH) isolates from epidemiologically unrelated infections in humans (Hu) (28 SE-Hu; 8 SH-Hu) and companion animals (CpA) (12 SE-CpA; 13 SH-CpA). All isolates underwent antimicrobial susceptibility testing, multilocus sequence typing and DNA microarray profiling to detect antimicrobial resistance and SCCmec-associated genes. All methicillin-resistant (MR) isolates (33/40 SE, 20/21 SH) underwent dru and mecA allele typing. Isolates were predominantly assigned to sequence types (STs) within a single clonal complex (CC2, SE, 84.8%; CC1, SH, 95.2%). SCCmec IV predominated among MRSE with ST2-MRSE-IVc common to both Hu (40.9%) and CpA (54.5%). Identical mecA alleles and nontypeable dru types (dts) were identified in one ST2-MRSE-IVc Hu and CpA isolate, however, all mecA alleles and 2/4 dts detected among 18 ST2-MRSE-IVc isolates were closely related, sharing >96.5% DNA sequence homology. Although only one ST-SCCmec type combination (ST1 with a non-typeable [NT] SCCmec NT9 [class C mec and ccrB4]) was common to four MRSH-Hu and one MRSH-CpA, all MRSH isolates were closely related based on similar STs, SCCmec genes (V/VT or components thereof), mecA alleles and dts. Overall, 39.6% of MR isolates harbored NT SCCmec elements, and ACME was more common amongst MRSE and CpA isolates. Multidrug resistance (MDR) was detected among 96.7% of isolates but they differed in the prevalence of specific macrolide, aminoglycoside and trimethoprim resistance genes amongst SE and SH isolates. Ciprofloxacin, rifampicin, chloramphenicol [fexA, cat-pC221], tetracycline [tet(K)], aminoglycosides [aadD, aphA3] and fusidic acid [fusB] resistance was significantly more common amongst CpA isolates. SE and SH isolates causing infections in Hu and CpA hosts belong predominantly to STs within a single lineage, harboring similar but variable SCCmec genes, mecA alleles and dts. Host and staphylococcal species-specific characteristics were identified in relation to antimicrobial resistance genes and phenotypes, SCCmec and ACME.

Comparative Genotypes, Staphylococcal Cassette Chromosome mec (SCCmec) Genes and Antimicrobial Resistance amongst Staphylococcus epidermidis and Staphylococcus haemolyticus Isolates from Infections in Humans and Companion Animals

PubMed Central

McManus, Brenda A.; Coleman, David C.; Deasy, Emily C.; Brennan, Gráinne I.; O’ Connell, Brian; Monecke, Stefan; Ehricht, Ralf; Leggett, Bernadette; Leonard, Nola; Shore, Anna C.

2015-01-01

This study compares the characteristics of Staphylococcus epidermidis (SE) and Staphylococcus haemolyticus (SH) isolates from epidemiologically unrelated infections in humans (Hu) (28 SE-Hu; 8 SH-Hu) and companion animals (CpA) (12 SE-CpA; 13 SH-CpA). All isolates underwent antimicrobial susceptibility testing, multilocus sequence typing and DNA microarray profiling to detect antimicrobial resistance and SCCmec-associated genes. All methicillin-resistant (MR) isolates (33/40 SE, 20/21 SH) underwent dru and mecA allele typing. Isolates were predominantly assigned to sequence types (STs) within a single clonal complex (CC2, SE, 84.8%; CC1, SH, 95.2%). SCCmec IV predominated among MRSE with ST2-MRSE-IVc common to both Hu (40.9%) and CpA (54.5%). Identical mecA alleles and nontypeable dru types (dts) were identified in one ST2-MRSE-IVc Hu and CpA isolate, however, all mecA alleles and 2/4 dts detected among 18 ST2-MRSE-IVc isolates were closely related, sharing >96.5% DNA sequence homology. Although only one ST-SCCmec type combination (ST1 with a non-typeable [NT] SCCmec NT9 [class C mec and ccrB4]) was common to four MRSH-Hu and one MRSH-CpA, all MRSH isolates were closely related based on similar STs, SCCmec genes (V/VT or components thereof), mecA alleles and dts. Overall, 39.6% of MR isolates harbored NT SCCmec elements, and ACME was more common amongst MRSE and CpA isolates. Multidrug resistance (MDR) was detected among 96.7% of isolates but they differed in the prevalence of specific macrolide, aminoglycoside and trimethoprim resistance genes amongst SE and SH isolates. Ciprofloxacin, rifampicin, chloramphenicol [fexA, cat-pC221], tetracycline [tet(K)], aminoglycosides [aadD, aphA3] and fusidic acid [fusB] resistance was significantly more common amongst CpA isolates. SE and SH isolates causing infections in Hu and CpA hosts belong predominantly to STs within a single lineage, harboring similar but variable SCCmec genes, mecA alleles and dts. Host and staphylococcal species-specific characteristics were identified in relation to antimicrobial resistance genes and phenotypes, SCCmec and ACME. PMID:26379051

Similarity, not complexity, determines visual working memory performance.

PubMed

Jackson, Margaret C; Linden, David E J; Roberts, Mark V; Kriegeskorte, Nikolaus; Haenschel, Corinna

2015-11-01

A number of studies have shown that visual working memory (WM) is poorer for complex versus simple items, traditionally accounted for by higher information load placing greater demands on encoding and storage capacity limits. Other research suggests that it may not be complexity that determines WM performance per se, but rather increased perceptual similarity between complex items as a result of a large amount of overlapping information. Increased similarity is thought to lead to greater comparison errors between items encoded into WM and the test item(s) presented at retrieval. However, previous studies have used different object categories to manipulate complexity and similarity, raising questions as to whether these effects are simply due to cross-category differences. For the first time, here the relationship between complexity and similarity in WM using the same stimulus category (abstract polygons) are investigated. The authors used a delayed discrimination task to measure WM for 1-4 complex versus simple simultaneously presented items and manipulated the similarity between the single test item at retrieval and the sample items at encoding. WM was poorer for complex than simple items only when the test item was similar to 1 of the encoding items, and not when it was dissimilar or identical. The results provide clear support for reinterpretation of the complexity effect in WM as a similarity effect and highlight the importance of the retrieval stage in governing WM performance. The authors discuss how these findings can be reconciled with current models of WM capacity limits. (c) 2015 APA, all rights reserved).

Federal Aviation Administration Aviation System Capital Investment Plan 1993

DTIC Science & Technology

1993-12-01

Facilitates full use of terminal airspace capacity. 0 Increases safety and efficiency. 62-21 Airport Surface Traffic 0 Optimizes sequencing and...installation of tower control computer complexes (TCCCs) in se- 0 AAS software for terminal and en route ATC lected airport traffic control towers. TCCCs...project provides economical ASR-4/5/6, and install 40 ASR-9s at radar service at airports with air traffic densi- ASR-4/5/6 sites). ties high enough to

Environmental Fate of a Complex Mixture, Creosote, in Two Species of Fish

DTIC Science & Technology

1994-04-01

tissues, such as edible flesh and ovary [23, 71]. English sole hepatocytes do not form significant amounts of sulfate conjugates of BaP phenols (Figures...Gladys Yanagida (technical support), Dr. Mary Arkoosh for the gift of rainbow trout, Mr. Herb Sanborn for collection of English sole and Eagle Harbor...Research, 265, 223-236. 2. Giddings, J.M., Herbes , S.E., and Gehrs, C.W., (1985) Coal liquefaction products. Environmental Science & Technology, 19, 14-18

Redox Transformations of As and Se at the Surfaces of Natural and Synthetic Ferric Nontronites: Role of Structural and Adsorbed Fe(II)

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

Ilgen, Anastasia G.; Kruichak, Jessica N.; Artyushkova, Kateryna

Adsorption and redox transformations on clay mineral surfaces are prevalent in surface environments. We examined the redox reactivity of iron Fe(II)/Fe(III) associated with natural and synthetic ferric nontronites. Specifically, we assessed how Fe(II) residing in the octahedral sheets, or Fe(II) adsorbed at the edge sites alters redox activity of nontronites. To probe the redox activity we used arsenic (As) and selenium (Se). Activation of both synthetic and natural ferric nontronites was. observed following the introduction of Fe(II) into predominantly-Fe(III) octahedral sheets or through the adsorption of Fe(II) onto the mineral surface. The oxidation of As(III) to As(V) was observed viamore » catalytic (oxic conditions) and, to a lesser degree, via direct (anoxic conditions) pathways. We provide experimental evidence for electron transfer from As(III) to Fe(111) at the natural and synthetic nontronite surfaces, and illustrate that only a fraction of structural Fe(III) is accessible for redox transformations. We show that As adsorbed onto natural and synthetic nontronites forms identical adsorption complexes, namely inner-sphere binuclear bidentate. In conclusion, we show that the formation of an inner-sphere adsorption complex may be a necessary step for the redox transformation via catalytic or direct oxidation pathways.« less

Redox Transformations of As and Se at the Surfaces of Natural and Synthetic Ferric Nontronites: Role of Structural and Adsorbed Fe(II)

DOE PAGES

Ilgen, Anastasia G.; Kruichak, Jessica N.; Artyushkova, Kateryna; ...

2017-08-29

Adsorption and redox transformations on clay mineral surfaces are prevalent in surface environments. We examined the redox reactivity of iron Fe(II)/Fe(III) associated with natural and synthetic ferric nontronites. Specifically, we assessed how Fe(II) residing in the octahedral sheets, or Fe(II) adsorbed at the edge sites alters redox activity of nontronites. To probe the redox activity we used arsenic (As) and selenium (Se). Activation of both synthetic and natural ferric nontronites was. observed following the introduction of Fe(II) into predominantly-Fe(III) octahedral sheets or through the adsorption of Fe(II) onto the mineral surface. The oxidation of As(III) to As(V) was observed viamore » catalytic (oxic conditions) and, to a lesser degree, via direct (anoxic conditions) pathways. We provide experimental evidence for electron transfer from As(III) to Fe(111) at the natural and synthetic nontronite surfaces, and illustrate that only a fraction of structural Fe(III) is accessible for redox transformations. We show that As adsorbed onto natural and synthetic nontronites forms identical adsorption complexes, namely inner-sphere binuclear bidentate. In conclusion, we show that the formation of an inner-sphere adsorption complex may be a necessary step for the redox transformation via catalytic or direct oxidation pathways.« less

Defects in Mitochondrial Fatty Acid Synthesis Result in Failure of Multiple Aspects of Mitochondrial Biogenesis in Saccharomyces cerevisiae

PubMed Central

Kursu, V. A. Samuli; Pietikäinen, Laura P.; Fontanesi, Flavia; Aaltonen, Mari J.; Suomi, Fumi; Nair, Remya Raghavan; Schonauer, Melissa S.; Dieckmann, Carol L.; Barrientos, Antoni; Hiltunen, J. Kalervo; Kastaniotis, Alexander J.

2014-01-01

Summary Mitochondrial fatty acid synthesis (mtFAS) shares acetyl-CoA with the Krebs cycle as a common substrate and is required for the production of octanoic acid (C8) precursors of lipoic acid (LA) in mitochondria. MtFAS is a conserved pathway essential for respiration. In a genetic screen in Saccharomyces cerevisiae designed to further elucidate the physiological role of mtFAS, we isolated mutants with defects in mitochondrial post-translational gene expression processes, indicating a novel link to mitochondrial gene expression and respiratory chain biogenesis. In our ensuing analysis, we show that mtFAS, but not lipoylation per se, is required for respiratory competence. We demonstrate that mtFAS is required for mRNA splicing, mitochondrial translation and respiratory complex assembly, and provide evidence that not LA per se, but fatty acids longer than C8 play a role in these processes. We also show that mtFAS- and LA-deficient strains suffer from a mild heme deficiency that may contribute to the respiratory complex assembly defect. Based on our data and previously published information, we propose a model implicating mtFAS as a sensor for mitochondrial acetyl-CoA availability and a coordinator of nuclear and mitochondrial gene expression by adapting the mitochondrial compartment to changes in the metabolic status of the cell. PMID:24102902

Influence of the interaction between the inter- and intragranular magnetic responses in the analysis of the ac susceptibility of a granular FeSe0.5Te0.5 superconductor

NASA Astrophysics Data System (ADS)

Mancusi, D.; Polichetti, M.; Cimberle, M. R.; Pace, S.

2015-09-01

The temperature-dependent fundamental ac susceptibility of a granular superconductor in the absence of dc fields has been analyzed by developing a phenomenological model for effective magnetic fields, taking into account the influence of the magnetic interaction between the intergranular and the intragranular magnetizations due to demagnetizing effects. For this purpose a policrystal Fe-based superconductor FeSe0.5Te0.5 sample has been studied. By the frequency dependence of the peaks of the temperature-dependent imaginary part of the fundamental complex susceptibility, the dependence on temperature of the characteristic times both for intergranular and intragranular relaxations of magnetic flux are derived, and the corresponding relaxation processes due to combinations of the flux creep, the flux flow and the thermally activated flux flow regimes are identified on the basis of the effective magnetic fields both at the sample surface and at the grains’ surfaces. Such characteristic times, through the Havriliak-Negami function, determine the temperature and the frequency dependences of the complex susceptibility. The comparison of the numerically obtained curves with the experimental ones confirms the relevance, for identifying the intergranular and intragranular contributions to the ac magnetic response and the corresponding flux dynamical regimes, of the interaction between the intergranular and intragranular magnetizations due to demagnetizing effects.

Defects in mitochondrial fatty acid synthesis result in failure of multiple aspects of mitochondrial biogenesis in Saccharomyces cerevisiae.

PubMed

Kursu, V A Samuli; Pietikäinen, Laura P; Fontanesi, Flavia; Aaltonen, Mari J; Suomi, Fumi; Raghavan Nair, Remya; Schonauer, Melissa S; Dieckmann, Carol L; Barrientos, Antoni; Hiltunen, J Kalervo; Kastaniotis, Alexander J

2013-11-01

Mitochondrial fatty acid synthesis (mtFAS) shares acetyl-CoA with the Krebs cycle as a common substrate and is required for the production of octanoic acid (C8) precursors of lipoic acid (LA) in mitochondria. MtFAS is a conserved pathway essential for respiration. In a genetic screen in Saccharomyces cerevisiae designed to further elucidate the physiological role of mtFAS, we isolated mutants with defects in mitochondrial post-translational gene expression processes, indicating a novel link to mitochondrial gene expression and respiratory chain biogenesis. In our ensuing analysis, we show that mtFAS, but not lipoylation per se, is required for respiratory competence. We demonstrate that mtFAS is required for mRNA splicing, mitochondrial translation and respiratory complex assembly, and provide evidence that not LA per se, but fatty acids longer than C8 play a role in these processes. We also show that mtFAS- and LA-deficient strains suffer from a mild haem deficiency that may contribute to the respiratory complex assembly defect. Based on our data and previously published information, we propose a model implicating mtFAS as a sensor for mitochondrial acetyl-CoA availability and a co-ordinator of nuclear and mitochondrial gene expression by adapting the mitochondrial compartment to changes in the metabolic status of the cell. © 2013 John Wiley & Sons Ltd.

GWAS of human bitter taste perception identifies new loci and reveals additional complexity of bitter taste genetics.

PubMed

Ledda, Mirko; Kutalik, Zoltán; Souza Destito, Maria C; Souza, Milena M; Cirillo, Cintia A; Zamboni, Amabilene; Martin, Nathalie; Morya, Edgard; Sameshima, Koichi; Beckmann, Jacques S; le Coutre, Johannes; Bergmann, Sven; Genick, Ulrich K

2014-01-01

Human perception of bitterness displays pronounced interindividual variation. This phenotypic variation is mirrored by equally pronounced genetic variation in the family of bitter taste receptor genes. To better understand the effects of common genetic variations on human bitter taste perception, we conducted a genome-wide association study on a discovery panel of 504 subjects and a validation panel of 104 subjects from the general population of São Paulo in Brazil. Correction for general taste-sensitivity allowed us to identify a SNP in the cluster of bitter taste receptors on chr12 (10.88- 11.24 Mb, build 36.1) significantly associated (best SNP: rs2708377, P = 5.31 × 10(-13), r(2) = 8.9%, β = -0.12, s.e. = 0.016) with the perceived bitterness of caffeine. This association overlaps with-but is statistically distinct from-the previously identified SNP rs10772420 influencing the perception of quinine bitterness that falls in the same bitter taste cluster. We replicated this association to quinine perception (P = 4.97 × 10(-37), r(2) = 23.2%, β = 0.25, s.e. = 0.020) and additionally found the effect of this genetic locus to be concentration specific with a strong impact on the perception of low, but no impact on the perception of high concentrations of quinine. Our study, thus, furthers our understanding of the complex genetic architecture of bitter taste perception.

Why is the central area of the Alburni Mts in southern Italy so full of caves?

NASA Astrophysics Data System (ADS)

Cafaro, Simona; Gueguen, Erwan; Parise, Mario; Schiattarella, Marcello

2016-04-01

The Alburni Mts represent one of the most important karst area of southern Italy, with about 250 registered caves. Located in the southern Apennines, they constitute an impressive carbonate massif within the Mesozoic-Cenozoic Campania-Lucania platform. The study area is located inside the National Park of Cilento, Vallo di Diano and Alburni, and is bounded by two major rivers: the Calore and Tanagro rivers. This area has been repeatedly affected during Pleistocene by the activity of a regional, partly blind, NW-SE-striking fault system responsible for several huge earthquakes. The massif is limited to the north by an important normal fault zone (Alburni Line), whereas towards the E-SE it is bounded by a complex fault system linking the Alburni Mts to the Maddalena Mts across the Auletta basin and the Vallo di Diano valley. The entire massif is structured by NW-SE trending transtensional faults delimiting half-graben basins, and offset also by NE-SW trending faults. In particular, structural and geomorphological data have shown that the central area of the calcareous ridge is characterized by a relative structural low rhombic-shaped in planimetric view. Approximately 180 karst caves of the known 250, including some of the most significant from a speleological viewpoint, are located in this area. Is this simply due to repeated exploration activity in the last 25 years in this specific sector or might it be related to geological matter? New morphometric and structural data suggest that a relevant transversal structure, consisting of a complex NE-SW fault system, responsible for the genesis of the downthrown area in the central sector of the flat-topped ridge, was able to create the tectonic framework for the development of a great number of karst caves which present peculiar features and hydrological behaviour due to such structural controls. In this contribution we present and discuss these data, aimed at contributing to increase the knowledge on an area of sure karst and speleological interest.

Finite element modelling versus classic beam theory: comparing methods for stress estimation in a morphologically diverse sample of vertebrate long bones

PubMed Central

Brassey, Charlotte A.; Margetts, Lee; Kitchener, Andrew C.; Withers, Philip J.; Manning, Phillip L.; Sellers, William I.

2013-01-01

Classic beam theory is frequently used in biomechanics to model the stress behaviour of vertebrate long bones, particularly when creating intraspecific scaling models. Although methodologically straightforward, classic beam theory requires complex irregular bones to be approximated as slender beams, and the errors associated with simplifying complex organic structures to such an extent are unknown. Alternative approaches, such as finite element analysis (FEA), while much more time-consuming to perform, require no such assumptions. This study compares the results obtained using classic beam theory with those from FEA to quantify the beam theory errors and to provide recommendations about when a full FEA is essential for reasonable biomechanical predictions. High-resolution computed tomographic scans of eight vertebrate long bones were used to calculate diaphyseal stress owing to various loading regimes. Under compression, FEA values of minimum principal stress (σmin) were on average 142 per cent (±28% s.e.) larger than those predicted by beam theory, with deviation between the two models correlated to shaft curvature (two-tailed p = 0.03, r2 = 0.56). Under bending, FEA values of maximum principal stress (σmax) and beam theory values differed on average by 12 per cent (±4% s.e.), with deviation between the models significantly correlated to cross-sectional asymmetry at midshaft (two-tailed p = 0.02, r2 = 0.62). In torsion, assuming maximum stress values occurred at the location of minimum cortical thickness brought beam theory and FEA values closest in line, and in this case FEA values of τtorsion were on average 14 per cent (±5% s.e.) higher than beam theory. Therefore, FEA is the preferred modelling solution when estimates of absolute diaphyseal stress are required, although values calculated by beam theory for bending may be acceptable in some situations. PMID:23173199

Covalency in the f element-chalcogen bond. computational studies of M[N(EPR2)2]3 (M = La, Ce, Pr, Pm, Eu, U, Np, Pu, Am, Cm; E = O, S, Se, Te; R = H, (i)Pr, Ph).

PubMed

Ingram, Kieran I M; Tassell, Matthew J; Gaunt, Andrew J; Kaltsoyannis, Nikolas

2008-09-01

The geometric and electronic structures of the title complexes have been studied using scalar relativistic, gradient-corrected density functional theory. Extension of our previous work on six-coordinate M[N(EPH 2) 2] 3 (M = La, Ce, U, Pu; E = O, S, Se, Te), models for the experimentally characterized M[N(EP (i)Pr 2) 2] 3, yields converged geometries for all of the other 4f and 5f metals studied and for all four group 16 elements. By contrast, converged geometries for nine-coordinate M[N(EPPh 2) 2] 3 are obtained only for E = S and Se. Comparison of the electronic structures of six- and nine-coordinate M[N(EPH 2) 2] 3 suggests that coordination of the N atoms produces only minor changes in the metal-chalcogen interactions. Six-coordinate Eu[N(EPH 2) 2] 3 and Am[N(EPH 2) 2] 3 with the heavier group 16 donors display geometric and electronic properties rather different from those of the other members of the 4f and 5f series, in particular, longer than expected Eu-E and Am-E bond lengths, smaller reductions in charge difference between M and E down group 16, and larger f populations. The latter are interpreted not as evidence of f-based metal-ligand covalency but rather as being indicative of ionic metal centers closer to M (II) than M (III). The Cm complexes are found to be very ionic, with very metal-localized f orbitals and Cm (III) centers. The implications of the results for the separation of the minor actinides from nuclear wastes are discussed, as is the validity of using La (III)/U (III) comparisons as models for minor actinide/Eu systems.

Positive Regulation of Staphylococcal Enterotoxin H by Rot (Repressor of Toxin) Protein and Its Importance in Clonal Complex 81 Subtype 1 Lineage-Related Food Poisoning

PubMed Central

Sato'o, Yusuke; Hisatsune, Junzo; Nagasako, Yuria; Ono, Hisaya K.; Omoe, Katsuhiko

2015-01-01

We previously demonstrated the clonal complex 81 (CC81) subtype 1 lineage is the major staphylococcal food poisoning (SFP)-associated lineage in Japan (Y. Sato'o et al., J Clin Microbiol 52:2637–2640, 2014, http://dx.doi.org/10.1128/JCM.00661-14). Strains of this lineage produce staphylococcal enterotoxin H (SEH) in addition to SEA. However, an evaluation of the risk for the recently reported SEH has not been sufficiently conducted. We first searched for staphylococcal enterotoxin (SE) genes and SE proteins in milk samples that caused a large SFP outbreak in Japan. Only SEA and SEH were detected, while there were several SE genes detected in the samples. We next designed an experimental model using a meat product to assess the productivity of SEs and found that only SEA and SEH were detectably produced in situ. Therefore, we investigated the regulation of SEH production using a CC81 subtype 1 isolate. Through mutant analysis of global regulators, we found the repressor of toxin (Rot) functioned oppositely as a stimulator of SEH production. SEA production was not affected by Rot. seh mRNA expression correlated with rot both in media and on the meat product, and the Rot protein was shown to directly bind to the seh promoter. The seh promoter sequence was predicted to form a loop structure and to hide the RNA polymerase binding sequences. We propose Rot binds to the promoter sequence of seh and unfolds the secondary structure that may lead the RNA polymerase to bind the promoter, and then seh mRNA transcription begins. This alternative Rot regulation for SEH may contribute to sufficient toxin production by the CC81 subtype 1 lineage in foods to induce SFP. PMID:26341202

Positive Regulation of Staphylococcal Enterotoxin H by Rot (Repressor of Toxin) Protein and Its Importance in Clonal Complex 81 Subtype 1 Lineage-Related Food Poisoning.

PubMed

Sato'o, Yusuke; Hisatsune, Junzo; Nagasako, Yuria; Ono, Hisaya K; Omoe, Katsuhiko; Sugai, Motoyuki

2015-11-01

We previously demonstrated the clonal complex 81 (CC81) subtype 1 lineage is the major staphylococcal food poisoning (SFP)-associated lineage in Japan (Y. Sato'o et al., J Clin Microbiol 52:2637-2640, 2014, http://dx.doi.org/10.1128/JCM.00661-14). Strains of this lineage produce staphylococcal enterotoxin H (SEH) in addition to SEA. However, an evaluation of the risk for the recently reported SEH has not been sufficiently conducted. We first searched for staphylococcal enterotoxin (SE) genes and SE proteins in milk samples that caused a large SFP outbreak in Japan. Only SEA and SEH were detected, while there were several SE genes detected in the samples. We next designed an experimental model using a meat product to assess the productivity of SEs and found that only SEA and SEH were detectably produced in situ. Therefore, we investigated the regulation of SEH production using a CC81 subtype 1 isolate. Through mutant analysis of global regulators, we found the repressor of toxin (Rot) functioned oppositely as a stimulator of SEH production. SEA production was not affected by Rot. seh mRNA expression correlated with rot both in media and on the meat product, and the Rot protein was shown to directly bind to the seh promoter. The seh promoter sequence was predicted to form a loop structure and to hide the RNA polymerase binding sequences. We propose Rot binds to the promoter sequence of seh and unfolds the secondary structure that may lead the RNA polymerase to bind the promoter, and then seh mRNA transcription begins. This alternative Rot regulation for SEH may contribute to sufficient toxin production by the CC81 subtype 1 lineage in foods to induce SFP. Copyright © 2015, American Society for Microbiology. All Rights Reserved.

A tectonic model for the Tertiary evolution of strike slip faults and rift basins in SE Asia

NASA Astrophysics Data System (ADS)

Morley, C. K.

2002-04-01

Models for the Tertiary evolution of SE Asia fall into two main types: a pure escape tectonics model with no proto-South China Sea, and subduction of proto-South China Sea oceanic crust beneath Borneo. A related problem is which, if any, of the main strike-slip faults (Mae Ping, Three Pagodas and Aliao Shan-Red River (ASRR)) cross Sundaland to the NW Borneo margin to facilitate continental extrusion? Recent results investigating strike-slip faults, rift basins, and metamorphic core complexes are reviewed and a revised tectonic model for SE Asia proposed. Key points of the new model include: (1) The ASRR shear zone was mainly active in the Eocene-Oligocene in order to link with extension in the South China Sea. The ASRR was less active during the Miocene (tens of kilometres of sinistral displacement), with minor amounts of South China Sea spreading centre extension transferred to the ASRR shear zone. (2) At least three important regions of metamorphic core complex development affected Indochina from the Oligocene-Miocene (Mogok gneiss belt; Doi Inthanon and Doi Suthep; around the ASRR shear zone). Hence, Paleogene crustal thickening, buoyancy-driven crustal collapse, and lower crustal flow are important elements of the Tertiary evolution of Indochina. (3) Subduction of a proto-South China Sea oceanic crust during the Eocene-Early Miocene is necessary to explain the geological evolution of NW Borneo and must be built into any model for the region. (4) The Eocene-Oligocene collision of NE India with Burma activated extrusion tectonics along the Three Pagodas, Mae Ping, Ranong and Klong Marui faults and right lateral motion along the Sumatran subduction zone. (5) The only strike-slip fault link to the NW Borneo margin occurred along the trend of the ASRR fault system, which passes along strike into a right lateral transform system including the Baram line.

Field programmable gate array based fuzzy neural signal processing system for differential diagnosis of QRS complex tachycardia and tachyarrhythmia in noisy ECG signals.

PubMed

Chowdhury, Shubhajit Roy

2012-04-01

The paper reports of a Field Programmable Gate Array (FPGA) based embedded system for detection of QRS complex in a noisy electrocardiogram (ECG) signal and thereafter differential diagnosis of tachycardia and tachyarrhythmia. The QRS complex has been detected after application of entropy measure of fuzziness to build a detection function of ECG signal, which has been previously filtered to remove power line interference and base line wander. Using the detected QRS complexes, differential diagnosis of tachycardia and tachyarrhythmia has been performed. The entire algorithm has been realized in hardware on an FPGA. Using the standard CSE ECG database, the algorithm performed highly effectively. The performance of the algorithm in respect of QRS detection with sensitivity (Se) of 99.74% and accuracy of 99.5% is achieved when tested using single channel ECG with entropy criteria. The performance of the QRS detection system has been compared and found to be better than most of the QRS detection systems available in literature. Using the system, 200 patients have been diagnosed with an accuracy of 98.5%.

A Systems Engineering Approach to Quality Assurance for Aerospace Testing

NASA Technical Reports Server (NTRS)

Shepherd, Christena C.

2014-01-01

On the surface, it appears that AS9100 has little to say about how to apply a Quality Management System (QMS) to major aerospace test programs (or even smaller ones). It also appears that there is little in the quality engineering Body of Knowledge (BOK) that applies to testing, unless it is nondestructive examination (NDE), or some type of lab or bench testing associated with the manufacturing process. However, if one examines: a) how the systems engineering (SE) processes are implemented throughout a test program; and b) how these SE processes can be mapped to the requirements of AS9100, a number of areas for involvement of the quality professional are revealed. What often happens is that quality assurance during a test program is limited to inspections of the test article; what could be considered a manufacturing al fresco approach. This limits the quality professional and is a disservice to the programs and projects, since there are a number of ways that quality can enhance critical processes, and support efforts to improve risk reduction, efficiency and effectiveness. The Systems Engineering (SE) discipline is widely used in aerospace to ensure the progress from Stakeholder Expectations (the President, Congress, the taxpayers) to a successful, delivered product or service. Although this is well known, what is not well known is that these same SE processes are implemented in varying complexity, to prepare for and implement test projects that support research, development, verification and validation, qualification, and acceptance test projects. Although the test organization's terminology may vary from the SE terminology, and from one test service provider to another, the basic process is followed by successful, reliable testing organizations. For this analysis, NASA Procedural Requirements (NPR) 7123.1, NASA Systems Engineering Processes and Requirements is used to illustrate the SE processes that are used for major aerospace testing. Many of these processes are also implemented for smaller test projects, and this set of processes will also look familiar to those who have participated in launch site activation and flight demonstrations.

Chemical composition of drinking water as a possible environment-specific factor modifying the thyroid risk in the areas subjected to radioiodine contamination

NASA Astrophysics Data System (ADS)

Kolmykova, Lyudmila; Korobova, Elena; Ryzhenko, Boris

2015-04-01

Water is one of the main natural agents providing chemical elements' migration in the environment and food chains. In our opinion a study of spatial variation of the essential trace elements in local drinking water is worth considering as the factor that may contribute to variation of the health risk in areas contaminated by radionuclides and radioiodine in particular. Radioiodine was proved to increase the risk of thyroid cancer among children who lived in areas contaminated during the Chernobyl accident. It was also shown that low stable iodine status of the contaminated area and population also contributed to the risk of this disease in case of radionuclide contamination. The goal of the study was to investigate chemical composition of the drinking water in rural settlements of the Bryansk oblast' subjected to radioiodine contamination and to evaluate speciation of stable I and Se on the basis of their total concentration and chemical composition of the real water samples with the help of thermodynamic modelling. Water samples were collected from different aquifers discharging at different depths (dug wells, local private bore holes and water pipes) in rural settlements located in areas with contrasting soil iodine status. Thermodynamic modelling was performed using original software (HCh code of Y.Shvarov, Moscow State University, RUSSIA) incorporating the measured pH, Corg and elements' concentration values. Performed modelling showed possibility of formation of complex CaI+ ion in aqueous phase, I sorption by goethite and transfer of Se to solid phase as FeSe in the observed pH-Eh conditions. It helped to identify environmental conditions providing high I and Se mobility and their depletion from natural waters. Both the experimental data and modeling showed that I and Se migration and deficiency in natural water is closely connected to pH, Eh conditions and the concentration of typomorphic chemical elements (Ca, Mg, Fe) defining the class of water migration in landscapes (according Perel'man, 1975). Obtained data will be used for evaluation of contribution of I and Se status of drinking water to the risk of thyroid diseases among local population.

MC 2: Subaru and Hubble Space Telescope Weak-lensing Analysis of the Double Radio Relic Galaxy Cluster PLCK G287.0+32.9

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

Finner, Kyle; Jee, M. James; Golovich, Nathan

The second most significant detection of the Planck Sunyaev-Zel'dovich survey, PLCK G287.0+32.9 (z = 0.385), boasts two similarly bright radio relics and a radio halo. One radio relic is locatedmore » $$\\sim 400\\,\\mathrm{kpc}$$ NW of the X-ray peak and the other $$\\sim 2.8$$ Mpc to the SE. This large difference suggests that a complex merging scenario is required. A key missing puzzle for the merging scenario reconstruction is the underlying dark matter distribution in high resolution. Here, we present a joint Subaru Telescope and Hubble Space Telescope weak-lensing analysis of the cluster. Our analysis shows that the mass distribution features four significant substructures. Of the substructures, a primary cluster of mass $${M}_{200{\\rm{c}}}={1.59}_{-0.22}^{+0.25}\\times {10}^{15}\\ {h}_{70}^{-1}\\ {M}_{\\odot }$$ dominates the weak-lensing signal. This cluster is likely to be undergoing a merger with one (or more) subcluster whose mass is approximately a factor of 10 lower. One candidate is the subcluster of mass $${M}_{200{\\rm{c}}}={1.16}_{-0.13}^{+0.15}\\times {10}^{14}\\ {h}_{70}^{-1}\\ {M}_{\\odot }$$ located $$\\sim 400\\,\\mathrm{kpc}$$ to the SE. The location of this subcluster suggests that its interaction with the primary cluster could be the source of the NW radio relic. Another subcluster is detected $$\\sim 2$$ Mpc to the SE of the X-ray peak with mass $${M}_{200{\\rm{c}}}={1.68}_{-0.20}^{+0.22}\\times {10}^{14}\\ {h}_{70}^{-1}\\ {M}_{\\odot }$$. This SE subcluster is in the vicinity of the SE radio relic and may have created the SE radio relic during a past merger with the primary cluster. The fourth subcluster, $${M}_{200{\\rm{c}}}={1.87}_{-0.22}^{+0.24}\\times {10}^{14}\\ {h}_{70}^{-1}\\ {M}_{\\odot }$$, is NW of the X-ray peak and beyond the NW radio relic.« less

MC 2: Subaru and Hubble Space Telescope Weak-lensing Analysis of the Double Radio Relic Galaxy Cluster PLCK G287.0+32.9

DOE PAGES

Finner, Kyle; Jee, M. James; Golovich, Nathan; ...

2017-12-11

The second most significant detection of the Planck Sunyaev-Zel'dovich survey, PLCK G287.0+32.9 (z = 0.385), boasts two similarly bright radio relics and a radio halo. One radio relic is locatedmore » $$\\sim 400\\,\\mathrm{kpc}$$ NW of the X-ray peak and the other $$\\sim 2.8$$ Mpc to the SE. This large difference suggests that a complex merging scenario is required. A key missing puzzle for the merging scenario reconstruction is the underlying dark matter distribution in high resolution. Here, we present a joint Subaru Telescope and Hubble Space Telescope weak-lensing analysis of the cluster. Our analysis shows that the mass distribution features four significant substructures. Of the substructures, a primary cluster of mass $${M}_{200{\\rm{c}}}={1.59}_{-0.22}^{+0.25}\\times {10}^{15}\\ {h}_{70}^{-1}\\ {M}_{\\odot }$$ dominates the weak-lensing signal. This cluster is likely to be undergoing a merger with one (or more) subcluster whose mass is approximately a factor of 10 lower. One candidate is the subcluster of mass $${M}_{200{\\rm{c}}}={1.16}_{-0.13}^{+0.15}\\times {10}^{14}\\ {h}_{70}^{-1}\\ {M}_{\\odot }$$ located $$\\sim 400\\,\\mathrm{kpc}$$ to the SE. The location of this subcluster suggests that its interaction with the primary cluster could be the source of the NW radio relic. Another subcluster is detected $$\\sim 2$$ Mpc to the SE of the X-ray peak with mass $${M}_{200{\\rm{c}}}={1.68}_{-0.20}^{+0.22}\\times {10}^{14}\\ {h}_{70}^{-1}\\ {M}_{\\odot }$$. This SE subcluster is in the vicinity of the SE radio relic and may have created the SE radio relic during a past merger with the primary cluster. The fourth subcluster, $${M}_{200{\\rm{c}}}={1.87}_{-0.22}^{+0.24}\\times {10}^{14}\\ {h}_{70}^{-1}\\ {M}_{\\odot }$$, is NW of the X-ray peak and beyond the NW radio relic.« less

The CE/SE Method: a CFD Framework for the Challenges of the New Millennium

NASA Technical Reports Server (NTRS)

Chang, Sin-Chung; Yu, Sheng-Tao

2001-01-01

The space-time conservation element and solution element (CE/SE) method, which was originated and is continuously being developed at NASA Glenn Research Center, is a high-resolution, genuinely multidimensional and unstructured-mesh compatible numerical method for solving conservation laws. Since its inception in 1991, the CE/SE method has been used to obtain highly accurate numerical solutions for 1D, 2D and 3D flow problems involving shocks, contact discontinuities, acoustic waves, vortices, shock/acoustic waves/vortices interactions, shock/boundary layers interactions and chemical reactions. Without the aid of preconditioning or other special techniques, it has been applied to both steady and unsteady flows with speeds ranging from Mach number = 0.00288 to 10. In addition, the method has unique features that allow for (i) the use of very simple non-reflecting boundary conditions, and (ii) a unified wall boundary treatment for viscous and inviscid flows. The CE/SE method was developed with the conviction that, with a solid foundation in physics, a robust, coherent and accurate numerical framework can be built without involving overly complex mathematics. As a result, the method was constructed using a set of design principles that facilitate simplicity, robustness and accuracy. The most important among them are: (i) enforcing both local and global flux conservation in space and time, with flux evaluation at an interface being an integral part of the solution procedure and requiring no interpolation or extrapolation; (ii) unifying space and time and treating them as a single entity; and (iii) requiring that a numerical scheme be built from a nondissipative core scheme such that the numerical dissipation can be effectively controlled and, as a result, will not overwhelm the physical dissipation. Part I of the workshop will be devoted to a discussion of these principles along with a description of how the ID, 2D and 3D CE/SE schemes are constructed. In Part II, various applications of the CE/SE method, particularly those involving chemical reactions and acoustics, will be presented. The workshop will be concluded with a sketch of the future research directions.

A comparison of animated versus static images in an instructional multimedia presentation.

PubMed

Daly, C J; Bulloch, J M; Ma, M; Aidulis, D

2016-06-01

Sophisticated three-dimensional animation and video compositing software enables the creation of complex multimedia instructional movies. However, if the design of such presentations does not take account of cognitive load and multimedia theories, then their effectiveness as learning aids will be compromised. We investigated the use of animated images versus still images by creating two versions of a 4-min multimedia presentation on vascular neuroeffector transmission. One version comprised narration and animations, whereas the other animation comprised narration and still images. Fifty-four undergraduate students from level 3 pharmacology and physiology undergraduate degrees participated. Half of the students watched the full animation, and the other half watched the stills only. Students watched the presentation once and then answered a short essay question. Answers were coded and marked blind. The "animation" group scored 3.7 (SE: 0.4; out of 11), whereas the "stills" group scored 3.2 (SE: 0.5). The difference was not statistically significant. Further analysis of bonus marks, awarded for appropriate terminology use, detected a significant difference in one class (pharmacology) who scored 0.6 (SE: 0.2) versus 0.1 (SE: 0.1) for the animation versus stills group, respectively (P = 0.04). However, when combined with the physiology group, the significance disappeared. Feedback from students was extremely positive and identified four main themes of interest. In conclusion, while increasing student satisfaction, we do not find strong evidence in favor of animated images over still images in this particular format. We also discuss the study design and offer suggestions for further investigations of this type. Copyright © 2016 The American Physiological Society.

Effects of mouth rehabilitation with removable complete dentures on stimulus perception and the electromyographic activity of the orbicularis oris muscle.

PubMed

de Caxias, Fernanda P; Dos Santos, Daniela M; Goiato, Marcelo C; Bitencourt, Sandro B; da Silva, Emily V F; Laurindo-Junior, Murilo C B; Turcio, Karina H L

2018-05-01

Many elderly individuals are rehabilitated with removable complete dentures, which require an initial adaptation period for both oral perception and the perioral muscles. Studies assessing the changes in stimulus perception and the electromyographic (EMG) activity of the orbicularis oris muscle shortly after conventional complete denture insertion are lacking. The purpose of this clinical study was to evaluate the effect of mouth rehabilitation with removable complete dentures on stimulus perception and the EMG activity of the orbicularis oris muscle. This study was approved by the Human Research Ethics Committee of the Araçatuba Dental School (São Paulo State University). Fifteen participants who had worn their removable complete dentures for at least 5 years and needed rehabilitation with new prostheses were enrolled in the study. A perception questionnaire was applied, and surface EMG examinations of the orbicularis oris muscle during rest, suction of water with a straw, and pronunciation of the syllables /bah/, /mah/, /pah/, and the word 'Mississippi' were performed before (T0) and 30 (T1) and 100 (T2) days after insertion of the new prostheses. The data were analyzed with the Cochran Q test, McNemar test, 2-way repeated measures ANOVA, and honestly significant difference (HSD) Tukey test (α=.05). Significant improvement was reported in the perception questionnaire in terms of the oral discomfort sensation in the T2 period. EMG activity decreased during rest and suction after insertion of the new prostheses. A statistical difference between the upper and lower fascicles of the orbicularis oris muscle was detected, with a decrease of EMG activity between the T0 and T1 periods on the lower fascicle, except for when pronouncing the /pah/ syllable. Mouth rehabilitation with removable complete dentures decreased oral discomfort and, depending on the oral function, decreased or increased EMG activity of the orbicularis oris muscle. In addition, the lower fascicle was more active than the upper fascicle during rest and most functional activities. Copyright © 2017 Editorial Council for the Journal of Prosthetic Dentistry. Published by Elsevier Inc. All rights reserved.

Synthetic Sex Pheromone in a Long-Lasting Lure Attracts the Visceral Leishmaniasis Vector, Lutzomyia longipalpis, for up to 12 Weeks in Brazil

PubMed Central

Bray, Daniel P.; Carter, Vicky; Alves, Graziella B.; Brazil, Reginaldo P.; Bandi, Krishna K.; Hamilton, James G. C.

2014-01-01

Current control methodologies have not prevented the spread of visceral leishmaniasis (VL) across Brazil. Here, we describe the development of a new tool for controlling the sand fly vector of the disease: a long-lasting lure, which releases a synthetic male sex pheromone, attractive to both sexes of Lutzomyia longipalpis. This device could be used to improve the effectiveness of residual insecticide spraying as a means of sand fly control, attracting L. longipalpis to insecticide-treated animal houses, where they could be killed in potentially large numbers over a number of weeks. Different lure designs releasing the synthetic pheromone (±)-9-methylgermacrene-B (CAS 183158-38-5) were field-tested in Araçatuba, São Paulo (SP). Experiments compared numbers of sand flies caught overnight in experimental chicken sheds with pheromone lures, to numbers caught in control sheds without pheromone. Prototype lures, designed to last one night, were first used to confirm the attractiveness of the pheromone in SP, and shown to attract significantly more flies to test sheds than controls. Longer-lasting lures were tested when new, and at fortnightly intervals. Lures loaded with 1 mg of pheromone did not attract sand flies for more than two weeks. However, lures loaded with 10 mg of pheromone, with a releasing surface of 15 cm2 or 7.5 cm2, attracted female L. longipalpis for up to ten weeks, and males for up to twelve weeks. Approximately five times more sand flies were caught with 7.5 cm2 10 mg lures when first used than occurred naturally in non-experimental chicken resting sites. These results demonstrate that these lures are suitably long-lasting and attractive for use in sand fly control programmes in SP. To our knowledge, this is the first sex pheromone-based technology targeting an insect vector of a neglected human disease. Further studies should explore the general applicability of this approach for combating other insect-borne diseases. PMID:24651528

Synthetic sex pheromone in a long-lasting lure attracts the visceral leishmaniasis vector, Lutzomyia longipalpis, for up to 12 weeks in Brazil.

PubMed

Bray, Daniel P; Carter, Vicky; Alves, Graziella B; Brazil, Reginaldo P; Bandi, Krishna K; Hamilton, James G C

2014-03-01

Current control methodologies have not prevented the spread of visceral leishmaniasis (VL) across Brazil. Here, we describe the development of a new tool for controlling the sand fly vector of the disease: a long-lasting lure, which releases a synthetic male sex pheromone, attractive to both sexes of Lutzomyia longipalpis. This device could be used to improve the effectiveness of residual insecticide spraying as a means of sand fly control, attracting L. longipalpis to insecticide-treated animal houses, where they could be killed in potentially large numbers over a number of weeks. Different lure designs releasing the synthetic pheromone (±)-9-methylgermacrene-B (CAS 183158-38-5) were field-tested in Araçatuba, São Paulo (SP). Experiments compared numbers of sand flies caught overnight in experimental chicken sheds with pheromone lures, to numbers caught in control sheds without pheromone. Prototype lures, designed to last one night, were first used to confirm the attractiveness of the pheromone in SP, and shown to attract significantly more flies to test sheds than controls. Longer-lasting lures were tested when new, and at fortnightly intervals. Lures loaded with 1 mg of pheromone did not attract sand flies for more than two weeks. However, lures loaded with 10 mg of pheromone, with a releasing surface of 15 cm2 or 7.5 cm2, attracted female L. longipalpis for up to ten weeks, and males for up to twelve weeks. Approximately five times more sand flies were caught with 7.5 cm2 10 mg lures when first used than occurred naturally in non-experimental chicken resting sites. These results demonstrate that these lures are suitably long-lasting and attractive for use in sand fly control programmes in SP. To our knowledge, this is the first sex pheromone-based technology targeting an insect vector of a neglected human disease. Further studies should explore the general applicability of this approach for combating other insect-borne diseases.

System Engineering for J-2X Development: The Simpler, the Better

NASA Technical Reports Server (NTRS)

Kelly, William M.; Greasley, Paul; Greene, William D.; Ackerman, Peter

2008-01-01

The Ares I and Ares V Vehicles will utilize the J-2X rocket engine developed for NASA by the Pratt and Whitney Rocketdyne Company (PWR) as the upper stage engine (USE). The J-2X is an improved higher power version of the original J-2 engine used for Apollo. System Engineering (SE) facilitates direct and open discussions of issues and problems. This simple idea is often overlooked in large, complex engineering development programs. Definition and distribution of requirements from the engine level to the component level is controlled by Allocation Reports which breaks down numerical design objectives (weight, reliability, etc.) into quanta goals for each component area. Linked databases of design and verification requirements help eliminate redundancy and potential mistakes inherent in separated systems. Another tool, the Architecture Design Description (ADD), is used to control J-2X system architecture and effectively communicate configuration changes to those involved in the design process. But the proof of an effective process is in successful program accomplishment. SE is the methodology being used to meet the challenge of completing J-2X engine certification 2 years ahead of any engine program ever developed at PWR. This paper describes the simple, better SE tools and techniques used to achieve this success.

Chemiluminescent and chemiluminescence resonance energy transfer (CRET) detection of DNA, metal ions, and aptamer-substrate complexes using hemin/G-quadruplexes and CdSe/ZnS quantum dots.

PubMed

Freeman, Ronit; Liu, Xiaoqing; Willner, Itamar

2011-08-03

Nucleic acid subunits consisting of fragments of the horseradish peroxidase (HRP)-mimicking DNAzyme and aptamer domains against ATP or sequences recognizing Hg(2+) ions self-assemble, in the presence of ATP or Hg(2+), into the active hemin-G-quadruplex DNAzyme structure. The DNAzyme-generated chemiluminescence provides the optical readout for the sensing events. In addition, the DNAzyme-stimulated chemiluminescence resonance energy transfer (CRET) to CdSe/ZnS quantum dots (QDs) is implemented to develop aptamer or DNA sensing platforms. The self-assembly of the ATP-aptamer subunits/hemin-G-quadruplex DNAzyme, where one of the aptamer subunits is functionalized with CdSe/ZnS QDs, leads to the CRET signal. Also, the functionalization of QDs with a hairpin nucleic acid that includes the G-quadruplex sequence in a ''caged'' configuration is used to analyze DNA. The opening of the hairpin structure by the target DNA assembles the hemin-G-quadruplex DNAzyme that stimulates the CRET signal. By the application of three different sized QDs functionalized with different hairpins, the multiplexed analysis of three different DNA targets is demonstrated by the generation of three different CRET luminescence signals.

Differentiation of surface and bulk conductivities in topological insulator via four-probe spectroscopy

DOE PAGES

Zhang, Xiaoguang; McGuire, Michael A.; Chen, Yong P.; ...

2016-03-08

Topological insulators, with characteristic topological surface states, have emerged as a new state of matter with rich potentials for both fundamental physics and device applications. However, the experimental detection of the surface transport has been hampered by the unavoidable extrinsic conductivity associated with the bulk crystals. Here we show that a four-probe transport spectroscopy in a multi-probe scanning tunneling microscopy system can be used to differentiate conductivities from the surface states and the coexisting bulk states in topological insulators. We derive a scaling relation of measured resistance with respect to varying inter-probe spacing for two interconnected conduction channels, which allowsmore » quantitative determination of conductivities from both channels. Using this method, we demonstrate the separation of 2D and 3D conduction in topological insulators by comparing the conductance scaling of Bi 2Se 3, Bi 2Te 2Se, and Sb-doped Bi 2Se 3 with that of a pure 2D conductance of graphene on SiC substrate. We also report the 2D conductance enhancement due to the surface doping effect in topological insulators. This technique can be applied to reveal 2D to 3D crossover of conductance in other complex systems.« less

Characterizing Factors Associated With Differences in FGF19 Blood Levels and Synthesis in Patients With Primary Bile Acid Diarrhea.

PubMed

Johnston, Ian M; Nolan, Jonathan D; Pattni, Sanjeev S; Appleby, Richard N; Zhang, Justine H; Kennie, Sarah L; Madhan, Gaganjit K; Jameie-Oskooei, Sina; Pathmasrirengam, Shivani; Lin, Jeremy; Hong, Albert; Dixon, Peter H; Williamson, Catherine; Walters, Julian R F

2016-03-01

Chronic diarrhea caused by primary bile acid diarrhea (PBAD) is a common condition. We have previously shown PBAD is associated with low fasting serum levels of the ileal hormone, fibroblast growth factor 19 (FGF19). FGF19 is a negative regulator of hepatic bile acid synthesis and is stimulated by farnesoid X receptor agonists, which produce symptomatic improvement in PBAD. We aimed to assess possible causes for low serum FGF19 in patients with PBAD. Patients with PBAD, defined by reduced (75)Se-labelled homocholic acid taurine (SeHCAT) retention, and idiopathic diarrhea controls had measurements of fasting lipids and fasting/post-prandial FGF19 serum profiles. Specific functional variants in candidate genes were investigated in exploratory studies. In further groups, basal and bile acid-stimulated transcript expression was determined in ileal biopsies and explant cultures by quantitative PCR. FGF19 profiles in PBAD patients included low fasting and meal-stimulated responses, which were both strongly correlated with SeHCAT. A subgroup of 30% of PBAD patients had fasting hypertriglyceridemia and higher FGF19. No clear significant differences were found for any genetic variant but there were borderline associations with FGFR4 and KLB. SeHCAT retention significantly correlated with the basal ileal transcript expression of FGF19 (rs=0.59, P=0.03) and apical sodium-dependent bile acid transporter (ASBT) (rs=0.49, P=0.04), and also with the degree of stimulation by chenodeoxycholic acid at 6 h for transcripts of FGF19 (median 184-fold, rs=0.50, P=0.02) and ileal bile acid binding protein (IBABP) (median 2.2-fold, rs=0.47, P=0.04). Median stimulation of FGF19 was lower in patients with SeHCAT retention <10% (P=0.01). These studies demonstrate a complex, multifactorial etiology of PBAD, including impairments in ileal FGF19 expression and responsiveness.

Relating fish health and reproductive metrics to contaminant bioaccumulation at the Tennessee Valley Authority Kingston coal ash spill site

DOE PAGES

Pracheil, Brenda M.; Marshall Adams, S.; Bevelhimer, Mark S.; ...

2016-05-06

A 4.1 million m 3 release of coal ash into the Emory and Clinch rivers in December 2008 at Tennessee Valley Authority s Kingston Fossil Plant has prompted a long-term, large-scale biological monitoring effort to determine if there are chronic effects of this spill on biota. Of concern in this spill were arsenic (As) and selenium (Se), heavy metal constituents of coal ash that can be toxic to fish and wildlife and also mercury (Hg): a legacy contaminant that can interact with Se in organisms. We used fish filet bioaccumulation data from Bluegill Lepomis macrochirus, Redear Lepomis microlophus, Largemouth Bassmore » Micropterus salmoides and Channel Catfish Ictalurus punctatus and metrics of fish health including fish condition indices, blood chemistry parameters and liver histopathology data collected from 2009-2013 to determine whether tissue heavy metal burdens relate 1) to each other 2) to metrics of fish health (e.g., blood chemistry characteristics and liver histopathology) and condition, and 3) whether relationships between fish health characteristics and heavy metals are related to site and ash-exposure. We found that burdens of Se and As are generally related to each other between tissues, but burdens of Hg between tissues are not generally positively associated. Taking analyses together, there appears to be reductions in growth and sublethal liver and kidney dysfunction in Bluegill and Largemouth Bass as indicated by blood chemistry parameters (elevated blood protein, glucose, phosphorous, blood urea nitrogen and creatinine in ash-affected sites) and related to concentrations of As and Se. Seeing sub-lethal effects in these species of fish is interesting because Redear had the highest filet burdens of Se, but did not have biomarkers indicating disease or dysfunction. We conclude our study by highlighting the complexities inherent in multimetric fish health data and the need for continued monitoring to further untangle contaminant and fish health associations.« less

The 12th June 2017 Mw = 6.3 Lesvos earthquake from detailed seismological observations

NASA Astrophysics Data System (ADS)

Papadimitriou, P.; Kassaras, I.; Kaviris, G.; Tselentis, G.-A.; Voulgaris, N.; Lekkas, E.; Chouliaras, G.; Evangelidis, C.; Pavlou, K.; Kapetanidis, V.; Karakonstantis, A.; Kazantzidou-Firtinidou, D.; Fountoulakis, I.; Millas, C.; Spingos, I.; Aspiotis, T.; Moumoulidou, A.; Skourtsos, E.; Antoniou, V.; Andreadakis, E.; Mavroulis, S.; Kleanthi, M.

2018-04-01

A major earthquake (Mwö=ö6.3) occurred on the 12th of June 2017 (12:28 GMT) offshore, south of the SE coast of Lesvos Island, at a depth of 13ökm, in an area characterized by normal faulting with an important strike-slip component in certain cases. Over 900 events of the sequence between 12 and 30 June 2017 were manually analyzed and located, employing an optimized local velocity model. Double-difference relocation revealed seven spatially separated groups of events, forming two linear branches, roughly aligned N130°E, compatible with the strike of known mapped faults along the southern coast of Lesvos Island. Spatiotemporal analysis indicated gradual migration of seismicity towards NW and SE from the margins of the main rupture, while a strong secondary sequence at a separate fault patch SE of the mainshock, oriented NW-SE, was triggered by the largest aftershock (Mwö=ö5.2) that occurred on 17 June. The focal mechanisms of the mainshock (φö=ö122°, δö=ö40° and λö=ö-83°) and of the major aftershocks were determined using regional moment tensor inversion. In most cases normal faulting was revealed with the fault plane oriented in a NW-SE direction, dipping SW, with the exception of the largest aftershock that was characterized by strike-slip faulting. Stress inversion revealed a complex stress field south of Lesvos, related both to normal, in an approximate E-W direction, and strike-slip faulting. All aftershocks outside the main rupture, where gradual seismicity migration was observed, are located within the positive lobes of static stress transfer determined by applying the Coulomb criterion for the mainshock. Stress loading on optimal faults under a strike-slip regime explains the occurrence of the largest aftershock and the seismicity that was triggered at the eastern patch of the rupture zone.

Intermixing at the absorber-buffer layer interface in thin-film solar cells: The electronic effects of point defects in Cu(In,Ga)(Se,S) 2 and Cu 2ZnSn(Se,S) 4 devices

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

Varley, J. B.; Lordi, V.

We investigate point defects in the buffer layers CdS and ZnS that may arise from intermixing with Cu(In,Ga)(S,Se) 2 (CIGS) or Cu 2ZnSn(S,Se) 4 (CZTS) absorber layers in thin-film photovoltaics. Using hybrid functional calculations, we characterize the electrical and optical behavior of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities in the buffer. We find that In and Ga substituted on the cation site act as shallow donors in CdS and tend to enhance the prevailing n-type conductivity at the interface facilitated by Cd incorporation in CIGS, whereas they are deep donors in ZnS and will be lessmore » effective dopants. Substitutional In and Ga can favorably form complexes with cation vacancies (A-centers) which may contribute to the “red kink” effect observed in some CIGS-based devices. For CZTS absorbers, we find that Zn and Sn defects substituting on the buffer cation site are electrically inactive in n-type buffers and will not supplement the donor doping at the interface as in CIGS/CdS or ZnS devices. Sn may also preferentially incorporate on the S site as a deep acceptor in n-type ZnS, which suggests possible concerns with absorber-related interfacial compensation in CZTS devices with ZnS-derived buffers. Cu, Na, and K impurities are found to all have the same qualitative behavior, most favorably acting as compensating acceptors when substituting on the cation site. Lastly, our results suggest one beneficial role of K and Na incorporation in CIGS or CZTS devices is the partial passivation of vacancy-related centers in CdS and ZnS buffers, rendering them less effective interfacial hole traps and recombination centers.« less

Intermixing at the absorber-buffer layer interface in thin-film solar cells: The electronic effects of point defects in Cu(In,Ga)(Se,S){sub 2} and Cu{sub 2}ZnSn(Se,S){sub 4} devices

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

Varley, J. B.; Lordi, V.

We investigate point defects in the buffer layers CdS and ZnS that may arise from intermixing with Cu(In,Ga)(S,Se){sub 2} (CIGS) or Cu{sub 2}ZnSn(S,Se){sub 4} (CZTS) absorber layers in thin-film photovoltaics. Using hybrid functional calculations, we characterize the electrical and optical behavior of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities in the buffer. We find that In and Ga substituted on the cation site act as shallow donors in CdS and tend to enhance the prevailing n-type conductivity at the interface facilitated by Cd incorporation in CIGS, whereas they are deep donors in ZnS and will be lessmore » effective dopants. Substitutional In and Ga can favorably form complexes with cation vacancies (A-centers) which may contribute to the “red kink” effect observed in some CIGS-based devices. For CZTS absorbers, we find that Zn and Sn defects substituting on the buffer cation site are electrically inactive in n-type buffers and will not supplement the donor doping at the interface as in CIGS/CdS or ZnS devices. Sn may also preferentially incorporate on the S site as a deep acceptor in n-type ZnS, which suggests possible concerns with absorber-related interfacial compensation in CZTS devices with ZnS-derived buffers. Cu, Na, and K impurities are found to all have the same qualitative behavior, most favorably acting as compensating acceptors when substituting on the cation site. Our results suggest one beneficial role of K and Na incorporation in CIGS or CZTS devices is the partial passivation of vacancy-related centers in CdS and ZnS buffers, rendering them less effective interfacial hole traps and recombination centers.« less

Relating fish health and reproductive metrics to contaminant bioaccumulation at the Tennessee Valley Authority Kingston coal ash spill site

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

Pracheil, Brenda M.; Marshall Adams, S.; Bevelhimer, Mark S.

A 4.1 million m 3 release of coal ash into the Emory and Clinch rivers in December 2008 at Tennessee Valley Authority s Kingston Fossil Plant has prompted a long-term, large-scale biological monitoring effort to determine if there are chronic effects of this spill on biota. Of concern in this spill were arsenic (As) and selenium (Se), heavy metal constituents of coal ash that can be toxic to fish and wildlife and also mercury (Hg): a legacy contaminant that can interact with Se in organisms. We used fish filet bioaccumulation data from Bluegill Lepomis macrochirus, Redear Lepomis microlophus, Largemouth Bassmore » Micropterus salmoides and Channel Catfish Ictalurus punctatus and metrics of fish health including fish condition indices, blood chemistry parameters and liver histopathology data collected from 2009-2013 to determine whether tissue heavy metal burdens relate 1) to each other 2) to metrics of fish health (e.g., blood chemistry characteristics and liver histopathology) and condition, and 3) whether relationships between fish health characteristics and heavy metals are related to site and ash-exposure. We found that burdens of Se and As are generally related to each other between tissues, but burdens of Hg between tissues are not generally positively associated. Taking analyses together, there appears to be reductions in growth and sublethal liver and kidney dysfunction in Bluegill and Largemouth Bass as indicated by blood chemistry parameters (elevated blood protein, glucose, phosphorous, blood urea nitrogen and creatinine in ash-affected sites) and related to concentrations of As and Se. Seeing sub-lethal effects in these species of fish is interesting because Redear had the highest filet burdens of Se, but did not have biomarkers indicating disease or dysfunction. We conclude our study by highlighting the complexities inherent in multimetric fish health data and the need for continued monitoring to further untangle contaminant and fish health associations.« less

Intermixing at the absorber-buffer layer interface in thin-film solar cells: The electronic effects of point defects in Cu(In,Ga)(Se,S) 2 and Cu 2ZnSn(Se,S) 4 devices

DOE PAGES

Varley, J. B.; Lordi, V.

2014-08-08

We investigate point defects in the buffer layers CdS and ZnS that may arise from intermixing with Cu(In,Ga)(S,Se) 2 (CIGS) or Cu 2ZnSn(S,Se) 4 (CZTS) absorber layers in thin-film photovoltaics. Using hybrid functional calculations, we characterize the electrical and optical behavior of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities in the buffer. We find that In and Ga substituted on the cation site act as shallow donors in CdS and tend to enhance the prevailing n-type conductivity at the interface facilitated by Cd incorporation in CIGS, whereas they are deep donors in ZnS and will be lessmore » effective dopants. Substitutional In and Ga can favorably form complexes with cation vacancies (A-centers) which may contribute to the “red kink” effect observed in some CIGS-based devices. For CZTS absorbers, we find that Zn and Sn defects substituting on the buffer cation site are electrically inactive in n-type buffers and will not supplement the donor doping at the interface as in CIGS/CdS or ZnS devices. Sn may also preferentially incorporate on the S site as a deep acceptor in n-type ZnS, which suggests possible concerns with absorber-related interfacial compensation in CZTS devices with ZnS-derived buffers. Cu, Na, and K impurities are found to all have the same qualitative behavior, most favorably acting as compensating acceptors when substituting on the cation site. Lastly, our results suggest one beneficial role of K and Na incorporation in CIGS or CZTS devices is the partial passivation of vacancy-related centers in CdS and ZnS buffers, rendering them less effective interfacial hole traps and recombination centers.« less

Improving the healthcare response to domestic violence and abuse in sexual health clinics: feasibility study of a training, support and referral intervention

PubMed Central

Sohal, Alex Hardip; Pathak, Neha; Blake, Sarah; Apea, Vanessa; Berry, Judith; Bailey, Jayne; Griffiths, Chris; Feder, Gene

2018-01-01

Objectives Sexual health and gynaecological problems are the most consistent and largest physical health differences between abused and non-abused female populations. Sexual health services are well placed to identify and support patients experiencing domestic violence and abuse (DVA). Most sexual health professionals have had minimal DVA training despite English National Institute for Health and Care Excellence recommendations. We sought to determine the feasibility of an evidence-based complex DVA training intervention in female sexual health walk-in services (IRIS ADViSE: Identification and Referral to Improve Safety whilst Assessing Domestic Violence in Sexual Health Environments). Methods An adaptive mixed method pilot study in the female walk-in service of two sexual health clinics. Following implementation and evaluation at site 1, the intervention was refined before implementation at site 2. The intervention comprised electronic prompts, multidisciplinary training sessions, clinic materials and simple referral pathways to IRIS ADViSE advocate-educators (AEs). The pilot lasted 7 weeks at site 1 and 12 weeks at site 2. Feasibility outcomes were to assign a supportive DVA clinical lead, an IRIS ADViSE AE employed by a local DVA service provider, adapt electronic records, develop local referral pathways, assess whether enquiry, identification and referral rates were measurable. Results Both sites achieved all feasibility outcomes: appointing a supportive DVA clinical lead and IRIS ADViSE AE, establishing links with a local DVA provider, adapting electronic records, developing local referral pathways and rates of enquiry, identification and referral were found to be measurable. Site 1: 10% enquiry rate (n=267), 4% identification rate (n=16) and eight AE referrals. Site 2: 61% enquiry rate (n=1090), a 7% identification rate (n=79) and eight AE referrals. Conclusions IRIS ADViSE can be successfully developed and implemented in sexual health clinics. It fulfils the unmet need for DVA training. Longer-term evaluation is recommended. PMID:28724743

High-Dimensional Modeling for Cytometry: Building Rock Solid Models Using GemStone™ and Verity Cen-se'™ High-Definition t-SNE Mapping.

PubMed

Bruce Bagwell, C

2018-01-01

This chapter outlines how to approach the complex tasks associated with designing models for high-dimensional cytometry data. Unlike gating approaches, modeling lends itself to automation and accounts for measurement overlap among cellular populations. Designing these models is now easier because of a new technique called high-definition t-SNE mapping. Nontrivial examples are provided that serve as a guide to create models that are consistent with data.

The Complexity of Parallel Algorithms,

DTIC Science & Technology

1985-11-01

programns have been written for se(luiential coiipn ters. Many p~eop~le want coimp ~ilers dihal. will c(nimpile t he, code for parallel machines, to avoid...between two vertices. We also rely on parallel algorithms for maintaining data structures and manipulating graphs. We do not go into the details of these...Jpatlis and maintain connected coimp ~onents. The routine is: - 35 .- ExtendPath(r, Q, V) begin P +-0; s 4- while there is a path in V - P from s to a vertex

Nitric Oxide Generating Polymeric Coatings for Subcutaneous Glucose Sensors

DTIC Science & Technology

2007-10-01

primary polymer which was then aminated (2) for attachment of (Boc)3-cyclen-N-acetic acid (1). After the conjugation via EDC coupling chemistry, the Boc...dipping procedure is repeated 5 times. This is the needle-type NO sensor currently used (e.g., Figure 4 device but w/o the SePEI and alginic acid ...Cha, M. E. Meyerhoff, " Polymethacrylates with Covalently Linked Cu(II)-Cyclen Complex for the In-Situ Generation of Nitric Oxide from Nitrosothiols in

A DFT study on surface-enhanced Raman spectroscopy of aromatic dithiol derivatives adsorbed on gold nanojunctions

NASA Astrophysics Data System (ADS)

You, Tingting; Lang, Xiufeng; Huang, Anping; Yin, Penggang

2018-01-01

A computational study on aromatic dithiol derivatives (HS-Ar-X-Ar-SH, X = O, S, Se, NH, CH2, Ndbnd N, CHdbnd CH, Ctbnd C) interacting with gold cluster(s) was presented to investigate the chemical enhancement mechanism related to surface-enhanced Raman spectroscopy (SERS) for molecular junctions. Density functional theory (DFT) were performed on derivatives molecules as well as their single-end-linked (SEL) or double-end-linked (DEL) complexes for geometric, spectra, electronic and excitation properties, leading to discussions on dominant factor during SERS process. The resulted enhancement factors of SEL and DEL complexes exhibited specific dependency on linking atom or functional group between two phenyls, which was in accordance with the variation of polarizabilities and molecule-cluster transition energy.

Dissolved metals and associated constituents in abandoned coal-mine discharges, Pennsylvania, USA. Part 2: Geochemical controls on constituent concentrations

USGS Publications Warehouse

Cravotta, C.A.

2008-01-01

Water-quality data for discharges from 140 abandoned mines in the Anthracite and Bituminous Coalfields of Pennsylvania reveal complex relations among the pH and dissolved solute concentrations that can be explained with geochemical equilibrium models. Observed values of pH ranged from 2.7 to 7.3 in the coal-mine discharges (CMD). Generally, flow rates were smaller and solute concentrations were greater for low-pH CMD samples; pH typically increased with flow rate. Although the frequency distribution of pH was similar for the anthracite and bituminous discharges, the bituminous discharges had smaller median flow rates; greater concentrations of SO4, Fe, Al, As, Cd, Cu, Ni and Sr; comparable concentrations of Mn, Cd, Zn and Se; and smaller concentrations of Ba and Pb than anthracite discharges with the same pH values. The observed relations between the pH and constituent concentrations can be attributed to (1) dilution of acidic water by near-neutral or alkaline ground water; (2) solubility control of Al, Fe, Mn, Ba and Sr by hydroxide, sulfate, and/or carbonate minerals; and (3) aqueous SO4-complexation and surface-complexation (adsorption) reactions. The formation of AlSO4+ and AlHSO42 + complexes adds to the total dissolved Al concentration at equilibrium with Al(OH)3 and/or Al hydroxysulfate phases and can account for 10-20 times greater concentrations of dissolved Al in SO4-laden bituminous discharges compared to anthracite discharges at pH of 5. Sulfate complexation can also account for 10-30 times greater concentrations of dissolved FeIII concentrations at equilibrium with Fe(OH)3 and/or schwertmannite (Fe8O8(OH)4.5(SO4)1.75) at pH of 3-5. In contrast, lower Ba concentrations in bituminous discharges indicate that elevated SO4 concentrations in these CMD sources could limit Ba concentrations by the precipitation of barite (BaSO4). Coprecipitation of Sr with barite could limit concentrations of this element. However, concentrations of dissolved Pb, Cu, Cd, Zn, and most other trace cations in CMD samples were orders of magnitude less than equilibrium with sulfate, carbonate, and/or hydroxide minerals. Surface complexation (adsorption) by hydrous ferric oxides (HFO) could account for the decreased concentrations of these divalent cations with increased pH. In contrast, increased concentrations of As and, to a lesser extent, Se with increased pH could result from the adsorption of these oxyanions by HFO at low pH and desorption at near-neutral pH. Hence, the solute concentrations in CMD and the purity of associated "ochres" formed in CMD settings are expected to vary with pH and aqueous SO4 concentration, with potential for elevated SO4, As and Se in ochres formed at low pH and elevated Cu, Cd, Pb and Zn in ochres formed at near-neutral pH. Elevated SO4 content of ochres could enhance the adsorption of cations at low pH, but decrease the adsorption of anions such as As. Such information on environmental processes that control element concentrations in aqueous samples and associated precipitates could be useful in the design of systems to reduce dissolved contaminant concentrations and/or to recover potentially valuable constituents in mine effluents.