Synthesis and Characterization of an Earth-Abundant Cu2BaSn(S,Se)4 Chalcogenide for Photoelectrochemical Cell Application.

PubMed

Shin, Donghyeop; Ngaboyamahina, Edgard; Zhou, Yihao; Glass, Jeffrey T; Mitzi, David B

2016-11-17

Cu 2 BaSnS 4-x Se x films consisting of earth-abundant metals have been examined for photocathode application. Films with different Se contents (i.e., Cu 2 BaSnS 4-x Se x with x ≤ 2.4) were synthesized using a cosputter system with post-deposition sulfurization/selenization annealing treatments. Each film adopts a trigonal P3 1 crystal structure, with progressively larger lattice constants and with band gaps shifting from 2.0 to 1.6 eV, as more Se substitutes for S in the parent compound Cu 2 BaSnS 4 . Given the suitable bandgap and earth-abundant elements, the Cu 2 BaSnS 4-x Se x films were studied as prospective photocathodes for water splitting. Greater than 6 mA/cm 2 was obtained under illumination at -0.4 V versus reversible hydrogen electrode for Pt/Cu 2 BaSnS 4-x Se x films with ∼60% Se content (i.e., x = 2.4), whereas a bare Cu 2 BaSnS 4-x Se x (x = 2.4) film yielded ∼3 mA/cm 2 at -0.4 V/RHE.

Tuning optical properties of transparent conducting barium stannate by dimensional reduction

DOE PAGES

Li, Yuwei; Zhang, Lijun; Ma, Yanming; ...

2015-01-30

We report calculations of the electronic structure and optical properties of doped n-type perovskite BaSnO 3 and layered perovskites. While doped BaSnO 3 retains its transparency for energies below the valence to conduction band onset, the doped layered compounds exhibit below band edge optical conductivity due to transitions from the lowest conduction band. This gives absorption in the visible for Ba 2SnO 4. It is important to minimize this phase in transparent conducting oxide (TCO) films. Ba 3Sn 2O 7 and Ba 4Sn 3O 10 have strong transitions only in the red and infrared, respectively. Thus, there may be opportunitiesmore » for using these as wavelength filtering TCO.« less

Why Sn doping significantly enhances the dielectric properties of Ba(Ti1-xSnx)O3

NASA Astrophysics Data System (ADS)

Shi, Tao; Xie, Lin; Gu, Lin; Zhu, Jing

2015-02-01

Through appropriate doping, the properties of BaTiO3-based ferroelectrics can be significantly enhanced. To determine the physical process induced by the doping of Sn atoms in Ba(Ti0.8Sn0.2)O3, we performed high-resolution scanning transmission electron microscopy experiments and observed that the regions with low Sn content formed polar nano regions (PNRs) embedded in the matrix in Ba(Ti0.8Sn0.2)O3. The interactions among Sn, Ti, Ba and O atoms were determined using first principles calculations. Based on the characteristics of the electronic structure and crystal lattice strain fields, the effects of doping with Sn were investigated. The Sn doping not only changed the electronic structure of the crystal but also increased the dielectric properties of the PNRs. Moreover, the Sn doping was also responsible for the diffuse phase transition of the Ba(Ti1-xSnx)O3 material. The effects mentioned in this paper are universal in lead-free ferroelectrics, and similar elements such as Sb, Mg, and Zr may have the same functions in other systems. Thus, these results provide guidance for the design of the doping process and new systems of ferroelectric or relaxor materials.

Why Sn doping significantly enhances the dielectric properties of Ba(Ti1-xSnx)O3

PubMed Central

Shi, Tao; Xie, Lin; Gu, Lin; Zhu, Jing

2015-01-01

Through appropriate doping, the properties of BaTiO3-based ferroelectrics can be significantly enhanced. To determine the physical process induced by the doping of Sn atoms in Ba(Ti0.8Sn0.2)O3, we performed high-resolution scanning transmission electron microscopy experiments and observed that the regions with low Sn content formed polar nano regions (PNRs) embedded in the matrix in Ba(Ti0.8Sn0.2)O3. The interactions among Sn, Ti, Ba and O atoms were determined using first principles calculations. Based on the characteristics of the electronic structure and crystal lattice strain fields, the effects of doping with Sn were investigated. The Sn doping not only changed the electronic structure of the crystal but also increased the dielectric properties of the PNRs. Moreover, the Sn doping was also responsible for the diffuse phase transition of the Ba(Ti1-xSnx)O3 material. The effects mentioned in this paper are universal in lead-free ferroelectrics, and similar elements such as Sb, Mg, and Zr may have the same functions in other systems. Thus, these results provide guidance for the design of the doping process and new systems of ferroelectric or relaxor materials. PMID:25721479

Superconductivity in the Sn-Ba-Sr-Y-Cu-O system

NASA Technical Reports Server (NTRS)

Aleksandrov, K. S.; Khrustalev, B. P.; Krivomazov, S. N.; Petrov, M. I.; Vasilyev, A. D.; Zwegintsev, S. A.

1991-01-01

After the discovery of high-T(sub c) superconductivity in the La-Ba-Cu-O compound, several families of superconducting oxides were synthesized. Here, researchers report the results of the search for superconductivity in the compounds based on tin which has a lone electron pair like Bi, Tl, and Pb. The following compounds were synthesized: Sn1Ba1Sr1Cu3O(sub x), Sn1Ba1Ca1Cu3O(sub x), Sn1Ba1Mg1Cu3O(sub x), Sn1Sr1Ca1Cu3O(sub x), Sn1Sr1Mg1Cu3O(sub x), and Sn1Ca1Mg1Cu3O(sub x). The initial components were oxides and carbonates of the appropriate elements. A standard firing-grinding procedure was used. Final heating was carried out at 960 C during 12 hours. Then the samples were cooled inside the furnace. All the synthesis cycles were carried out in air atmosphere. Among the synthesized compounds only Sn1Ba1Sr1Cu3O(sub x) showed remarkable conductivity. Other compounds were practically dielectrics. Presence of a possible superconductivity in Sn1Ba1Sr1Cu3O(sub x) was defined by using the Meissner effect. At low temperature a deviation from paramagnetic behavior is observed. The hysteresis loops obtained at lower temperature undoubtly testify to the presence of a superconductive phase in the sample. However, the part of the superconductive phase in the Sn1Ba1Sr1Cu3O(sub x) ceramic turned out to be small, less than 2 percent, which agrees with the estimation from magnetic data. In order to increase the content of the superconductive phase, two-valent cations Ba and Sr were partially substituted by univalent (K) and three-valent ones (Y).

SN 2015ba: a Type IIP supernova with a long plateau.

NASA Astrophysics Data System (ADS)

Dastidar, Raya; Misra, Kuntal; Hosseinzadeh, G.; Pastorello, A.; Pumo, M. L.; Valenti, S.; McCully, C.; Tomasella, L.; Arcavi, I.; Elias-Rosa, N.; Singh, Mridweeka; Gangopadhyay, Anjasha; Howell, D. A.; Morales-Garoffolo, Antonia; Zampieri, L.; Kumar, Brijesh; Turatto, M.; Benetti, S.; Tartaglia, L.; Ochner, P.; Sahu, D. K.; Anupama, G. C.; Pandey, S. B.

2018-06-01

We present optical photometry and spectroscopy from about a week after explosion to ˜272 d of an atypical Type IIP supernova, SN 2015ba, which exploded in the edge-on galaxy IC 1029. SN 2015ba is a luminous event with an absolute V-band magnitude of -17.1 ± 0.2 mag at 50 d since explosion and has a long plateau lasting for ˜123 d. The distance to the SN is estimated to be 34.8 ± 0.7 Mpc using the expanding photosphere and standard candle methods. High-velocity H Balmer components constant with time are observed in the late-plateau phase spectra of SN 2015ba, which suggests a possible role of circumstellar interaction at these phases. Both hydrodynamical and analytical modelling suggest a massive progenitor of SN 2015ba with a pre-explosion mass of 24-26 M⊙. However, the nebular spectra of SN 2015ba exhibit insignificant levels of oxygen, which is otherwise expected from a massive progenitor. This might be suggestive of the non-monotonical link between O-core masses and the zero-age main-sequence mass of pre-supernova stars and/or uncertainties in the mixing scenario in the ejecta of supernovae.

Practical and quality-control aspects of multi-element analysis with quadrupole ICP-MS with special attention to urine and whole blood.

PubMed

De Boer, Jan L M; Ritsema, Rob; Piso, Sjoerd; Van Staden, Hans; Van Den Beld, Wilbert

2004-07-01

Two screening methods were developed for rapid analysis of a great number of urine and blood samples within the framework of an exposure check of the population after a firework explosion. A total of 56 elements was measured including major elements. Sample preparation consisted of simple dilution. Extensive quality controls were applied including element addition and the use of certified reference materials. Relevant results at levels similar to those found in the literature were obtained for Co, Ni, Cu, Zn, Sr, Cd, Sn, Sb, Ba, Tl, and Pb in urine and for the same elements except Ni, Sn, Sb, and Ba in blood. However, quadrupole ICP-MS has limitations, mainly related to spectral interferences, for the analysis of urine and blood, and these cause higher detection limits. The general aspects discussed in the paper give it wider applicability than just for analysis of blood and urine-it can for example be used in environmental analysis.

Electronic Structure of I-M8Ga16Sn30 (M = Ba, Sr, Yb) by First-Principles Calculation

NASA Astrophysics Data System (ADS)

Wang, Jin-song; Liu, Hong-xia; Deng, Shuping; Li, De-cong; Shen, Lan-xian; Cheng, Feng; Deng, Shu-kang

2017-05-01

Sn-based clathrates possess excellent thermoelectric properties ascribed to their higher Seebeck coefficient and lower thermal conductivity. Guest atoms significantly modulate the thermoelectric properties of Sn-based calculates because of their diverse atomic radius and interactions with framework atoms. Thus, we explored the electronic structure of I-M8Ga16Sn30 (M = Ba, Sr, Yb) by first-principles calculation. Results revealed significant differences between Yb8Ga16Sn30 and M8Ga16Sn30 (M = Ba, Sr,). In particular, the Yb-filled compound substitution possesses lowest formation energy and the off-center distance of the Yb atom is the largest compared with the other structures. I-M8Ga16Sn30 (M = Ba, Sr, Yb) is an indirect band gap semiconductor, and the enhanced hybridization effect between the guest and framework atoms' orbits exists because the Yb f orbit results in a decrease in band gap. Ba- and Sr-filled clathrates have similar valence bands but slightly different conduction bands; however, Yb8Ga16Sn30 possess the spiculate density of states near the Fermi level that reveals excellent thermoelectric properties.

High-mobility BaSnO 3 grown by oxide molecular beam epitaxy

DOE PAGES

Raghavan, Santosh; Schumann, Timo; Kim, Honggyu; ...

2016-01-28

High-mobility perovskite BaSnO 3 films are of significant interest as newwide bandgap semiconductors for power electronics, transparent conductors, and as high mobility channels for epitaxial integration with functional perovskites. Despite promising results for single crystals, high-mobility BaSnO 3 films have been challenging to grow. Here, we demonstrate a modified oxide molecular beam epitaxy (MBE) approach, which supplies pre-oxidized SnO x. This technique addresses issues in the MBE of ternary stannates related to volatile SnO formation and enables growth of epitaxial, stoichiometric BaSnO 3. We demonstrate room temperature electron mobilities of 150 cm 2 V -1 s -1 in films grownmore » on PrScO 3. Lastly, the results open up a wide range of opportunities for future electronic devices.« less

Hair chemical element contents and influence factors of reproductive-age women in the West Ujimqin Banner, Inner Mongolia, China.

PubMed

Zhou, Shanshan; Yuan, Haodong; Ma, Xiaoling; Liu, Ying

2017-01-01

Women have an increased risk for chemical element deficiencies during reproductive age, particularly due to higher chemical element requirements and poor diets. Twenty-one chemical elements (Al, B, Ba, Ca, Cd, Co, Cr, Cu, Fe, Mg, Mn, Mo, Ni, Pb, Se, Si, Sn, Sr, Ti, V and Zn) in hair samples, which were collected from 71 non-pregnant and 236 pregnant women living in the West Ujimqin Banner, central Inner Mongolia, China, were measured, and the environment, dietary habits and ethnic group influence factors associated with the biomarker were analyzed. The results indicated that the average values of the chemical element contents from hair were greatly different compared to those from other areas, especially the Al, Cd, Pb, Ca and Sr contents. There was no significant difference among the three ethnicities for any element except Mn and Ti in non-pregnant women. Compared to non-pregnant women, in the first trimester group, the levels of nine chemical elements (Ba, Cd, Cu, Pb, Se, Si, Sn and Ti) decreased, while the others increased, and the contents of all of the chemical elements decreased in the second trimester group, while in the third trimester, there was a slight increase. Three chemical elements (Cu, Mn and Zn) displayed a synergistic correlation between each other in the third trimester group, which may protect the placenta from some oxidant damage. The high levels of Cd and Pb in hair likely originate from house renovations and traffic pollution. This study provided basic and useful information on the levels of chemical elements in reproductive-age women, and the results of this study are helpful to control the contents and improve the health of pregnant and non-pregnant women. Copyright © 2016 Elsevier Ltd. All rights reserved.

Tin doped PrBaFe 2O 5+δ anode material for solid oxide fuel cells

DOE PAGES

Dong, Guohui; Yang, Chunyang; He, Fei; ...

2017-04-25

Ceramic anodes have many advantages over cermet anodes for solid oxide fuel cells. We report the synthesis and characterization of Sn doped double perovskite PrBaFe (2-x)Sn xO 5+δ (x = 0–0.3) anode materials. Different crystal structures were observed depending on the Sn doping level and gas atmosphere. The materials demonstrated excellent stability in both reducing and redox atmospheres at elevated temperatures. The oxygen content in the as-prepared PrBaFe (2-x)Sn xO 5+δ was nonlinearly correlated to the Sn doping level and reached maximum values around x = 0.1. After the reducing treatment, the oxygen content linearly decreased with increasing Sn dopingmore » level. The electrical conductivity of bulk PrBaFe (2-x)Sn xO 5+δ (x = 0.1) reached 63.6 S cm -1 at 800 °C in humidified hydrogen. At 750 °C, the surface exchange coefficient and bulk diffusivity of PrBaFe (2-x)Sn xO 5+δ reached the maximum values of 4.42 × 10 -6 m s -1 and 6.04 × 10 -7 m 2 s -1, respectively, in the reducing process when the Sn doping level was x = 0.1. The activation energies of surface exchange coefficient and bulk diffusivity of PrBaFe (2-x)Sn xO 5+δ (x = 0.1) were 0.22 eV and 0.16 eV, respectively, in the reducing process. The area specific resistance of the PrBaFe (2-x)Sn xO 5+δ (x = 0.1) anode was 0.095–0.285 Ω cm 2 from 850–750 °C in humidified hydrogen, better than or comparable to the best ceramic anodes in the literature.« less

Investigation of physical and mechanical properties of (BaSnO3)x(Bi,Pb)-2223 composite

NASA Astrophysics Data System (ADS)

Habanjar, K.; Barakat, M. M. E.; Awad, R.

2017-07-01

The effect of BaSnO3 nanoparticles addition on the structural and mechanical properties of (Bi,Pb)-2223 superconducting phase by means of X-rays diffraction analysis (XRD), scanning electron microscope (SEM), electrical resistance and Vickers microhardness measurement was studied. BaSnO3 nanomaterial and (BaSnO3)x(Bi,Pb)-2223 superconducting samples were prepared using co-precipitation method and standard solid-state reaction techniques, respectively. From XRD data, the addition of BaSnO3 into (Bi,Pb)-2223 phase does not affect the tetragonal structure and the lattice parameters. SEM images indicate that the microstructure of (Bi,Pb)-2223 was enhanced by adding BaSnO3 nanoparticles by filling its pores and voids. The superconducting transition temperature Tc as well as the critical transport current density Jc, estimated from electrical resistivity measurements, are increased up to x = 0.5 wt%, then decreased with further increase in x. Vickers microhardness measurements Hv were carried out at room temperature as a function of applied. The experimental Hv results were analysed in view of Meyer’s law, Hays and Kendall (HK) approach, elastic/plastic deformation (EPD) and proportional specimen resistance (PSR). All samples exhibit normal indentation size effect (ISE), in addition to that, the analysis shows that the Hays and Kendall model is the most suitable one to describe the load independent microhardness for (BaSnO3)x(Bi,Pb)-2223 superconducting samples.

The crystal structure of tin sulphate, SnSO[subscript 4], and comparison with isostructural SrSO[subscript 4], PbSO[subscript 4], and BaSO[subscript 4

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

Antao, Sytle M.

2012-10-23

The crystal structure of tin (II) sulphate, SnSO{sub 4}, was obtained by Rietveld refinement using synchrotron high-resolution powder X-ray diffraction (HRPXRD) data. The structure was refined in space group Pbnm. The unit-cell parameters for SnSO{sub 4} are a = 7.12322(1), b = 8.81041(1), c = 5.32809(1) {angstrom}, and V = 334.383(1) {angstrom}{sup 3}. The average [12] distance is 2.9391(4) {angstrom}. However, the Sn{sup 2+} cation has a pyramidal [3]-coordination to O atoms and the average [3] = 2.271(1) {angstrom}. If Sn is considered as [12]-coordinated, SnSO{sub 4} has a structure similar to barite, BaSO{sub 4}, and its structuralmore » parameters are intermediate between those of BaSO{sub 4} and PbSO{sub 4}. The tetrahedral SO{sub 4} group has an average [4] = 1.472(1) {angstrom} in SnSO{sub 4}. Comparing SnSO{sub 4} with the isostructural SrSO{sub 4}, PbSO{sub 4}, and BaSO{sub 4}, several well-defined trends are observed. The radii, rM, of the M{sup 2+}(=Sr, Pb, Sn, and Ba) cations and average distances vary linearly with V because of the effective size of the M{sup 2+} cation. Based on the trend for the isostructural sulphates, the average [12] distance is slightly longer than expected because of the lone pair of electrons on the Sn{sup 2+} cation.« less

Sr{sub 7}Ge{sub 6}, Ba{sub 7}Ge{sub 6} and Ba{sub 3}Sn{sub 2} -Three new binary compounds containing dumbbells and four-membered chains of tetrel atoms with considerable Ge-Ge {pi}-bonding character

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

Siggelkow, Lisa; Hlukhyy, Viktor; Faessler, Thomas F., E-mail: thomas.faessler@lrz.tum.de

2012-07-15

The germanides Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} as well as the stannide Ba{sub 3}Sn{sub 2} were prepared by arc melting and annealing in welded tantalum ampoules using induction as well as resistance furnaces. The compounds were investigated by powder and single crystal X-ray diffraction. Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} crystallize in the Ca{sub 7}Sn{sub 6} structure type (space group Pmna, Z=4: a=7.777(2) A, b=23.595(4) A, c=8.563(2) A, wR{sub 2}=0.081 (all data), 2175 independent reflections, 64 variable parameters for Sr{sub 7}Ge{sub 6} and a=8.0853(6) A, b=24.545(2) A, c=8.9782(8) A, wR{sub 2}=0.085 (all data), 2307 independent reflections, 64more » variable parameters for Ba{sub 7}Ge{sub 6}). Ba{sub 3}Sn{sub 2} crystallizes in an own structure type with the space group P4{sub 3}2{sub 1}2, Z=4, a=6.6854(2) A, c=17.842(2) A, wR{sub 2}=0.037 (all data), 1163 independent reflections, 25 variable parameters. In Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} the Ge atoms are arranged as Ge{sub 2} dumbbells and Ge{sub 4} four-membered atom chains. Their crystal structures cannot be rationalized according to the (8-N) rule. In contrast, Ba{sub 3}Sn{sub 2} presents Sn{sub 2} dumbbells as a main structural motif and thereby can be described as an electron precise Zintl phase. The chemical bonding situation in these structures is discussed on the basis of partial and total Density Of States (DOS) curves, band structures including fatbands, topological analysis of the Electron Localization Function (ELF) as well as Bader analysis of the bond critical points using the programs TB-LMTO-ASA and WIEN2K. While Ba{sub 3}Sn{sub 2} reveals semiconducting behaviour, all germanides Ae{sub 7}Ge{sub 6} (Ae=Ca, Sr, and Ba) show metallic properties and a considerable {pi}-bonding character between the Ge atoms of the four-membered chains and the dumbbells. The {pi}-bonding character of the germanides is best reflected by the resonance hybrid structures {l_brace}[Ge-Ge]{sup 6-}/[Ge-{sup ....}Ge-{sup ....}Ge-{sup ....}Ge]{sup 8-}{r_brace}{r_reversible}{l_brace}[Ge=Ge]{sup 4-}/[Ge-Ge-Ge-Ge]{sup 10-}{r_brace}. - Graphical abstract: The structure of Ba{sub 3}Sn{sub 2} contains Sn{sub 2} dumbbells as a main structural motif and thereby can be described as an electron precise Zintl phase. Ge{sub 2} dumbbells and Ge{sub 4} four-membered atom chains are the predominant features in Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6}. Their crystal structures cannot be rationalized according to the (8-N) rule. While Ba{sub 3}Sn{sub 2} reveals semiconducting behaviour, the germanides Ae{sub 7}Ge{sub 6} (Ae=Ca, Sr, and Ba) show metallic properties and a considerable {pi}-bonding character between the Ge atoms of the four-membered chains and the dumbbells. Highlights: Black-Right-Pointing-Pointer The germanides Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} as well as the stannide Ba{sub 3}Sn{sub 2} have been synthesized. Black-Right-Pointing-Pointer In Sr{sub 7}Ge{sub 6} and Ba{sub 7}Ge{sub 6} the Ge atoms are arranged as dumbbells and four-membered atom chains. Black-Right-Pointing-Pointer Ba{sub 3}Sn{sub 2} presents Sn{sub 2} dumbbells as a main structural motif. Black-Right-Pointing-Pointer The chemical bonding situation within these structures is discussed.« less

Ba-filled Ni–Sb–Sn based skutterudites with anomalously high lattice thermal conductivity

DOE PAGES

Paschinger, W.; Rogl, Gerda; Grytsiv, A.; ...

2016-06-21

Here, in this study, novel filled skutterudites Ba yNi 4Sb 12-xSn x (y max = 0.93) have been prepared by arc melting followed by annealing at 250, 350 and 450°C up to 30 days in vacuum-sealed quartz vials. Extension of the homogeneity region, solidus temperatures and structural investigations were performed for the skutterudite phase in the ternary Ni–Sn–Sb and in the quaternary Ba–Ni–Sb–Sn systems. Phase equilibria in the Ni–Sn–Sb system at 450°C were established by means of Electron Probe Microanalysis (EPMA) and X-ray Powder Diffraction (XPD). With rather small cages Ni 4(Sb,Sn) 12, the Ba–Ni–Sn–Sb skutterudite system is perfectly suitedmore » to study the influence of filler atoms on the phonon thermal conductivity. Single-phase samples with the composition Ni 4Sb 8.2Sn 3.8, Ba 0.42Ni 4Sb 8.2Sn 3.8 and Ba 0.92Ni 4Sb 6.7Sn 5.3 were used to measure their physical properties, i.e. temperature dependent electrical resistivity, Seebeck coefficient and thermal conductivity. The resistivity data demonstrate a crossover from metallic to semiconducting behaviour. The corresponding gap width was extracted from the maxima in the Seebeck coefficient data as a function of temperature. Single crystal X-ray structure analyses at 100, 200 and 300 K revealed the thermal expansion coefficients as well as Einstein and Debye temperatures for Ba 0.73Ni 4Sb 8.1Sn 3.9 and Ba 0.95Ni 4Sb 6.1Sn 5.9. These data were in accordance with the Debye temperatures obtained from the specific heat (4.4 K < T < 140 K) and Mössbauer spectroscopy (10 K < T < 290 K). Rather small atom displacement parameters for the Ba filler atoms indicate a severe reduction in the “rattling behaviour” consistent with the high levels of lattice thermal conductivity. The elastic moduli, collected from Resonant Ultrasonic Spectroscopy ranged from 100 GPa for Ni 4Sb 8.2Sn 3.8 to 116 GPa for Ba 0.92Ni 4Sb 6.7Sn 5.3. The thermal expansion coefficients were 11.8 × 10 -6 K -1 for Ni 4Sb 8.2Sn 3.8 and 13.8 × 10 -6 K -1 for Ba 0.92Ni 4Sb 6.7Sn 5.3. The room temperature Vickers hardness values vary within the range from 2.6 GPa to 4.7 GPa. Lastly, severe plastic deformation via high-pressure torsion was used to introduce nanostructuring; however, the physical properties before and after HPT showed no significant effect on the materials thermoelectric behaviour.« less

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

Du, Mao -Hua; Singh, David J.; Zhang, Lijun

Oxides with good p-type conductivity have been long sought after to achieve high performance all-oxide optoelectronic devices. Divalent Sn(II) based oxides are promising candidates because of their rather dispersive upper valence bands caused by the Sn-5s/O-2p anti-bonding hybridization. There are so far few known Sn(II) oxides being p-type conductive suitable for device applications. Here, we present via first-principles global optimization structure searches a material design study for a hitherto unexplored Sn(II)-based system, ternary alkaline-earth metal Sn(II) oxides in the stoichiometry of MSn 2O 3 (M = Mg, Ca, Sr, Ba). We identify two stable compounds of SrSn 2O 3 andmore » BaSn 2O 3, which can be stabilized by Sn-rich conditions in phase stability diagrams. Their structures follow the Zintl behaviour and consist of basic structural motifs of SnO 3 tetrahedra. Unexpectedly they show distinct electronic properties with band gaps ranging from 1.90 (BaSn 2O 3) to 3.15 (SrSn 2O 3) eV, and hole effective masses ranging from 0.87 (BaSn 2O 3) to above 6.0 (SrSn 2O 3) m0. Further exploration of metastable phases indicates a wide tunability of electronic properties controlled by the details of the bonding between the basic structural motifs. Lastly, this suggests further exploration of alkaline-earth metal Sn(II) oxides for potential applications requiring good p-type conductivity such as transparent conductors and photovoltaic absorbers.« less

Band gap and mobility of epitaxial perovskite BaSn1 -xHfxO3 thin films

NASA Astrophysics Data System (ADS)

Shin, Juyeon; Lim, Jinyoung; Ha, Taewoo; Kim, Young Mo; Park, Chulkwon; Yu, Jaejun; Kim, Jae Hoon; Char, Kookrin

2018-02-01

A wide band-gap perovskite oxide BaSn O3 is attracting much attention due to its high electron mobility and oxygen stability. On the other hand, BaHf O3 was recently reported to be an effective high-k gate oxide. Here, we investigate the band gap and mobility of solid solutions of BaS n1 -xH fxO3 (x =0 -1 ) (BSHO) as a basis to build advanced perovskite oxide heterostructures. All the films were epitaxially grown on MgO substrates using pulsed laser deposition. Density functional theory calculations confirmed that Hf substitution does not create midgap states while increasing the band gap. From x-ray diffraction and optical transmittance measurements, the lattice constants and the band-gap values are significantly modified by Hf substitution. We also measured the transport properties of n -type La-doped BSHO films [(Ba ,La ) (Sn ,Hf ) O3 ] , investigating the feasibility of modulation doping in the BaSn O3/BSHO heterostructures. The Hall measurement data revealed that, as the Hf content increases, the activation rate of the La dopant decreases and the scattering rate of the electrons sharply increases. These properties of BSHO films may be useful for applications in various heterostructures based on the BaSn O3 system.

Design of ternary alkaline-earth metal Sn(II) oxides with potential good p-type conductivity

DOE PAGES

Du, Mao -Hua; Singh, David J.; Zhang, Lijun; ...

2016-04-19

Oxides with good p-type conductivity have been long sought after to achieve high performance all-oxide optoelectronic devices. Divalent Sn(II) based oxides are promising candidates because of their rather dispersive upper valence bands caused by the Sn-5s/O-2p anti-bonding hybridization. There are so far few known Sn(II) oxides being p-type conductive suitable for device applications. Here, we present via first-principles global optimization structure searches a material design study for a hitherto unexplored Sn(II)-based system, ternary alkaline-earth metal Sn(II) oxides in the stoichiometry of MSn 2O 3 (M = Mg, Ca, Sr, Ba). We identify two stable compounds of SrSn 2O 3 andmore » BaSn 2O 3, which can be stabilized by Sn-rich conditions in phase stability diagrams. Their structures follow the Zintl behaviour and consist of basic structural motifs of SnO 3 tetrahedra. Unexpectedly they show distinct electronic properties with band gaps ranging from 1.90 (BaSn 2O 3) to 3.15 (SrSn 2O 3) eV, and hole effective masses ranging from 0.87 (BaSn 2O 3) to above 6.0 (SrSn 2O 3) m0. Further exploration of metastable phases indicates a wide tunability of electronic properties controlled by the details of the bonding between the basic structural motifs. Lastly, this suggests further exploration of alkaline-earth metal Sn(II) oxides for potential applications requiring good p-type conductivity such as transparent conductors and photovoltaic absorbers.« less

Year-2017 nuclear quadrupole moments

NASA Astrophysics Data System (ADS)

Pyykkö, Pekka

2018-05-01

A 'year-2017' set of nuclear quadrupole moments, Q, is presented. Compared to the previous, 'year-2008' set, a major revision of the value, or an improvement of the accuracy is reported for 21H, 37, 3918Ar, 39, 40, 4119K, 6730Zn, 48Cd, 49In, 50Sn (Mössbauer state), 51Sb, 87Fr and 90Th. Slight improvements or valuable reconfirmations exist for 4Be, 6C, 16S, 17Cl, 33As, 35Br, 53I, 54Xe, 56Ba, 57La and 72Hf.

Crystal structure and proton conductivity of BaSn0.6Sc0.4O3–δ: insights from neutron powder diffraction and solid-state NMR spectroscopy† †Electronic supplementary information (ESI) available: Rietveld fit of dry BaSn0.6Sc0.4O3–δ sample (Fig. S1). 119Sn (Fig. S2), 45Sc (Fig. S3–S6) and 17O (Fig. S7) spectra of all materials as a function of Sc doping concentration, 45Sc MQMAS of deuterated BaSn0.9Sc0.1O3–δ (Fig. S4), 45Sc MQMAS of dry and deuterated BaSn0.8Sc0.2O3–δ (Fig. S5), 45Sc MQMAS of dry and deuterated BaSn0.7Sc0.3O3–δ (Fig. S6), 17O MQMAS of 17O enriched BaSn0.8Sc0.2O3–δ and BaSn0.6Sc0.4O3–δ (Fig. S8). See DOI: 10.1039/c5ta09744d Click here for additional data file.

PubMed Central

Norberg, Stefan T.; Knee, Christopher S.; Ahmed, Istaq; Hull, Stephen; Buannic, Lucienne; Hung, Ivan; Gan, Zhehong; Blanc, Frédéric; Grey, Clare P.; Eriksson, Sten G.

2016-01-01

The solid-state synthesis and structural characterisation of perovskite BaSn1–xScxO3–δ (x = 0.0, 0.1, 0.2, 0.3, 0.4) and its corresponding hydrated ceramics are reported. Powder and neutron X-ray diffractions reveal the presence of cubic perovskites (space group Pm3m) with an increasing cell parameter as a function of scandium concentration along with some indication of phase segregation. 119Sn and 45Sc solid-state NMR spectroscopy data highlight the existence of oxygen vacancies in the dry materials, and their filling upon hydrothermal treatment with D2O. It also indicates that the Sn4+ and Sc3+ local distribution at the B-site of the perovskite is inhomogeneous and suggests that the oxygen vacancies are located in the scandium dopant coordination shell at low concentrations (x ≤ 0.2) and in the tin coordination shell at high concentrations (x ≥ 0.3). 17O NMR spectra on 17O enriched BaSn1–xScxO3–δ materials show the existence of Sn–O–Sn, Sn–O–Sc and Sc–O–Sc bridging oxygen environments. A further room temperature neutron powder diffraction study on deuterated BaSn0.6Sc0.4O3–δ refines the deuteron position at the 24k crystallographic site (x, y, 0) with x = 0.579(3) and y = 0.217(3) which leads to an O–D bond distance of 0.96(1) Å and suggests tilting of the proton towards the next nearest oxygen. Proton conduction was found to dominate in wet argon below 700 °C with total conductivity values in the range 1.8 × 10–4 to 1.1 × 10–3 S cm–1 between 300 and 600 °C. Electron holes govern the conduction process in dry oxidizing conditions, whilst in wet oxygen they compete with protonic defects leading to a wide mixed conduction region in the 200 to 600 °C temperature region, and a suppression of the conductivity at higher temperature. PMID:27358734

Investigations on the direct introduction of cigarette smoke for trace elements analysis by inductively coupled plasma mass spectrometry

NASA Astrophysics Data System (ADS)

Chang, Michael J.; Naworal, John D.; Walker, Kathleen; Connell, Chris T.

2003-11-01

Direct introduction of mainstream cigarette smoke into an inductively coupled plasma mass spectrometry (ICP-MS) has been investigated with respect to its feasibility for on-line analysis of trace elements. An automated apparatus was designed and built interfacing a smoking machine with an ICP-MS for smoke generation, collection, injection and analysis. Major and minor elements present in the particulate phase and the gas phase of mainstream cigarette smoke of 2R4F reference cigarettes have been qualitatively identified by examination of their full mass spectra. This method provides a rapid-screening analysis of the transfer of trace elements into mainstream smoke during cigarette combustion. A full suite of elements present in the whole cigarette smoke has been identified, including As, B, Ba, Br, Cd, Cl, Cs, Cu, Hg, I, K, Li, Mn, Na, Pb, Rb, Sb, Sn, Tl and Zn. Of these elements, the major portions of B, Ba, Cs, Cu, K, Li, Mn, Na, Pb, Rb, Sn, Tl and Zn are present in the particulate phase, whereas the major portion of Hg is present in the gas phase. As, Br, Cd, Cl, I and Sb exist in a distribution between the gas phase and the particulate phase. Depending on the element, the precision of measurement ranges from 5 to 25% in terms of relative standard deviation of peak height and peak area, based on the fourth puff of 2R4F mainstream cigarette smoke analyzed in five smoking replicates.

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

Prakash, Abhinav, E-mail: praka019@umn.edu; Dewey, John; Yun, Hwanhui

Owing to its high room-temperature electron mobility and wide bandgap, BaSnO{sub 3} has recently become of significant interest for potential room-temperature oxide electronics. A hybrid molecular beam epitaxy (MBE) approach for the growth of high-quality BaSnO{sub 3} films is developed in this work. This approach employs hexamethylditin as a chemical precursor for tin, an effusion cell for barium, and a radio frequency plasma source for oxygen. BaSnO{sub 3} films were thus grown on SrTiO{sub 3} (001) and LaAlO{sub 3} (001) substrates. Growth conditions for stoichiometric BaSnO{sub 3} were identified. Reflection high-energy electron diffraction (RHEED) intensity oscillations, characteristic of a layer-by-layermore » growth mode were observed. A critical thickness of ∼1 nm for strain relaxation was determined for films grown on SrTiO{sub 3} using in situ RHEED. Scanning transmission electron microscopy combined with electron energy-loss spectroscopy and energy dispersive x-ray spectroscopy confirmed the cube-on-cube epitaxy and composition. The importance of precursor chemistry is discussed in the context of the MBE growth of BaSnO{sub 3}.« less

The Role of Annealing Process in Ag-Based BaSnO3 Multilayer Thin Films.

PubMed

Wu, Muying; Yu, Shihui; He, Lin; Yang, Lei; Zhang, Weifeng

2016-12-01

The BaSnO3/Ag/BaSnO3 multilayer structure was designed and fabricated on a quartz glass by magnetron sputtering, followed by an annealing process at a temperature from 150 to 750 °C in air. In this paper, we investigated the influence of the annealing temperature on the structural, optical, and electrical properties of the multilayers and proposed the mechanisms of conduction and transmittance. The maximum value of the figure of merit of 31.8 × 10(-3) Ω(-1) was achieved for the BaSnO3/Ag/BaSnO3 multilayer thin films annealed at 150 °C, while the average optical transmittance in the visible ranges was >84 %, the resistivity was 5.71 × 10(-5) Ω cm, and the sheet resistance was 5.57 Ω/sq. When annealed at below 600 °C, the values of resistivity and transmittance of the multilayers were within an acceptable range (resistivity <5.0 × 10(-4) Ω cm, transmittance >80 %). The observed property of the multilayer film is suitable for the application of transparent conductive electrodes.

Enhanced electron mobility at the two-dimensional metallic surface of BaSnO3 electric-double-layer transistor at low temperatures

NASA Astrophysics Data System (ADS)

Fujiwara, Kohei; Nishihara, Kazuki; Shiogai, Junichi; Tsukazaki, Atsushi

2017-05-01

Wide-bandgap oxides exhibiting high electron mobility hold promise for the development of useful electronic and optoelectronic devices as well as for basic research on two-dimensional electron transport phenomena. A perovskite-type tin oxide, BaSnO3, is currently one of such targets owing to distinctly high mobility at room temperature. The challenge to overcome towards the use of BaSnO3 thin films in applications is suppression of dislocation scattering, which is one of the dominant scattering origins for electron transport. Here, we show that the mobility of the BaSnO3 electric-double-layer transistor reaches 300 cm2 V-1 s-1 at 50 K. The improved mobility indicates that charged dislocation scattering is effectively screened by electrostatically doped high-density charge carriers. We also observed metallic conduction persisting down to 2 K, which is attributed to the transition to the degenerate semiconductor. The experimental verification of bulk-level mobility at the densely accumulated surface sheds more light on the importance of suppression of dislocation scattering by interface engineering in doped BaSnO3 thin films for transparent electrode applications.

Synthesis of the new quaternary sulfides K[sub 2]Y[sub 4]Sn[sub 2]S[sub 11] and BaLnAgS[sub 3] (Ln = Er, Y, Gd) and the structures of K[sub 2]Y[sub 4]Sn[sub 2]S[sub 11] and BaErAgS[sub 3

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

Wu, Ping; Ibers, J.A.

1994-05-01

Several new quarternary sulfides, K[sub 2]Y[sub 4]Sn[sub 2]S[sub 11] and BaLnAgS[sub 3] (Ln = Er, Y, Gd), have been synthesized by the reaction of the constituent binary chalcogenides and elements at 1000[degrees]C. The crystal structures of K[sub 2]Y[sub 4]Sn[sub 2]S[sub 11] and BaErAgS[sub 3] have been determined by single-crystal X-ray diffraction techniques. Crystal data: K[sub 2]Y[sub 4]Sn[sub 2]S[sub 11]-space group D[sup 8][sub 4h] - P4/ncc, M = 1023.88, Z = 4, a = 8.587(1), c = 27.892(4) [angstrom] (T = 115 K), V = 2056.7(4) [angstrom][sup 3], R[sub W](F[sup 2]) = 0.093 for 1965 observations having F[sup 2][sub 0] >more » 2[sigma](F[sup 2][sub 0]); BaEr AgS[sub 3]-space group C[sup 3][sub 2H] - C2/m, M = 508.65, Z = 4, a = 17.340(4), b = 4.014(1), x = 8.509(2) [angstrom], [beta] = 103.23(3)[degrees], (T = 115 K), V = 576.5(2) [angstrom][sup 3], R[sub W](F[sup 2]) = 0.049 for 1404 observations and 48 variables, R(F) = 0.018 for 1299 observations having F[sup 2][sub 0] > 2[sigma](F[sup 2][sub 0]). In both structures, the rare-earth atoms have octahedral coordination and the octahedra form slabs through edge- and corner-sharing. These slabs are separated by K[sup +] Ba[sup 2+] cations, and are crosslinked into three-dimensional frameworks by Sn[sub 2]S[sub 6] units as edge-sharing SnS[sub 4] tetrahedral pairs in K[sub 2]Y[sub 4]Sn[sub 2]S[sub 11], and by Ag[sub 2]S[sub 9] units as corner-sharing trigonal-bipyramidal AgS[sub 5] pairs in BaEr AgS[sub 3]. From their powder diffraction patterns, BaYAgS[sub 3] and Ba GdAgS[sub 3] appear to be isostructural with BaErAgS[sub 3].« less

Structure and transport in high pressure oxygen sputter-deposited BaSnO{sub 3−δ}

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

Ganguly, Koustav; Ambwani, Palak; Xu, Peng

BaSnO{sub 3} has recently been identified as a high mobility wide gap semiconductor with significant potential for room temperature oxide electronics. Here, a detailed study of the high pressure oxygen sputter-deposition, microstructure, morphology, and stoichiometry of epitaxial BaSnO{sub 3} on SrTiO{sub 3}(001) and MgO(001) is reported, optimized conditions resulting in single-phase, relaxed, close to stoichiometric films. Most significantly, vacuum annealing is established as a facile route to n-doped BaSnO{sub 3−δ}, leading to electron densities above 10{sup 19} cm{sup −3}, 5 mΩ cm resistivities, and room temperature mobility of 20 cm{sup 2} V{sup −1} s{sup −1} in 300-Å-thick films on MgO(001).more » Mobility limiting factors, and the substantial scope for their improvement, are discussed.« less

Synthesis and first-principle calculations of the structural and electronic properties of Ge-substituted type-VIII Ba8Ga16Sn30 clathrate

NASA Astrophysics Data System (ADS)

Shen, Lanxian; Li, Decong; Liu, Hongxia; Liu, Zuming; Deng, Shukang

2016-12-01

In this study, the structural and electronic structural properties of Ba8Ga16Sn30-xGex (0≤x≤30) are determined by the first-principle method on the basis of density functional theory. Consistent with experimental findings, calculated results reveal that Ge atoms preferentially occupy the 2a and 24g sites in these compounds. As the content of Ge in Ge-substituted clathrate is increased, the lattice parameter is decreased, and the structural stability is enhanced. The bandgaps of the compound at 1≤x≤10 are smaller than those of Ba8Ga16Sn30. By contrast, the bandgaps of the compound at x>10 are larger than those of Ba8Ga16Sn30. The substitution of Ge for Sn affects p-type conductivity but not n-type conductivity. As Ge content increases, the whole conduction band moves to the direction of high energy, and the density of states of valence-band top decreases. The calculated potential energy versus displacement of Ba indicates that the vibration energy of this atom increases as cage size decreases. Because Ge substitution also affects clathrate structural symmetry, the distance of Ba atom deviation from the center of the cage initially increases and subsequently decreases as the Ge content increases.

Synthesis of MSnO{sub 3} (M = Ba, Sr) nanoparticles by reverse micelle method and particle size distribution analysis by whole powder pattern modeling

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

Ahmed, Jahangeer; Blakely, Colin K.; Bruno, Shaun R.

2012-09-15

Highlights: ► BaSnO{sub 3} and SrSnO{sub 3} nanoparticles synthesized using the reverse micelle method. ► Particle size and size distribution studied by whole powder pattern modeling. ► Nanoparticles are of optimal size for investigation in dye-sensitized solar cells. -- Abstract: Light-to-electricity conversion efficiency in dye-sensitized solar cells critically depends not only on the dye molecule, semiconducting material and redox shuttle selection but also on the particle size and particle size distribution of the semiconducting photoanode. In this study, nanocrystalline BaSnO{sub 3} and SrSnO{sub 3} particles have been synthesized using the microemulsion method. Particle size distribution was studied by whole powdermore » pattern modeling which confirmed narrow particle size distribution with an average size of 18.4 ± 8.3 nm for SrSnO{sub 3} and 15.8 ± 4.2 nm for BaSnO{sub 3}. These values are in close agreement with results of transmission electron microscopy. The prepared materials have optimal microstructure for successive investigation in dye-sensitized solar cells.« less

Enhancement of ferromagnetic properties in composites of BaSnO3 and CoFe2O4

NASA Astrophysics Data System (ADS)

Manju, M. R.; Ajay, K. S.; D'Souza, Noel M.; Hunagund, Shivakumar; Hadimani, R. L.; Dayal, Vijaylakshmi

2018-04-01

In this paper, we report structural and magnetic properties of BaSnO3(BSO)(1-x)-CoFe2O4 (CFO)(x) composite (with x = 0%, 1% (C1), 2% (C2) and 5% (C3) in molar ratio) synthesized using nitrate precursor method. The X-ray diffraction (XRD) pattern of the composite powder confirmed presence of both BaSnO3 with the cubic perovskite structure and CoFe2O4 with the cubic spinel structure. No signature of any other phases in pure BaSnO3, CoFe2O4 and composites have been detected either in XRD or energy dispersive X-ray (EDS) analysis. The temperature dependent zero field cooled (ZFC) & field cooled (FC) magnetization and magnetic field dependence magnetization measurements have been carried at room temperature of the pure BaSnO3. We observe a weak ferromagnetic (FM) behavior at room temperature in pure BaSnO3 even though it is non-magnetic in nature. The room temperature Raman spectroscopy and electron spin resonance measurements of the sample confirm the presence of oxygen vacancy and formation of F-center, which is responsible for the FM behavior. The oxidation state and elemental analysis have been carried out using X-ray photoelectron spectroscopy (XPS). The magnetic field dependence of magnetization of the composite samples reveal increase of saturation magnetization (Ms), remanence magnetization (Mr) and coercivity (Hc) with increase in ferrite content in the composite. Significant enhancement in FM components is observed with lowering of temperature.

Trace element concentrations in needles and bark of Larix Sibirica within the Mo-W ore field (Buryat Republic, Russia)

NASA Astrophysics Data System (ADS)

Timofeev, Ivan; Kosheleva, Natalia

2016-04-01

The present study aims to assess the changes in the trace element (TE) composition of Larix Sibirica species growing in the impact area of Dzhida Mo-W plant in the Zakamensk city. The objectives of the study were: (1) to reveal the biogeochemical background features and changes in the TE composition of larch needles and bark in the mining region; (2) to determine patterns of spatial distribution of TE content in larch organs; (3) to assess the ecological state of larch plantation in different land-use zones of the city. A landscape-geochemical survey of the territory was carried out in summer of 2013. Total of 21 mixed (taken from 3-5 trees) samples of needles and bark were collected in undisturbed and different land-use areas. The bulk contents of TEs in dry plant samples were analyzed by mass spectrometry with induced coupled plasma. Sixteen priority pollutants were selected for thorough analysis, including elements of hazard classes I (Zn, As, Pb, Cd), II (Cr, Co, Ni, Cu, Mo, Sb), III (V, Sr, Ba, W), and some others (Sn, Bi). Concentrations of TEs (C_b) in background trees were compared with the global clarks (C_g) for annual increment of terrestrial vegetation (Dobrovol'skii 2003) via calculating the global enrichment EF_g=C_b/Cg and dispersion factors DF_g=C_g/C_b}. The concentrations of the elements in the urban samples Ci were grouped depending on the type of land use and compared with the background (C_b) via calculating the local enrichment EF_l=C_i/Cb and dispersion factors DF_l=C_b/C_i. The ecological state of the urban plants was diagnosed using three TE ratios. The Fe/Mn ratio represents photosynthetic activity with optimum value 1.5-2.5. The Pb/Mn ratio characterizes balance between technogenic and biophilic elements, its value for unpolluted terrestrial plants is 0.006. The Cu/Zn ratio determines the proportionality in the provision of enzyme synthesis with these metals, its optimum value is 0.27. TE composition of needles of background larch is characterized by increased concentrations of ?? ? Mn (EF_g=2.9) ? Sr (1.5), and reduced ones for Ni, Co, Pb, Mo, Sn, V (DF_l=5.1-22.1), that of Cd, Cu, Zn are close to global clarks. Ba, Pb, Cd (EF_g=3.5-2.3) are accumulated in the bark, Cu, Zn, Co, Cr, Ni, Sn dissipate (DF_g=2.1-3.7), and the content of Mn, Sr, Mo, V, As is close to Cg. In the city larch needles accumulate Cr (EF_l=37.8), W (18.9), V, Pb, Bi (8.6-11.4), Sb, Ni, Cd, Sn (6.6-2.5); Mn (DF_l=3.1) is among scattered. Changes in the TE composition of larch bark is most clearly evident in the industrial area, where high concentrations of W, Sn (EF_l=5.4-6.6), Sb, Pb, As (2.8-3.4), Mo, Cd, V, Bi, Zn (1.5-2.0) and low ones -- of Cr, Ni, Co, Ba (DF_l=4.6-2.1) are observed. As an indicator of long-term pollution, bark displays that vegetation of industrial zone has been subject previously to most intense anthropogenic impact, so, Pb/Mn=0.06 was there the highest. After plant closing residential area experiences the greatest impact according to Fe/Mn=4.7; Pb/Mn=0.04 values in the needles. This is caused by the active transport of aeolian dry material of tailings. 1. Dobrovol'skii VV (2003) Basics of biogeochemistry: the textbook for students of higher educational institutions. Moscow, "Academia" Publ., 400 p.

Anode materials for lithium ion batteries

DOEpatents

Abouimrane, Ali; Amine, Khalil

2017-04-11

An electrochemical device includes a composite material of general Formula (1-x)J-(x)Q wherein: J is a metal carbon alloy of formula Sn.sub.zSi.sub.z'Met.sub.wMet'.sub.w'C.sub.t; Q is a metal oxide of formula A.sub..gamma.M.sub..alpha.M'.sub..alpha.'O.sub..beta.; and wherein: A is Li, Na, or K; M and M' are individually Ge, Mo, Al, Ga, As, Sb, Te, Ti, Ta, Zr, Ca, Mg, Sr, Ba, Li, Na, K, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Nb, Rt, Ru or Cd; Met and Met' are individually Ge, Mo, Al, Ga, As, Sb, Te, Ti, Ta, Zr, Ca, Mg, Sr, Ba, Li, Na, K, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Nb, Rt, Ru or Cd; 0

Employing overlayers to improve the performance of Cu 2BaSnS 4 thin film based photoelectrochemical water reduction devices

DOE PAGES

Ge, Jie; Roland, Paul J.; Koirala, Prakash; ...

2017-01-19

Earth-abundant copper-barium-thiostannate Cu 2BaSnS 4 (CBTS)-based thin films have recently been reported to exhibit the optoelectronic and defect properties suitable as absorbers for photoelectrochemical (PEC) water splitting and the top cell of tandem photovoltaic solar cells. However, the photocurrents of CBTS-based PEC devices are still much lower than the theoretical value, partially due to ineffective charge collection at CBTS/water interface and instability of CBTS in electrolytes. Here, we report on overcoming these issues by employing overlayer engineering. We find that CdS/ZnO/TiO 2 overlayers can significant-ly improve the PEC performance, achieving saturated cathodic photocurrents up to 7.8 mA cm -2 atmore » the potential of -0.10 V versus reversible hydrogen electrode (RHE) in a neutral electrolyte solution, which is much higher than the best bare CBTS film attaining a photocurrent of 4.8 mA cm -2 at the potential of -0.2 V versus RHE. Finally, our results suggest a viable approach for improving the performance of CBTS-based PEC cells.« less

Structural, electronic, optical and thermoelectric investigations of antiperovskites A3SnO (A = Ca, Sr, Ba) using density functional theory

NASA Astrophysics Data System (ADS)

Hassan, M.; Shahid, A.; Mahmood, Q.

2018-02-01

Density functional theory study of the structural, electrical, optical and thermoelectric behaviors of very less investigated anti-perovskites A3SnO (A = Ca, Sr, Ba) is performed with FP-LAPW technique. The A3SnO exhibit narrow direct band gap, in contrast to the wide indirect band gap of the respective perovskites. Hence, indirect to direct band gap transformation can be realized by the structural transition from perovskite to anti-perovskite. The p-p hybridization between A and O states result in the covalent bonding. The transparency and maximum reflectivity to the certain energies, and the verification of the Penn's model indicate potential optical device applications. Thermoelectric behaviors computed within 200-800 K depict that Ca3SnO exhibits good thermoelectric performance than Ba3SnO and Sr3SnO, and all three operate at their best at 800 K suggesting high temperature thermoelectric device applications.

Origins of n -type doping difficulties in perovskite stannates

NASA Astrophysics Data System (ADS)

Weston, L.; Bjaalie, L.; Krishnaswamy, K.; Van de Walle, C. G.

2018-02-01

The perovskite stannates (A SnO3 ; A = Ba, Sr, Ca) are promising for oxide electronics, but control of n -type doping has proved challenging. Using first-principles hybrid density functional calculations, we investigate La dopants and explore the formation of compensating acceptor defects. We find that La on the A site always behaves as a shallow donor, but incorporation of La on the Sn site can lead to self-compensation. At low La concentrations and in O-poor conditions, oxygen vacancies form in BaSnO3. A -site cation vacancies are found to be dominant among the native compensating centers. Compared to BaSnO3, charge compensation is a larger problem for the wider-band-gap stannates, SrSnO3 and CaSnO3, a trend we can explain based on conduction-band alignments. The formation of compensating acceptor defects can be inhibited by choosing oxygen-poor (cation-rich) growth or annealing conditions, thus providing a pathway for improved n -type doping.

Effects of La-doped BaSnO3epitaxial electrode on the ferroelectric properties of BaTiO3

NASA Astrophysics Data System (ADS)

Lee, Hahoon; Kim, Young Mo; Kim, Youjung; Shin, Juyeon; Char, Kookrin

In order to integrate the newly discovered high-mobility perovskite semiconductor BaSnO3 with a ferroelectric perovskite, we have grown epitaxial ferroelectric BaTiO3 (BTO) on top of the 4 % La-doped BaSnO3 (BLSO). X-ray diffraction measurement suggests that the BTO film on top of BLSO electrode is tensilely strained due to the larger lattice constant of BLSO. An all epitaxial sandwich structure of BLSO/BTO/BLSO was fabricated in order to measure the ferroelectric properties of the BTO under tensile strain. The polarization-electric field (P-E) hysteresis curve will be discussed from the viewpoint of the tensile strain. In addition, the breakdown field will be measured to evaluate the potential of BTO for a gate oxide on top of BLSO. Samsung science and technology foundation.

Average and local structure of the Pb-free ferroelectric perovskites ( Sr , Sn ) TiO 3 and ( Ba , Ca , Sn ) TiO 3

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

Laurita, Geneva; Page, Katharine; Suzuki, Shoichiro

2015-12-16

The characteristic structural off -centering of Pb 2+ in oxides, associated with its 6s 2 lone pair, allows it to play a dominant role in polar materials, and makes it a somewhat ubiquitous component of ferroelectrics. In this work, we examine the compounds Sr 0.9Sn 0.1TiO 3 and Ba 0.79Ca 0.16Sn 0.05TiO 3 using neutron total scattering techniques with data acquired at di erent temperatures. In these compounds, previously reported as ferroelectrics, Sn 2+ appears to display some of the characteristics of Pb 2+. We compare the local and long-range structures of the Sn2+-substituted compositions to the unsubstituted parent compoundsmore » SrTiO 3 and BaTiO 3. Lastly, we find that even at these small substitution levels, the Sn 2+ lone pairs drive the local ordering behavior, with the local structure of both compounds more similar to the structure of PbTiO 3 rather than the parent compounds.« less

CdS/CdSe co-sensitized SnO2 photoelectrodes for quantum dots sensitized solar cells

NASA Astrophysics Data System (ADS)

Lin, Yibing; Lin, Yu; Meng, Yongming; Tu, Yongguang; Zhang, Xiaolong

2015-07-01

SnO2 nanoparticles were synthesized by hydrothermal method and applied to photo-electrodes of quantum dots-sensitized solar cells (QDSSCs). After sensitizing SnO2 films via CdS quantum dots, CdSe quantum dots was decorated on the surface of CdS/SnO2 photo-electrodes to further improve the power conversion efficiency. CdS and CdSe quantum dots were deposited by successive ionic layer absorption and reaction method (SILAR) and chemical bath deposition method (CBD) respectively. Scanning electron microscopy (SEM), transmission electron microscopy (TEM) and X-ray diffraction (XRD) were used to identify the surface profile and crystal structure of SnO2 photo-electrodes before and after deposited quantum dots. After CdSe co-sensitized process, an overall power conversion efficiency of 1.78% was obtained in CdSe/CdS/SnO2 QDSSC, which showed 66.4% improvement than that of CdS/SnO2 QDSSC.

Synthesis, Structural and Morphological Property of BaSnO3 Nanopowder Prepared by Solid State Ceramic Method

NASA Astrophysics Data System (ADS)

John, Jibi; Mahadevan Pillai, V. P.; Thomas, Anitta Rose; Philip, Reji; Joseph, Jaison; Muthunatesan, S.; Ragavendran, V.; Prabhu, Radhakrishna

2017-05-01

BaSnO3 is a cubic perovskite-type oxide that behaves as an n-type semiconductor with a wide band gap of 3.4 eV and remains stable at temperatures up to 1000°C. It has wide applications such as thermally stable capacitors, humidity sensors, gas sensors, etc. Barium stannate has also been used in optical applications, in capacitors and ceramic boundary layers, and as a promising material to produce gas phase sensors for the detection of carbon monoxide and carbon dioxide. BaSnO3 powder was prepared by solid state ceramic method. X-ray diffraction pattern of the prepared sample presents all the characteristic peaks of cubic phase of BaSnO3 (JCPDScard no: 15 -0780). The lattice constant for the compound was calculated and found to be 4.101A0 which is in agreement with the reported value (4.112A0). The average size of the crystallites estimated by Debye Scherrer’s formula was found to be 49 nm shows the nanostructured nature. The Raman bands observed ~ 139, 833 and 1122 cm-1 can be assigned on the basis of the fundamental vibrations of SnO6 octahedron which has Oh symmetry, in the distorted perovskite structure. The SEM image shows a porous surface morphology with grains of cuboidal structure with well-defined grain boundaries. UV-Visible spectra shows BaSnO3powder exhibit high reflectance in the 400-700 nm range.

Melt growth and properties of bulk BaSnO3 single crystals

NASA Astrophysics Data System (ADS)

Galazka, Z.; Uecker, R.; Irmscher, K.; Klimm, D.; Bertram, R.; Kwasniewski, A.; Naumann, M.; Schewski, R.; Pietsch, M.; Juda, U.; Fiedler, A.; Albrecht, M.; Ganschow, S.; Markurt, T.; Guguschev, C.; Bickermann, M.

2017-02-01

We present the first-time growth of bulk BaSnO3 single crystals from the melt by direct solidification, their basic electrical and optical properties as well as their structural quality. Our measurement of the melting point (MP) of BaSnO3 amounts to 1855 °C  ±  25 K. At this temperature an intensive decomposition and non-stoichiometric evaporation takes place as the partial pressure of SnO(g) is about 90 times higher than that of BaO(g). X ray powder diffraction identified only the BaSnO3 perovskite phase, while narrow rocking curves having a full width at half maximum of 26 arcsec and etch pit densities below 106 cm-2 confirm a high degree of structural perfection of the single crystals. In this respect they surpass the structural properties of those single crystals that were reported in the literature. The electrical conductivity of nominally undoped crystals depends on the growth conditions and ranges from insulating to medium n-type conductivity. After post-growth annealing in an oxidizing atmosphere undoped crystals are generally insulating. Doping the crystals with lanthanum during growth results in a high n-type conductivity. For a La doping concentration of 0.123 wt.% we measured an electron concentration of 3.3  ×  1019 cm-3 and an electron mobility of 219 cm2 V-1 s-1. Based on optical absorption measurements we determined an energy of 3.17  ±  0.04 eV at 5 K and of 2.99  ±  0.04 eV at 297 K for the indirect band gap of BaSnO3.

BaSn 2 : A wide-gap strong topological insulator

DOE PAGES

Young, Steve M.; Manni, S.; Shao, Junping; ...

2017-02-15

BaSn 2 has been shown to form as layers of buckled stanene intercalated by barium ions. However, despite an apparently straightforward synthesis and significant interest in stanene as a topological material, BaSn 2 has been left largely unexplored, and has only recently been recognized as a potential topological insulator. Belonging to neither the lead nor bismuth chalcogenide families, it would represent a unique manifestation of the topological insulating phase. Here in this paper, we present a detailed investigation of BaSn 2, using both ab initio and experimental methods. First-principles calculations demonstrate that this overlooked material is indeed a strong, wide-gapmore » topological insulator with a bulk band gap of 200 meV. We characterize the surface state dependence on termination chemistry, providing guidance for experimental efforts to measure and manipulate its topological properties. Additionally, through ab initio modeling and synthesis experiments, we explore the stability and accessibility of this phase, revealing a complicated phase diagram that indicates a challenging path to obtaining single crystals.« less

Heavy metals, metalloids and other hazardous elements in marine plastic litter.

PubMed

Turner, Andrew

2016-10-15

Plastics, foams and ropes collected from beaches in SW England have been analysed for As, Ba, Br, Cd, Cl, Cr, Cu, Hg, Ni, Pb, Sb, Se, Sn and Zn by field-portable-x-ray fluorescence spectrometry. High concentrations of Cl in foams that were not PVC-based were attributed to the presence of chlorinated flame retardants. Likewise, high concentrations of Br among both foams and plastics were attributed to the presence of brominated flame retardants. Regarding heavy metals and metalloids, Cd and Pb were of greatest concern from an environmental perspective. Lead was encountered in plastics, foams and ropes and up to concentrations of 17,500μgg(-1) due to its historical use in stabilisers, colourants and catalysts in the plastics industry. Detectable Cd was restricted to plastics, where its concentration often exceeded 1000μgg(-1); its occurrence is attributed to the use of both Cd-based stabilisers and colourants in a variety of products. Copyright © 2016 Elsevier Ltd. All rights reserved.

Porcine, murine and human sialoadhesin (Sn/Siglec-1/CD169): portals for porcine reproductive and respiratory syndrome virus entry into target cells.

PubMed

Van Breedam, Wander; Verbeeck, Mieke; Christiaens, Isaura; Van Gorp, Hanne; Nauwynck, Hans J

2013-09-01

Porcine sialoadhesin (pSn; a sialic acid-binding lectin) and porcine CD163 (pCD163) are molecules that facilitate infectious entry of porcine reproductive and respiratory syndrome virus (PRRSV) into alveolar macrophages. In this study, it was shown that murine Sn (mSn) and human Sn (hSn), like pSn, can promote PRRSV infection of pCD163-expressing cells. Intact sialic acid-binding domains are crucial, since non-sialic acid-binding mutants of pSn, mSn and hSn did not promote infection. Endodomain-deletion mutants of pSn, mSn and hSn promoted PRRSV infection less efficiently, but also showed markedly reduced expression levels, making further research into the potential role of the Sn endodomain in PRRSV receptor activity necessary. These data further complement our knowledge on Sn as an important PRRSV receptor, and suggest - in combination with other published data - that species differences in the main PRRSV entry mediators Sn and CD163 do not account for the strict host species specificity displayed by the virus.

Synchrotron X-ray diffraction study of the Ba{sub 1−x}SrSnO{sub 3} solid solution

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

Prodjosantoso, Anti K., E-mail: Prodjosantoso@yahoo.com; Zhou, Qingdi; Kennedy, Brendan J.

At room temperature the sequence of phases with increasing amounts of strontium in the stannate perovskite system Ba{sub 1−x}SrSnO{sub 3} has been established from high resolution synchrotron X-ray powder diffraction. The observed sequence orthorhombic (Pbnm), orthorhombic (Ibmm), tetragonal (I4/mcm), and cubic (Pm3-bar m) is a consequence of the sequential introduction of cooperative tilting of the corner sharing SnO{sub 6} octahedra. The cell volume changes smoothly across the series with no obvious discontinuities associated with the phase transitions. - Graphical abstract: Portions of the synchrotron X-ray diffraction profiles (λ=0.82453 Å) from selected Ba{sub 1−x}Sr{sub x}SnO{sub 3} samples together with the resultsmore » of fitting by the Rietveld method. Highlights: ► Structures of the stannate perovskites Ba{sub 1−x}SrSnO{sub 3} refined from synchrotron XRD. ► The sequence Pm3-bar m→I4/mcm→Ibmm→Pbnm results from tilting of the octahedra. ► The tilting maintains optimal bonding of the cations seen from the BVS analysis.« less

BariumCopperChFluorine (Ch = Sulfur, Selenium, Tellurium) p-type transparent conductors

NASA Astrophysics Data System (ADS)

Zakutayev, Andriy

BaCuChF (Ch = S, Se, Te) materials are chalcogen-based transparent conductors with wide optical band gaps (2.9 -- 3.5 eV) and a high concentration of free holes (1018 -- 1020 cm-3 ) caused by the presence of copper vacancies. Chalcogen vacancies compensate copper vacancies in these materials, setting the Fermi level close to the valence band maximum. BaCuChF thin film solid solutions prepared by pulsed laser deposition (PLD) have tunable properties, such as lattice constants, conductivity and optical band gaps. BaCuSF and BaCuSeF materials also feature room-temperature stable 3D excitons with spin-orbit-split levels. BaCuTeF has forbidden lowest-energy optical transitions which extends its transparency range. BaCuChF surfaces oxidize when exposed to air, but can be protected using Ch capping layers. Polycrystalline BaCuSeF thin films have a 4.85 eV work function, a 0.11 eV hole injection barrier into ZnPc, and 0.00 eV valence band offset with ZnTe. BaCuSeF should have s similar band offset and similar interfacial properties with CdTe and Cu(InGa)Se2, and BaCuSF should have no valence band offset with Cu2ZnSnS4, according to the transitivity rule. Therefore, BaCuSeF is suitable for applications as a p-layer in organic light-emitting diodes, p-i-n double-heterojunction and tandem chalcogenide solar cells.

Probing cation and vacancy ordering in the dry and hydrated yttrium-substituted BaSnO3 perovskite by NMR spectroscopy and first principles calculations: implications for proton mobility.

PubMed

Buannic, Lucienne; Blanc, Frédéric; Middlemiss, Derek S; Grey, Clare P

2012-09-05

Hydrated BaSn(1-x)Y(x)O(3-x/2) is a protonic conductor that, unlike many other related perovskites, shows high conductivity even at high substitution levels. A joint multinuclear NMR spectroscopy and density functional theory (total energy and GIPAW NMR calculations) investigation of BaSn(1-x)Y(x)O(3-x/2) (0.10 ≤ x ≤ 0.50) was performed to investigate cation ordering and the location of the oxygen vacancies in the dry material. The DFT energetics show that Y doping on the Sn site is favored over doping on the Ba site. The (119)Sn chemical shifts are sensitive to the number of neighboring Sn and Y cations, an experimental observation that is supported by the GIPAW calculations and that allows clustering to be monitored: Y substitution on the Sn sublattice is close to random up to x = 0.20, while at higher substitution levels, Y-O-Y linkages are avoided, leading, at x = 0.50, to strict Y-O-Sn alternation of B-site cations. These results are confirmed by the absence of a "Y-O-Y" (17)O resonance and supported by the (17)O NMR shift calculations. Although resonances due to six-coordinate Y cations were observed by (89)Y NMR, the agreement between the experimental and calculated shifts was poor. Five-coordinate Sn and Y sites (i.e., sites next to the vacancy) were observed by (119)Sn and (89)Y NMR, respectively, these sites disappearing on hydration. More five-coordinated Sn than five-coordinated Y sites are seen, even at x = 0.50, which is ascribed to the presence of residual Sn-O-Sn defects in the cation-ordered material and their ability to accommodate O vacancies. High-temperature (119)Sn NMR reveals that the O ions are mobile above 400 °C, oxygen mobility being required to hydrate these materials. The high protonic mobility, even in the high Y-content materials, is ascribed to the Y-O-Sn cation ordering, which prevents proton trapping on the more basic Y-O-Y sites.

Different Topological Quantum States in Ternary Zintl compounds: BaCaX (X = Si, Ge, Sn and Pb)

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

Wang, Lin-Lin; Kaminski, Adam; Canfield, Paul C.

Topological quantum states require stringent combination of crystal symmetry and spin–orbit coupling (SOC) strength. Here in this paper, we report that the ternary Zintl compound series BaCaX (X = Si, Ge, Sn and Pb, Group IV) in the same crystal structure having eight valence electrons per formula unit can host two different topological quantum phases, controlled by atomic size and SOC strength. BaCaSi is a nodal-line semimetal (NLSM) with band inversion protected by mirror symmetry and hosts a strong topological insulator (TI) state when SOC is turned on, thus, a NLSM-TI phase. Moving to larger atomic sizes and heavier atoms,more » BaCaGe and BaCaSn are normal insulators (NIs); then, with the strongest SOC in BaCaPb, a different band inversion is induced, giving a strong TI phase without the need of NLSM. Thus, we also predict two types of topological transitions in a phase diagram for BaCaX: (1) NLSM-TI to NI, then to TI by tuning atomic size and SOC strength via alloying, and (2) NI or TI to NLSM-TI via pressure.« less

Different Topological Quantum States in Ternary Zintl compounds: BaCaX (X = Si, Ge, Sn and Pb)

DOE PAGES

Wang, Lin-Lin; Kaminski, Adam; Canfield, Paul C.; ...

2017-12-14

Topological quantum states require stringent combination of crystal symmetry and spin–orbit coupling (SOC) strength. Here in this paper, we report that the ternary Zintl compound series BaCaX (X = Si, Ge, Sn and Pb, Group IV) in the same crystal structure having eight valence electrons per formula unit can host two different topological quantum phases, controlled by atomic size and SOC strength. BaCaSi is a nodal-line semimetal (NLSM) with band inversion protected by mirror symmetry and hosts a strong topological insulator (TI) state when SOC is turned on, thus, a NLSM-TI phase. Moving to larger atomic sizes and heavier atoms,more » BaCaGe and BaCaSn are normal insulators (NIs); then, with the strongest SOC in BaCaPb, a different band inversion is induced, giving a strong TI phase without the need of NLSM. Thus, we also predict two types of topological transitions in a phase diagram for BaCaX: (1) NLSM-TI to NI, then to TI by tuning atomic size and SOC strength via alloying, and (2) NI or TI to NLSM-TI via pressure.« less

Tin in granitic melts: The role of melting temperature and protolith composition

NASA Astrophysics Data System (ADS)

Wolf, Mathias; Romer, Rolf L.; Franz, Leander; López-Moro, Francisco Javier

2018-06-01

Granite bound tin mineralization typically is seen as the result of extreme magmatic fractionation and late exsolution of magmatic fluids. Mineralization, however, also could be obtained at considerably less fractionation if initial melts already had enhanced Sn contents. We present chemical data and results from phase diagram modeling that illustrate the dominant roles of protolith composition, melting conditions, and melt extraction/evolution for the distribution of Sn between melt and restite and, thus, the Sn content of melts. We compare the element partitioning between leucosome and restite of low-temperature and high-temperature migmatites. During low-temperature melting, trace elements partition preferentially into the restite with the possible exception of Sr, Cd, Bi, and Pb, that may be enriched in the melt. In high-temperature melts, Ga, Y, Cd, Sn, REE, Pb, Bi, and U partition preferentially into the melt whereas Sc, V, Cr, Co, Ni, Mo, and Ba stay in the restite. This contrasting behavior is attributed to the stability of trace element sequestering minerals during melt generation. In particular muscovite, biotite, titanite, and rutile act as host phases for Sn and, therefore prevent Sn enrichment in the melt as long as they are stable phases in the restite. As protolith composition controls both the mineral assemblage and modal contents of the various minerals, protolith composition eventually also controls the fertility of a rock during anatexis, restite mineralogy, and partitioning behavior of trace metals. If a particular trace element is sequestered in a phase that is stable during partial melting, the resulting melt is depleted in this element whereas the restite becomes enriched. Melt generation at high temperature may release Sn when Sn-hosts become unstable. If melt has not been lost before the breakdown of Sn-hosts, Sn contents in the melt will increase but never will be high. In contrast, if melt has been lost before the decomposition of Sn-hosts, the small volume of the high-temperature melt will not be diluted by low-temperature, low-Sn melts and, therefore, could have high Sn-contents. The combination of multiple melt extractions and Sn-mobilization at high temperature results in strong Sn enrichment in late, high-temperature melts. Metal enrichment during partial melting becomes particularly efficient, if the sedimentary protolith had experienced intense chemical alteration as the loss of Na and Ca together with a relative enrichment of K favors muscovite-rich metamorphic mineral assemblages that produce large amounts of melt during muscovite dehydration melting.

Conduction band edge effective mass of La-doped BaSnO{sub 3}

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

James Allen, S., E-mail: allen@itst.ucsb.edu; Law, Ka-Ming; Raghavan, Santosh

2016-06-20

BaSnO{sub 3} has attracted attention as a promising material for applications requiring wide band gap, high electron mobility semiconductors, and moreover possesses the same perovskite crystal structure as many functional oxides. A key parameter for these applications and for the interpretation of its properties is the conduction band effective mass. We measure the plasma frequency of La-doped BaSnO{sub 3} thin films by glancing incidence, parallel-polarized resonant reflectivity. Using the known optical dielectric constant and measured electron density, the resonant frequency determines the band edge electron mass to be 0.19 ± 0.01. The results allow for testing band structure calculations and transport models.

Structure and magnetism of Fe-doped BaSnO 3 thin films

DOE PAGES

Alaan, Urusa S.; N’Diaye, Alpha T.; Shafer, Padraic; ...

2017-02-28

BaSnO 3 is an excellent candidate system for developing a new class of perovskite-based dilute magnetic semiconductors. Here in this study, we show that BaSn 0.95Fe 0.05O 3 can be grown from a background pressure of ~2×10-3 mTorr to oxygen pressures of 300 mTorr with high crystallinity and excellent structural quality. When grown in vacuum, the films may be weakly ferromagnetic with a nonzero x-ray magnetic circular dichroism signal on the Fe L 3 edge. Growth with oxygen flow appears to suppress magnetic ordering. Even for very thick films grown in 100 mTorr O 2, the films are paramagnetic. Finally,more » the existence of ferromagnetism in vacuum-grown BaSnO 3 may be attributed to the F-center exchange mechanism, which relies on the presence of oxygen vacancies to facilitate the ferromagnetism. However, other possible extrinsic contributions to the magnetic ordering, such as clusters of Fe 3O 4 and FeO or contamination can also explain the observed behavior.« less

Fabrication of lead-free piezoelectric Li2CO3-added (Ba,Ca)(Ti,Sn)O3 ceramics under controlled low oxygen partial pressure and their properties

NASA Astrophysics Data System (ADS)

Noritake, Kouta; Sakamoto, Wataru; Yuitoo, Isamu; Takeuchi, Teruaki; Hayashi, Koichiro; Yogo, Toshinobu

2018-02-01

Reduction-resistant lead-free (Ba,Ca)(Ti,Sn)O3 piezoceramics with high piezoelectric constants were fabricated by optimizing the amount of Li2CO3 added. Oxygen partial pressure was controlled during the sintering of (Ba,Ca)(Ti,Sn)O3 ceramics in a reducing atmosphere using H2-CO2 gas. Enhanced grain growth and a high-polarization state after poling treatment were achieved by adding Li2CO3. Optimizing the amount of Li2CO3 added to (Ba0.95Ca0.05)(Ti0.95Sn0.05)O3 ceramics sintered under a low oxygen partial pressure resulted in improved piezoelectric properties while maintaining the high sintered density. The prepared Li2CO3-added ceramic samples had homogeneous microstructures with a uniform dispersion of each major constituent element. However, the residual Li content in the 3 mol % Li2CO3-added (Ba0.95Ca0.05)(Ti0.95Sn0.05)O3 ceramics after sintering was less than 0.3 mol %. Sintered bodies of this ceramic prepared in a CO2 (1.5%)-H2 (0.3%)/Ar reducing atmosphere (PO2 = 10-8 atm at 1350 °C), exhibited sufficient electrical resistivity and a piezoelectric constant (d 33) exceeding 500 pC/N. The piezoelectric properties of this nonreducible ceramic were comparable or superior to those of the same ceramic sintered in air.

Description and validation of a new automated surveillance system for Clostridium difficile in Denmark.

PubMed

Chaine, M; Gubbels, S; Voldstedlund, M; Kristensen, B; Nielsen, J; Andersen, L P; Ellermann-Eriksen, S; Engberg, J; Holm, A; Olesen, B; Schønheyder, H C; Østergaard, C; Ethelberg, S; Mølbak, K

2017-09-01

The surveillance of Clostridium difficile (CD) in Denmark consists of laboratory based data from Departments of Clinical Microbiology (DCMs) sent to the National Registry of Enteric Pathogens (NREP). We validated a new surveillance system for CD based on the Danish Microbiology Database (MiBa). MiBa automatically collects microbiological test results from all Danish DCMs. We built an algorithm to identify positive test results for CD recorded in MiBa. A CD case was defined as a person with a positive culture for CD or PCR detection of toxin A and/or B and/or binary toxin. We compared CD cases identified through the MiBa-based surveillance with those reported to NREP and locally in five DCMs representing different Danish regions. During 2010-2014, NREP reported 13 896 CD cases, and the MiBa-based surveillance 21 252 CD cases. There was a 99·9% concordance between the local datasets and the MiBa-based surveillance. Surveillance based on MiBa was superior to the current surveillance system, and the findings show that the number of CD cases in Denmark hitherto has been under-reported. There were only minor differences between local data and the MiBa-based surveillance, showing the completeness and validity of CD data in MiBa. This nationwide electronic system can greatly strengthen surveillance and research in various applications.

Structure and optical band gaps of (Ba,Sr)SnO{sub 3} films grown by molecular beam epitaxy

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

Schumann, Timo; Raghavan, Santosh; Ahadi, Kaveh

2016-09-15

Epitaxial growth of (Ba{sub x}Sr{sub 1−x})SnO{sub 3} films with 0 ≤ x ≤ 1 using molecular beam epitaxy is reported. It is shown that SrSnO{sub 3} films can be grown coherently strained on closely lattice and symmetry matched PrScO{sub 3} substrates. The evolution of the optical band gap as a function of composition is determined by spectroscopic ellipsometry. The direct band gap monotonously decreases with x from to 4.46 eV (x = 0) to 3.36 eV (x = 1). A large Burnstein-Moss shift is observed with La-doping of BaSnO{sub 3} films. The shift corresponds approximately to the increase in Fermi level and is consistent with the low conduction band mass.

Synthesis of new visible light active photocatalysts of Ba(In(1/3)Pb(1/3)M'(1/3))O3 (M' = Nb, Ta): a band gap engineering strategy based on electronegativity of a metal component.

PubMed

Hur, Su Gil; Kim, Tae Woo; Hwang, Seong-Ju; Park, Hyunwoong; Choi, Wonyong; Kim, Sung Jin; Kim, Sun Jin; Choy, Jin-Ho

2005-08-11

We have synthesized new, efficient, visible light active photocatalysts through the incorporation of highly electronegative non-transition metal Pb or Sn ions into the perovskite lattice of Ba(In(1/3)Pb(1/3)M'(1/3))O3 (M = Sn, Pb; M' = Nb, Ta). X-ray diffraction, X-ray absorption spectroscopic, and energy dispersive spectroscopic microprobe analyses reveal that tetravalent Pb or Sn ions exist in the B-site of the perovskite lattice, along with In and Nb/Ta ions. According to diffuse UV-vis spectroscopic analysis, the Pb-containing quaternary metal oxides Ba(In(1/3)Pb(1/3)M'(1/3))O3 possess a much narrower band gap (E(g) approximately 1.48-1.50 eV) when compared to the ternary oxides Ba(In(1/2)M'(1/2))O3 (E(g) approximately 2.97-3.30 eV) and the Sn-containing Ba(In(1/3)Sn(1/3)M'(1/3))O3 derivatives (E(g) approximately 2.85-3.00 eV). Such a variation of band gap energy upon the substitution is attributable to the broadening of the conduction band caused by the dissimilar electronegativities of the B-site cations. In contrast to the ternary or the Sn-substituted quaternary compounds showing photocatalytic activity under UV-vis irradiation, the Ba(In(1/3)Pb(1/3)M'(1/3))O3 compounds induce an efficient photodegradation of 4-chlorophenol under visible light irradiation (lambda > 420 nm). The present results highlight that the substitution of electronegative non-transition metal cations can provide a very powerful way of developing efficient visible light harvesting photocatalysts through tuning of the band structure of a semiconductive metal oxide.

Second harmonic generation response of the cubic chalcogenides Ba( 6-x)Sr x[Ag( 4-y)Sn( y/4)](SnS 4) 4

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

Haynes, Alyssa S.; Liu, Te-Kun; Frazer, Laszlo

We synthesized the barium/strontium solid solution sequence Ba 6-xSr x[Ag( 4-y)Sn( y/4)](SnS 4) 4 for nonlinear optical (NLO) applications in the infrared (IR) via a flux synthesis route. All title compounds are isotypic, crystallizing in the cubic space group Imore » $$\\bar{_4}$$ 3d and are composed of a three-dimensional (3D) anionic framework of alternating corner-sharing SnS 4 and AgS 4 tetrahedra charge balanced by Ba and Sr. The shrinkage of Ba/Sr-S bond lengths causes the tetrahedra in the anionic framework to become more distorted, which results in a tunable band gap from 1.58 to 1.38 eV with increasing x values. The performance of the barium limit (x=0) is also superior to that of Sr (x=6), but surprisingly second harmonic generation (SHG) of the solid solution remains strong and is insensitive to the value of x over the range 0-3.8. Results show that the non-type-I phase-matched SHG produced by these cubic chalcogenides display intensities higher than the benchmark AgGaSe 2 from 600 to 1000 nm.« less

Thin transparent conducting films of cadmium stannate

DOEpatents

Wu, Xuanzhi; Coutts, Timothy J.

2001-01-01

A process for preparing thin Cd.sub.2 SnO.sub.4 films. The process comprises the steps of RF sputter coating a Cd.sub.2 SnO.sub.4 layer onto a first substrate; coating a second substrate with a CdS layer; contacting the Cd.sub.2 SnO.sub.4 layer with the CdS layer in a water- and oxygen-free environment and heating the first and second substrates and the Cd.sub.2 SnO.sub.4 and CdS layers to a temperature sufficient to induce crystallization of the Cd.sub.2 SnO.sub.4 layer into a uniform single-phase spinel-type structure, for a time sufficient to allow full crystallization of the Cd.sub.2 SnO.sub.4 layer at that temperature; cooling the first and second substrates to room temperature; and separating the first and second substrates and layers from each other. The process can be conducted at temperatures less than 600.degree. C., allowing the use of inexpensive soda lime glass substrates.

II-I2-IV-VI4 (II = Sr,Ba; I = Cu,Ag; IV = Ge,Sn; VI = S,Se): Earth-Abundant Chalcogenides for Thin Film Photovoltaics

NASA Astrophysics Data System (ADS)

Zhu, Tong; Huhn, William P.; Shin, Donghyeop; Mitzi, David B.; Blum, Volker; Saparov, Bayrammurad

Chalcogenides such as CdTe, CIGSSe, and CZTSSe are successful for thin film photovoltaics (PV) but contain elements that are rare, toxic, or prone to the formation of detrimental antisite disorder. Recently, the BaCu2SnS4-xSex system has been shown to offer a prospective path to circumvent these problems. While early prototypes show efficiencies of a few percent, many avenues remain to optimize the materials, including the underlying chemical composition. In this work, we explore 16 compounds II-I2-IV-VI4 to help identify new candidate materials for PV, with predictions based on both known experimental and computationally derived structures that belong to five different space groups. We employ hybrid density functional theory (HSE06) to explore the band gap tunability by substituting different elements, and other characteristics such as the effective mass and the absorption coefficient. Compounds containing Cu (rather than Ag) are found to have direct or nearly direct band gaps. Depending on the compound, replacing S with Se leads to a decrease of the predicted band gaps by 0.2-0.8 eV and to somewhat decreasing hole effective masses.

Synthesis and Study of Gel Calcined Cd-Sn Oxide Nanocomposites

NASA Astrophysics Data System (ADS)

De, Arijit; Kundu, Susmita

2016-07-01

Cd-Sn oxide nanocomposites were synthesized by sol-gel method from precursor sol containing Cd:Sn = 2:1 and 1:1 mol ratio. Instead of coprecipitation, a simple novel gel calcination route was followed. Cd (NO3)2. 4H2O and SnCl4. 5H2O were used as starting materials. Gel was calcined at 1050 °C for 2 h to obtain nanocomposites. XRD analysis reveals the presence of orthorhombic, cubic Cd2SnO4 along with orthorhombic, hexagonal CdSnO3 phases in both the composites. SEM and TEM studies indicate the development of nanocomposites of different shapes suggesting different degrees of polymerization in precursor sol of different composition. UV-Vis absorption spectra show a blue shift for both the composites compared to bulk values. Decrease of polarization with frequency, dipole contribution to the polarization, and more sensitivity to ethanol vapor were observed for the nanocomposite derived from precursor sol containing Cd:Sn = 2:1 mol ratio.

Cosmic-ray abundances of Sn, Te, Xe, and Ba nuclei measured on HEAO 3

NASA Technical Reports Server (NTRS)

Binns, W. R.; Israel, M. H.; Klarmann, J.; Fickle, R. K.; Waddington, C. J.; Garrard, T. L.; Krombel, K. E.; Stone, E. C.

1983-01-01

The results of an analysis of HEAO 3 Heavy Nuclei Experimental data covering 440 days of observations of Sn-Ba nuclei in cosmic rays are reported. The particles were detected by a Cernkov counter, and a Z-squared ceiling was calculated to normalize the histograms produced. The observed large abundance of Sn and Ba relative to other elements in the region of interest indicated a predominance of the s-process in the source of the particles. When account was taken of first ionization potential effects, the data indicated that the material could be solar system in origin. A source dominated by the r-process nucleosynthesis was ruled out at the 0.93 confidence level.

On the possibility of room temperature ferromagnetism on chunk-shape BaSnO3/ZnO core/shell nanostructures

NASA Astrophysics Data System (ADS)

Rajamanickam, N.; Jayakumar, K.; Ramachandran, K.

2018-04-01

Core/shell BaSnO3/ZnO (BS-ZO) nanostructures were prepared by oxalate precipitation method and wet-chemical method. BaSnO3 (BSO) cubic perovskite structure and ZnO hexagonal wurtzite structure were confirmed by X-ray diffraction (XRD). The crystallite sizes is 23 nm, 29 nm and 27 nm for BSO, ZnO and BS-ZO, respectively. Chunk-shape and cuboids morphology observed from scanning electron microscopy (SEM) analysis. The magnetic properties were studied by VSM for bare and core-shell nano systems and the room temperature ferromagnetism observed for core-shell nanostructures. The BSO/ZnO shows enhanced coercivity and saturated magnetization as compared with BSO and ZnO nanostructures.

Structural and electronic properties of Sr{sub x}Ba{sub 1-x}SnO{sub 3} from first principles calculations

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

Moreira, E.; Henriques, J.M.; Azevedo, D.L.

2012-03-15

Neutron diffraction data for Sr{sub x}Ba{sub 1-x}SnO{sub 3} (x=0.0, 0.2, 0.4, 0.6, 0.8 and 1.0) solid solutions were used as inputs to obtain optimized geometries and electronic properties using the density functional theory (DFT) formalism considering both the local density and generalized gradient approximations, LDA and GGA, respectively. The crystal structures and SnO{sub 6} octahedra tilting angles found after total energy minimization agree well with experiment, specially for the GGA data. Elastic constants were also obtained and compared with theoretical and experimental results for cubic BaSnO{sub 3}. While the alloys with cubic unit cell have an indirect band gap, tetragonalmore » and orthorhombic alloys exhibit direct band gaps (exception made to x=1.0). The Kohn-Sham minimum electronic band gap oscillates from 1.52 eV (cubic x=0.0, LDA) to 2.61 eV (orthorhombic x=1.0, LDA), and from 0.74 eV (cubic BaSnO{sub 3}, GGA) to 1.97 eV (orthorhombic SrSnO{sub 3}, GGA). Parabolic interpolation of bands has allowed us to estimate the effective masses for charge carriers, which are shown to be anisotropic and larger for holes. - Graphical Abstract: Highlights: Black-Right-Pointing-Pointer DFT calculations were performed on Sr{sub x}Ba{sub 1-x}SnO{sub 3} solid solutions. Black-Right-Pointing-Pointer Calculated crystal structures agree well with experiment. Black-Right-Pointing-Pointer Alloys have direct or indirect gaps depending on the Sr molar fraction. Black-Right-Pointing-Pointer The Kohn-Sham gap variation from x=0.0 to x=1.0 is close to the experimental value. Black-Right-Pointing-Pointer Carrier effective masses are very anisotropic, specially for holes.« less

Simultaneous quantification of 17 trace elements in blood by dynamic reaction cell inductively coupled plasma mass spectrometry (DRC-ICP-MS) equipped with a high-efficiency sample introduction system.

PubMed

D'Ilio, S; Violante, N; Di Gregorio, M; Senofonte, O; Petrucci, F

2006-10-10

A quadrupole inductively coupled plasma mass spectrometer (Q-ICP-MS) equipped with a dynamic reaction cell (DRC) and coupled with a desolvating nebulization system (APEX-IR) was employed to determine 17 elements (Al, As, Ba, Cd, Co, Cr, Li, Mn, Mo, Ni, Pb, Sb, Se, Sn, Sr, V, and Zr) in blood samples. Ammonia (for Al, Cr, Mn, and V) and O2 (for As and Se) were used as reacting gases. Selection of the best flow rate of the gases and optimization of the quadrupole dynamic bandpass tuning parameter (RPq) were carried out, using digested blood diluted 1+9 with deionized water and spiked with 1 microg L(-1) of Al, Cr, Mn, V and 5 microgL(-1) of As and Se. Detection limits were determined in digested blood using the 3sigma criterion. The desolvating system allowed a sufficient sensitivity to be achieved to determine elements at levels of ng L(-1) without detriment of signal stability. The accuracy of the method was tested with the whole blood certified reference material (CRM), certified for Al, As, Cd, Co, Cr, Mn, Mo, Ni, Pb, Sb, Se, and V, and with indicative values for Ba, Li, Sn, Sr, and Zr. The addition calibration approach was chosen for analysis. In order to confirm the DRC data, samples were also analyzed by means of sector field inductively coupled plasma mass spectrometry (SF-ICP-MS), operating in medium (m/Deltam=4000) and high (m/Deltam=10,000) resolution mode and achieving a good agreement between the two techniques.

Orthorhombic-tetragonal phase coexistence and enhanced piezo-response at room temperature in Zr, Sn, and Hf modified BaTiO{sub 3}

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

Kalyani, Ajay Kumar; Brajesh, Kumar; Ranjan, Rajeev, E-mail: rajeev@materials.iisc.ernet.in

2014-06-23

The effect of Zr, Hf, and Sn in BaTiO{sub 3} has been investigated at close composition intervals in the dilute concentration limit. Detailed structural analysis by x-ray and neutron powder diffraction revealed that merely 2 mol. % of Zr, Sn, and Hf stabilizes a coexistence of orthorhombic (Amm2) and tetragonal (P4mm) phases at room temperature. As a consequence, all the three systems show substantial enhancement in the longitudinal piezoelectric coefficient (d{sub 33}), with Sn modification exhibiting the highest value ∼425 pC/N.

Moss-Burstein shift in La-doped BaSnO3; A novel electron transport layer material for hybrid halide perovskite solar cells

NASA Astrophysics Data System (ADS)

Taya, Ankur; Rani, Priti; Kashyap, Manish K.

2018-04-01

Highly efficient hybrid (organic-inorganic) halide perovskite solar cells (PSCs) employ TiO2 as electron transport layer (ETL) but it impedes the device stability under solar illumination. Therefore, there is an imperative need to study the materials that can be the ideal replacement for TiO2 as ETL. With its growth at mild conditions recently by Shin et al. [Science, 356, 167 (2017)], La-doped BaSnO3 (LBSO) emerges out as an efficient candidate for ETL in PSCs. In this direction, we represent first-principles electronic properties and optical response of pristine and La-doped BaSnO3 using full potential linear augmented plane wave (FPLAPW) method within time efficient orbital independent modified Becke Johnson (mBJ) approach. Post La-doping, Moss-Burtsein shift is observed in BaSnO3 that establishes it as an excellent n-type transparent conducting oxide. The optical absorption spectra of LBSO has been analyzed to prove almost full transmittivity for energy ≤ 4eV which affirms LBSO as an ideal material for ETL in various PSCs.

Atomistic Description of Thiostannate-Capped CdSe Nanocrystals: Retention of Four-Coordinate SnS4 Motif and Preservation of Cd-Rich Stoichiometry

PubMed Central

2016-01-01

Colloidal semiconductor nanocrystals (NCs) are widely studied as building blocks for novel solid-state materials. Inorganic surface functionalization, used to displace native organic capping ligands from NC surfaces, has been a major enabler of electronic solid-state devices based on colloidal NCs. At the same time, very little is known about the atomistic details of the organic-to-inorganic ligand exchange and binding motifs at the NC surface, severely limiting further progress in designing all-inorganic NCs and NC solids. Taking thiostannates (K4SnS4, K4Sn2S6, K6Sn2S7) as typical examples of chalcogenidometallate ligands and oleate-capped CdSe NCs as a model NC system, in this study we address these questions through the combined application of solution 1H NMR spectroscopy, solution and solid-state 119Sn NMR spectroscopy, far-infrared and X-ray absorption spectroscopies, elemental analysis, and by DFT modeling. We show that through the X-type oleate-to-thiostannate ligand exchange, CdSe NCs retain their Cd-rich stoichiometry, with a stoichiometric CdSe core and surface Cd adatoms serving as binding sites for terminal S atoms of the thiostannates ligands, leading to all-inorganic (CdSe)core[Cdm(Sn2S7)yK(6y-2m)]shell (taking Sn2S76– ligand as an example). Thiostannates SnS44– and Sn2S76– retain (distorted) tetrahedral SnS4 geometry upon binding to NC surface. At the same time, experiments and simulations point to lower stability of Sn2S64– (and SnS32–) in most solvents and its lower adaptability to the NC surface caused by rigid Sn2S2 rings. PMID:25597625

Level density parameter behaviour at high excitation energy

NASA Astrophysics Data System (ADS)

D'Arrigo, A.; Giardina, G.; Taccone, A.

1991-06-01

We present a formalism to calculate the intrinsic (without collective effects) and effective (with collective effects) level density parameters over a wide range of excitation energy up to 180 MeV. The behaviour of aint and aeff as an energy function is shown for several typical nuclei (115Cd, 129Te, 148Pm, 173Yb, 192Ir and 248Cm). Moreover, local systematics of the parameter aeff as a function of the neutron number N, also for nuclei extremely far from the β-line, is shown for some typical nuclei (Rb, Pd, Sn, Ba and Hg) at excitation energies of 15, 80 and 150 MeV.

Alkaline earth lead and tin compounds Ae2Pb, Ae2Sn, Ae = Ca, Sr, Ba, as thermoelectric materials

PubMed Central

Parker, David; Singh, David J

2013-01-01

We present a detailed theoretical study of three alkaline earth compounds Ca2Pb, Sr2Pb and Ba2Pb, which have undergone little previous study, calculating electronic band structures and Boltzmann transport and bulk moduli using density functional theory. We also study the corresponding tin compounds Ca2Sn, Sr2Sn and Ba2Sn. We find that these are all narrow band gap semiconductors with an electronic structure favorable for thermoelectric performance, with substantial thermopowers for the lead compounds at temperature ranges from 300 to 800 K. For the lead compounds, we further find very low calculated bulk moduli—roughly half of the values for the lead chalcogenides, suggestive of soft phonons and hence low lattice thermal conductivity. All these facts indicate that these materials merit experimental investigation as potential high performance thermoelectrics. We find good potential for thermoelectric performance in the environmentally friendly stannide materials, particularly at high temperature. PMID:27877610

P-type field effect transistor based on Na-doped BaSnO3

NASA Astrophysics Data System (ADS)

Jang, Yeaju; Hong, Sungyun; Park, Jisung; Char, Kookrin

We fabricated field effect transistors (FET) based on the p-type Na-doped BaSnO3 (BNSO) channel layer. The properties of epitaxial BNSO channel layer were controlled by the doping rate. In order to modulate the p-type FET, we used amorphous HfOx and epitaxial BaHfO3 (BHO) gate oxides, both of which have high dielectric constants. HfOx was deposited by atomic-layer-deposition and BHO was epitaxially grown by pulsed laser deposition. The pulsed laser deposited SrRuO3 (SRO) was used as the source and the drain contacts. Indium-tin oxide and La-doped BaSnO3 were used as the gate electrodes on top of the HfOx and the BHO gate oxides, respectively. We will analyze and present the performances of the BNSO field effect transistor such as the IDS-VDS, the IDS-VGS, the Ion/Ioff ratio, and the field effect mobility. Samsung Science and Technology Foundation.

Ionomic profiling of Nicotiana langsdorffii wild-type and mutant genotypes exposed to abiotic stresses.

PubMed

Ardini, Francisco; Soggia, Francesco; Abelmoschi, Maria Luisa; Magi, Emanuele; Grotti, Marco

2013-01-01

To provide a new insight into the response of plants to abiotic stresses, the ionomic profiles of Nicotiana langsdorffii specimens have been determined before and after exposure to toxic metals (chromium) or drought conditions. The plants were genetically transformed with the rat glucocorticoid receptor (GR) or the gene for Agrobacterium rhizogenes rolC, because these modifications are known to produce an imbalance in phytohormone equilibria and a significant change in the defence response of the plant. Elemental profiles were obtained by developing and applying analytical procedures based on inductively coupled plasma atomic emission and mass spectrometry (ICP-AES/MS). In particular, the removal of isobaric interferences affecting the determination of Cr and V by ICP-MS was accomplished by use of a dynamic reaction cell, after optimization of the relevant conditions. The combined use of ICP atomic emission and mass spectrometry enabled the determination of 29 major and trace elements (Ba, Bi, Ca, Cd, Co, Cr, Cu, Eu, Fe, Ga, K, Li, Mg, Mn, Mo, Na, P, Pb, Pt, Rb, S, Sb, Sn, Sr, Te, V, W, Y, and Zn) in different parts of the plants (roots, stems, and leaves), with high accuracy and precision. Multivariate data processing and study of element distribution patterns provided new information about the ionomic response of the target organism to chemical treatment or water stress. Genetic modification mainly affected the distribution of Bi, Cr, Mo, Na, and S, indicating that these elements were involved in biochemical processes controlled by the GR or rolC genes. Chemical stress strongly affected accumulation of several elements (Ba, Ca, Fe, Ga, K, Li, Mn, Mo, Na, P, Pb, Rb, S, Sn, Te, V, and Zn) in different ways; for Ca, Fe, K, Mn, Na, and P the effect was quite similar to that observed in other studies after treatment with other transition elements, for example Cu and Cd. The effect of water deficit was less evident, mainly consisting in a decrease of Ba, Cr, Na, and Sr in roots.

Arterial Structure and Function in Women and Men Following Long Duration Bed Rest

NASA Technical Reports Server (NTRS)

Lee, Stuart M. C.; Stenger, Michael B.; Martin, David S.; Platts, Steven H.

2008-01-01

Orthostatic intolerance is a well-recognized consequence of space flight and bed rest (BR), with a greater incidence reported in women. We hypothesized that leg, but not arm, arterial structure and function would be altered following prolonged BR, as a model of space flight, and that women would be more susceptible to BR-induced deconditioning than men. METHODS: Ten volunteers (5 males, 5 females) completed 90 d of 6 head-down BR. Subjects participated in tests of brachial (BA) and anterior tibial (AT) artery endothelium-dependent (flow mediated dilation [FMD] following 5-7 min of arterial occlusion) and endothelium-independent (0.4 mg sublingual nitroglycerin [SN]) vasodilation before BR (PRE) and on days 7 (BR7), 21 (BR21), and 90 (BR90) of BR. Vessel diameter and intimal medial thickness (IMT) were measured by ultrasound. IMT, baseline diameter, and percent change in diameter from baseline during FMD and SN tests were compared across BR and between genders using repeated measures two-way ANOVA with Bonferroni post-hoc tests in which PRE and women were control conditions. RESULTS: Baseline vessel diameter was lower in women than in men in both the BA (p=0.005) and AT (p=0.01) across all days. Baseline AT diameter decreased during BR (p=0.01) and tended to be more profound in women (interaction, p=0.06). AT diameter was reduced in women at BR21 and BR90 (p<0.01) but not in men. In contrast, there was no BR effect on baseline BA diameter. IMT also decreased in the AT (p<0.001) but not in the BA during BR; AT IMT was reduced by BR21 (p<0.05). As a group, there was no effect of BR on AT FMD, BA FMD, and AT SN-dilation, although BA SN-dilation was significantly reduced on BR21 (p=0.01). Across all BR days, women exhibited higher AT FMD (p=0.03), BA FMD (p=0.02), and BA SN-dilation (p=0.01) and tended to demonstrate greater AT SN-dilation (p=0.11). CONCLUSIONS: These preliminary results suggest that arterial remodeling occurs during BR in the leg (decreased diameter and IMT), but not in the arm, and that women appear to be more responsive to BR than men. These changes in the leg, coupled with larger responses to direct and indirect stimulation of the arterial smooth muscle, may be related to the greater incidence of orthostatic intolerance in women after BR and space flight.

Luminescence properties of Sm3+-doped alkaline earth ortho-stannates

NASA Astrophysics Data System (ADS)

Stanulis, Andrius; Katelnikovas, Artūras; Enseling, David; Dutczak, Danuta; Šakirzanovas, Simas; Bael, Marlies Van; Hardy, An; Kareiva, Aivaras; Jüstel, Thomas

2014-05-01

A series of Sm3+ doped M2SnO4 (M = Ca, Sr and Ba) samples were prepared by a conventional high temperature solid-state reaction route. All samples were characterized by powder X-ray diffraction (XRD) analysis, photoluminescence (PL), photoluminescence thermal quenching (TQ) and fluorescence lifetime (FL) measurements. The morphology of synthesized phosphor powders was examined by scanning electron microscopy (SEM). Moreover, luminous efficacies (LE) and color points of the CIE 1931 color space diagram were calculated and discussed. Synthesized powders showed bright orange-red emission under UV excitation. Based on the results obtained we demonstrate that Sm3+ ions occupy Ca and Sr sites in the Ca2SnO4 and Sr2SnO4 ortho-stannate structures, respectively. In contrast, Sm3+ substitutes Sn in the barium ortho-stannate Ba2SnO4 structure.

Influence of Sn doping in BaSnxTi1-xO3 ceramics on microstructural and dielectric properties

NASA Astrophysics Data System (ADS)

Ansari, Mohd. Azaj; Sreenivas, K.

2018-05-01

BaSnxTi1-x O3 solid solutions with varying Sn content (x = 0.00, 0.05, 0.15, 0.25) prepared by solid state reaction method have been studied for their structural and dielectric properties. X-ray diffraction and Raman spectroscopic analysis show composition induced modifications in the crystallographic structure, and with increasing Sn content the structure changes from tetragonal to cubic structure. The tetragonal distortion decreases with increasing Sn, and the structure becomes purely cubic for x =0.25. Changes in the structure are reflected in the temperature dependent dielectric properties. For increasing Sn content the peak dielectric constant is found to increase and the phase transition temperature (Tc) decreases to lower temperature. The purely cubic structure with x=0.25 shows a diffused phased transition.

First-principles study of the atomic and electronic properties of (1 0 0) stacking faults in BaSnO3 crystal

NASA Astrophysics Data System (ADS)

Xue, Yuanbin; Wang, Wenyuan; Guo, Yao

2018-02-01

We investigated the atomic and electronic properties of (1 0 0) stacking fault (SF) in undoped and La-doped BaSnO3 by first-principles calculations. It was found that 1/2[1 1 1] (1 0 0) SF is energetically favorable when Ba atoms occupy the interface while 1/2 (1 0 0) [1 0 1] SF becomes the most stable when the SF interface is occupied by Sn atoms. SF influences the distribution of La dopant and the electric properties of the system. In the presence of SF, electronic states near the Fermi level decrease and the bandgap expands by about 0.6 eV. Our results suggest that SF is one of the possible origins for the performance degradation.

Infrared absorption and visible transparency in heavily doped p-type BaSnO 3

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

Li, Yuwei; Sun, Jifeng; Singh, David J.

2017-01-30

The recent experimental work shows that perovskite BaSnO 3 can be heavily doped by K to become a stable p-type semiconductor. Here, we find that p-type perovskite BaSnO 3 retains transparency for visible light while absorbing strongly in the infrared below 1.5 eV. The origin of the remarkable optical transparency even with heavy doping is that the interband transitions that are enabled by empty states at the top of the valence band are concentrated mainly in the energy range from 0.5 to 1.5 eV, i.e., not extending past the near IR. In contrast to n-type, the Burstein-Moss shift is slightlymore » negative, but very small reflecting the heavier valence bands relative to the conduction bands.« less

Interface energy band alignment at the all-transparent p-n heterojunction based on NiO and BaSnO3

NASA Astrophysics Data System (ADS)

Zhang, Jiaye; Han, Shaobo; Luo, Weihuang; Xiang, Shuhuai; Zou, Jianli; Oropeza, Freddy E.; Gu, Meng; Zhang, Kelvin H. L.

2018-04-01

Transparent oxide semiconductors hold great promise for many optoelectronic devices such as transparent electronics, UV-emitting devices, and photodetectors. A p-n heterojunction is the most ubiquitous building block to realize these devices. In this work, we report the fabrication and characterization of the interface properties of a transparent heterojunction consisting of p-type NiO and n-type perovskite BaSnO3. We show that high-quality NiO thin films can be epitaxially grown on BaSnO3 with sharp interfaces because of a small lattice mismatch (˜1.3%). The diode fabricated from this heterojunction exhibits rectifying behavior with a ratio of 500. X-ray photoelectron spectroscopy reveals a type II or "staggered" band alignment with valence and conduction band offsets of 1.44 eV and 1.86 eV, respectively. Moreover, a large upward band bending potential of 0.90 eV for BaSnO3 and a downward band bending potential of 0.15 eV for NiO were observed in the interface region. Such electronic properties have important implication for optoelectronic applications as the large built-in potential provides favorable energetics for photo-generated electron-hole separation/migration.

Natural and anthropic effects on hydrochemistry and major and trace elements in the water mass of a Spanish Pyrenean glacial lake set.

PubMed

Santolaria, Zoe; Arruebo, Tomás; Pardo, Alfonso; Rodríguez-Casals, Carlos; Matesanz, José María; Lanaja, Francisco Javier; Urieta, José Santiago

2017-07-01

This study presents the key hydrochemical characteristics and concentration levels of major (Ca, Mg, Na, Si, K, Sr, Fe) and trace (Ba, Sc, Cr, Mn, Al, As, Li, Co, Cu, U, Pb, Hg, Au, Sn, Zn, Cd, Ag, Ni) elements in the water mass of four selected Pyrenean cirque glacial lakes (Sabocos, Baños, Truchas and Escalar tarns) with different catchment features, between 2010 and 2013. Resulting data set is statistically analyzed to discriminate between the natural or anthropic origin of the elements. Analyses indicate that in all cases, the main source of most major and trace elements is geological weathering, being thus individual bedrock composition the main driver of differences between lakes. Several anthropogenic sources of airborne Cu, Sc, Co, and Cr must be also considered. The shallowness of the lake is also a factor that may influence element cycling and concentration levels in its water mass. Concentrations of anthropogenic elements were low, comparable to those reported in other glacial lakes, way below the WHO, US EPA, EC, and Spanish legal limits for drinking water quality, indicating the absence of serious pollution. Toxic heavy metals Cd, Pb, Hg, and Zn were not detected in any of the tarns.

Milatuzumab-SN-38 conjugates for the treatment of CD74+ cancers.

PubMed

Govindan, Serengulam V; Cardillo, Thomas M; Sharkey, Robert M; Tat, Fatma; Gold, David V; Goldenberg, David M

2013-06-01

CD74 is an attractive target for antibody-drug conjugates (ADC), because it internalizes and recycles after antibody binding. CD74 mostly is associated with hematologic tumors but is expressed also in solid cancers. Therefore, ADCs of the humanized anti-CD74 antibody, milatuzumab, were examined for the therapy of CD74-expressing solid tumors. Milatuzumab-doxorubicin and two milatuzumab-SN-38 conjugates with cleavable linkers, differing in their stability in serum and how they release SN-38 in the lysosome, were prepared. CD74 expression was determined by flow cytometry and immunohistology. In vitro cytotoxicity and in vivo therapeutic studies were conducted in the human cancer cell lines A-375 (melanoma), HuH-7 and Hep-G2 (hepatoma), Capan-1 (pancreatic), NCI-N87 (gastric), and Raji Burkitt lymphoma. The milatuzumab-SN-38 ADC was compared with SN-38 ADCs prepared with anti-Trop-2 and anti-CEACAM6 antibodies in xenografts expressing their target antigens. Milatuzumab-doxorubicin was most effective in the lymphoma model, whereas in A-375 and Capan-1 solid tumors, only milatuzumab-SN-38 showed a therapeutic benefit. Despite much lower surface expression of CD74 than Trop-2 or CEACAM6, milatuzumab-SN-38 had similar efficacy in Capan-1 as anti-Trop-2-SN-38, but in NCI-N87, anti-CEACAM6 and anti-Trop-2 conjugates were superior. Studies in two hepatoma lines at a single dose level showed significant benefit over saline controls but not against an irrelevant immunoglobulin G conjugate. CD74 is a suitable target for ADCs in some solid tumor xenografts, with efficacy largely influenced by uniformity of CD74 expression and with SN-38 conjugates providing the best therapeutic responses; SN-38 conjugates were preferable in solid cancers, whereas doxorubicin ADC was better in lymphoma tested. ©2013 AACR

Dissipation of available benzo[a]pyrene in aging soil co-contaminated with cadmium and pyrene.

PubMed

Wang, Kai; Chen, Xin-xin; Zhu, Zhi-qiang; Huang, Hua-gang; Li, Ting-qiang; Yang, Xiao-e

2014-01-01

A microcosm experiment was conducted to investigate the dissipation of available benzo[a]pyrene (BaP) in soils co-contaminated with cadmium (Cd) and pyrene (PYR) during aging process. The available residue of BaP in soil was separated into desorbing and non-desorbing fractions. The desorbing fraction contributed more to the dissipation of available BaP than the non-desorbing fraction did. The concentration of bound-residue fraction of BaP was quite low across all treatments. Within the duration of this study (250 days), transformation of BaP from available fractions to bound-residue fraction was not observed. Microbial degradation was the dominant mechanism of the dissipation of available BaP in the soil. The dissipation of available BaP was significantly inhibited with the increment in Cd level in the soil. The addition of PYR (250 mg kg(-1)) remarkably promoted the dissipation of available BaP without reducing Cd availability in the soil. The calculated half-life of available BaP in the soil prolonged with the increment in Cd level; however, the addition of PYR shortened the half-life of available BaP by 13.1, 12.7, and 32.8% in 0.44, 2.56, and 22 mg Cd kg(-1) soils, respectively. These results demonstrated that the inhibiting effect of Cd and the promoting effect of PYR on the dissipation of available BaP were competitive. Therefore, this study shows that the bioremediation process of BaP can be more complicated in co-contaminated soils.

Carbon Dioxide Gas Sensors and Method of Manufacturing and Using Same

NASA Technical Reports Server (NTRS)

Hunter, Gary W. (Inventor); Xu, Jennifer C. (Inventor)

2014-01-01

A gas sensor comprises a substrate layer; a pair of interdigitated metal electrodes, said electrodes include upper surfaces, the electrodes selected from the group consisting of Pt, Pd, Au, Ir, Ag, Ru, Rh, In, Os, and their alloys. A first layer of solid electrolyte staying in between electrode fingers and partially on said upper surfaces of said electrodes, said first layer selected from NASICON, LISICON, KSICON and.beta.''-Alumina. A second layer of metal carbonate(s) as an auxiliary electrolyte engaging said upper surfaces of the electrodes and the first solid electrolyte. The metal carbonates selected from the group consisting of the following ions Na.sup.+, K.sup.+, Li.sup.+, Ag.sup.+, H.sup.+, Pb.sup.2+, Sr.sup.2+, Ba.sup.2+, and any combination thereof. An extra layer of metal oxide selected from the group consisting of SnO.sub.2, In.sub.2O.sub.3, TiO.sub.2, WO.sub.3, ZnO, Fe.sub.2O.sub.3, ITO, CdO, U.sub.3O.sub.8, Ta.sub.2O.sub.5, BaO, MoO.sub.2, MoO.sub.3, V.sub.2O.sub.5, Nb.sub.2O.sub.5, CuO, Cr.sub.2O.sub.3, La.sub.2O.sub.3, RuO.sub.3, RuO.sub.2, ReO.sub.2, ReO.sub.3, Ag.sub.2O, CoO, Cu.sub.2O, SnO, NiO, Pr.sub.2O.sub.3, BaO, PdO.sub.2, HfO.sub.3, HfO.sub.3 or other metal oxide and their mixtures residing above and in engagement with the second electrolyte to improve sensor performance and/or to reduce sensor heating power consumption.

Phonon-assisted optical absorption in BaSnO 3 from first principles

NASA Astrophysics Data System (ADS)

Monserrat, Bartomeu; Dreyer, Cyrus E.; Rabe, Karin M.

2018-03-01

The perovskite BaSnO3 provides a promising platform for the realization of an earth-abundant n -type transparent conductor. Its optical properties are dominated by a dispersive conduction band of Sn 5 s states and by a flatter valence band of O 2 p states, with an overall indirect gap of about 2.9 eV . Using first-principles methods, we study the optical properties of BaSnO3 and show that both electron-phonon interactions and exact exchange, included using a hybrid functional, are necessary to obtain a qualitatively correct description of optical absorption in this material. In particular, the electron-phonon interaction drives phonon-assisted optical absorption across the minimum indirect gap and therefore determines the absorption onset, and it also leads to the temperature dependence of the absorption spectrum. Electronic correlations beyond semilocal density functional theory are key to determine the dynamical stability of the cubic perovskite structure, as well as the correct energies of the conduction bands that dominate absorption. Our work demonstrates that phonon-mediated absorption processes should be included in the design of novel transparent conductor materials.

Physical properties of high performance fluoride ion conductor BaSnF4 thin films by pulsed laser deposition

NASA Astrophysics Data System (ADS)

Patro, L. N.; Ravi Chandra Raju, N.; Meher, S. R.; Kamala Bharathi, K.

2013-09-01

This article presents the results on the growth and characterization of BaSnF4 thin films on glass substrates prepared by pulsed laser deposition technique. The structural results of BaSnF4 thin film carried out by glancing angle X-ray diffraction technique indicates the formation of the film with similar structure (tetragonal, P4/nmm) to the bulk target material. The absorption coefficient and band gap of the film is determined by suitable analysis of the transmittance spectra. The transport properties of the thin films are studied using impedance spectroscopy in the temperature range of 323-573 K. The frequency-dependent imaginary part of impedance plot shows that the conductivity relaxation is non-Debye in nature. The scaling behavior of the imaginary part of impedance at various frequencies indicates temperature-independent relaxation behavior.

Structural and dielectric studies of Ce doped BaSnO3 perovskite nanostructures

NASA Astrophysics Data System (ADS)

Angel, S. Lilly; Deepa, K.; Rajamanickam, N.; Jayakumar, K.; Ramachandran, K.

2018-04-01

Undoped and Cerium (Ce) doped BaSnO3(BSO) nanostructures were synthesized by co-precipitation method. The cubic structure and perovskite phase were confirmed by X-ray diffraction (XRD). The crystallite size of BSO is 41nm and when Ce ion concentration is increased, the crystallite sizesdecreased. The nanocube, nanocuboids and nanorods are observed from SEM analysis. The purity of the undoped and doped samples are confirmed by EDS spectrum. For larger defects, wide band gap was obtained from UV-Vis and PL spectrum. The dielectric constants are increased at low frequencies when Ce impurities are introduced in the BSO matrix at Sn site.

High-temperature superconductor bulk magnets that can trap magnetic fields of over 17 tesla at 29 K.

PubMed

Tomita, Masaru; Murakami, Masato

2003-01-30

Large-grain high-temperature superconductors of the form RE-Ba-Cu-O (where RE is a rare-earth element) can trap magnetic fields of several tesla at low temperatures, and so can be used for permanent magnet applications. The magnitude of the trapped field is proportional to the critical current density and the volume of the superconductor. Various potential engineering applications for such magnets have emerged, and some have already been commercialized. However, the range of applications is limited by poor mechanical stability and low thermal conductivity of the bulk superconductors; RE-Ba-Cu-O magnets have been found to fracture during high-field activation, owing to magnetic pressure. Here we present a post-fabrication treatment that improves the mechanical properties as well as thermal conductivity of a bulk Y-Ba-Cu-O magnet, thereby increasing its field-trapping capacity. First, resin impregnation and wrapping the materials in carbon fibre improves the mechanical properties. Second, a small hole drilled into the centre of the magnet allows impregnation of Bi-Pb-Sn-Cd alloy into the superconductor and inclusion of an aluminium wire support, which results in a significant enhancement of thermal stability and internal mechanical strength. As a result, 17.24 T could be trapped, without fracturing, in a bulk Y-Ba-Cu-O sample of 2.65 cm diameter at 29 K.

Solid-state synthesis of nano-sized Ba(Ti1- x Sn x )O3 powders and dielectric properties of corresponding ceramics

NASA Astrophysics Data System (ADS)

Ansaree, Md. Jawed; Kumar, Upendra; Upadhyay, Shail

2017-06-01

Powders of a few compositions of solid solution BaTi1- x Sn x O3 ( x = 0.0, 0.1, 0.2, 0.3 and 0.40) have been synthesized at 800 °C for 8 h using Ba(NO3)2, TiO2 and SnCl4·5H2O as starting materials. The thermogravimetric (TG) and differential scanning calorimetric (DSC) analysis of mixture in the stoichiometric proportion for sample BaTi0.80Sn0.20O3 have been carried out to understand the formation of solid solutions. Single-phase pure compounds (except x = 0.40) of the samples have been obtained at a lower calcination temperature (800 °C) than that of those reported in the literature for traditional solid-state synthesis making use of oxides and or carbonates as starting material (≥1200 °C). Tetragonal symmetry for compositions x = 0.0 and 0.10, cubic for x = 0.2 and 0.30 were found by X-ray diffraction (XRD) analysis. The transmission electron microscopic (TEM) analysis confirmed that calcined powders have a particle size between 30 and 50 nm. Ceramics of these powders were prepared by sintering at 1350 °C for 4 h. Properties of ceramics obtained in this work have been compared with properties reported in the literature.

First principles study of structural, optoelectronic and thermoelectric properties of Cu{sub 2}CdSnX{sub 4} (X = S, Se, Te) chalcogenides

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

Hussain, Sajjad; Murtaza, G., E-mail: murtaza@icp.edu.pk; Haidar Khan, Shah

2016-07-15

Highlights: • Copper based quaternary chalcogenides are important for optoelectronic devices. • The WC-GGA shows that the materials are metallic in nature. • The EV-GGA predicts better band gaps compared to WC-GGA. • Absorption peaks are high in the visible and ultraviolet energy regions. • All the semiconductors have figure of merit above 0.70. - Abstract: In this work, structural, electronic, optical and thermoelectric properties of Cu{sub 2}CdSnX{sub 4} (X = S, Se, Te) have been studied through the full potential linearized augmented plane wave method. Calculated ground state lattice parameters are in good agreement with the experimental results. Latticemore » constant and bulk moduli vary inversely by replacing the anion X from S to Te in Cu{sub 2}CdSnX{sub 4}. The WC-GGA shows that the materials are metallic in nature. The EV-GGA predicts better band gaps compared to WC-GGA. The calculated bandgap values are 1.8, 1.06 and 0.8042 for Cu{sub 2}CdSnX{sub 4}, Cu{sub 2}CdSnX{sub 4}, Cu{sub 2}CdSnX{sub 4} respectively. Cd-d, Sn-s and X-p states contribute significantly in the density of states of the compounds. Absorption peaks and optical conductivity is high in the visible and ultraviolet energy regions. All the semiconductors have figure of merit above 0.70. The optical and thermoelectric properties clearly show that Cu{sub 2}CdSnX{sub 4} are potential candidates in the fields of solar cell and thermoelectric technology.« less

Introduction of BaSnO3 and BaZrO3 artificial pinning centres into 2G HTS wires based on PLD-GdBCO films. Phase I of the industrial R&D programme at SuperOx

NASA Astrophysics Data System (ADS)

Chepikov, V.; Mineev, N.; Degtyarenko, P.; Lee, S.; Petrykin, V.; Ovcharov, A.; Vasiliev, A.; Kaul, A.; Amelichev, V.; Kamenev, A.; Molodyk, A.; Samoilenkov, S.

2017-12-01

An industrial R&D programme is ongoing at SuperOx, aimed at improving 2G HTS wire performance in magnetic field. We introduce perovskite artificial pinning centres (APC) into the HTS layer matrix. In contrast to most studies described in the literature, we use the high rate production processing parameters and PLD equipment at SuperOx. This paper reports the results of Phase I of this programme. We fabricated 2G HTS wires by pulsed laser deposition of GdBCO films doped with 6%, 12% and 18% (molar) of BaSnO3 and 6% (molar) of BaZrO3, and compared their performance with an undoped reference sample. The depositions were carried out at production growth rates of 375, 560 and 750 nm min-1 by varying laser pulse frequency. BaZrO3 and BaSnO3 formed columnar semi-coherent nanoinclusions in the GdBCO film matrix. The average transverse size of the nanocolumns was about 5 nm, and their volume density correlated with the dopant concentration. All doped samples exhibited much lower angular anisotropy of in-field critical current and higher lift-factors than the undoped sample. Samples containing 6% BaSnO3 and deposited at the lower growth rates, had higher I c than the undoped sample in the entire temperature range, in a wide range of magnetic field (B//c). The sample containing 6% BaZrO3 had higher I c than the undoped sample at 20 and 4.2 K. These results are an encouraging start of our programme, as they show a positive impact of APC introduced into 2G HTS wires fabricated at production throughput. Phase II work will be focussed on maximising the improvements in specific temperature and field conditions, as well as on the verification of reproducibility of the improvements in production wires.

Surface tension modelling of liquid Cd-Sn-Zn alloys

NASA Astrophysics Data System (ADS)

Fima, Przemyslaw; Novakovic, Rada

2018-06-01

The thermodynamic model in conjunction with Butler equation and the geometric models were used for the surface tension calculation of Cd-Sn-Zn liquid alloys. Good agreement was found between the experimental data for limiting binaries and model calculations performed with Butler model. In the case of ternary alloys, the surface tension variation with Cd content is better reproduced in the case of alloys lying on vertical sections defined by high Sn to Zn molar fraction ratio. The calculated surface tension is in relatively good agreement with the available experimental data. In addition, the surface segregation of liquid ternary Cd-Sn-Zn and constituent binaries has also been calculated.

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.

Trace elements in farmed fish (Cyprinus carpio, Ctenopharyngodon idella and Oncorhynchus mykiss) from Beijing: implication from feed.

PubMed

Jiang, Haifeng; Qin, Dongli; Mou, Zhenbo; Zhao, Jiwei; Tang, Shizhan; Wu, Song; Gao, Lei

2016-06-01

Concentrations of 30 trace elements, Li, V, Cr, Mn, Fe, Ni, Cu, Mo, Zn, Se, Sr, Co, Al, Ti, As, Cs, Sc, Te, Ba, Ga, Pb, Sn, Cd, Sb, Ag, Tm, TI, Be, Hg and U in major cultured freshwater fish species (common carp-Cyprinus carpio, grass carp-Ctenopharyngodon idella and rainbow trout-Oncorhynchus mykiss) with the corresponding feed from 23 fish farms in Beijing, China, were investigated. The results revealed that Fe, Zn, Cu, Mn, Sr, Se were the major accumulated essential elements and Al, Ti were the major accumulated non-essential elements, while Mo, Co, Ga, Sn, Cd, Sb, Ag, Tm, U, TI, Be, Te, Pb and Hg were hardly detectable. Contents of investigated trace elements were close to or much lower than those in fish from other areas in China. Correlation analysis suggested that the elemental concentrations in those fish species were relatively constant and did not vary much with the fish feed. In comparison with the limits for aquafeeds and fish established by Chinese legislation, Cd in 37.5% of rainbow trout feeds and As in 20% of rainbow trout samples exceeded the maximum limit, assuming that inorganic As accounts for 10% of total As. Further health risk assessment showed that fish consumption would not pose risks to consumers as far as non-essential element contaminants are concerned. However, the carcinogenic risk of As in rainbow trout for the inhabitants in Beijing exceeded the acceptable level of 10(-)(4), to which more attention should be paid.

A Compilation of Metals and Trace Elements Extracted from Materials Relevant to Pharmaceutical Applications such as Packaging Systems and Devices.

PubMed

Jenke, Dennis; Rivera, Christine; Mortensen, Tammy; Amin, Parul; Chacko, Molly; Tran, Thang; Chum, James

2013-01-01

Nearly 100 individual test articles, representative of materials used in pharmaceutical applications such as packaging and devices, were extracted under exaggerated conditions and the levels of 32 metals and trace elements (Ag, Al, As, B, Ba, Be, Bi, Ca, Cd, Co, Cr, Cu, Fe, Ge, Li, Mg, Mn, Mo, Na, Ni, P, Pb, S, Sb, Se, Si, Sn, Sr, Ti, V, Zn, and Zr) were measured in the extracts. The extracting solvents included aqueous mixtures at low and high pH and an organic solvent mixture (40/60 ethanol water). The sealed vessel extractions were performed by placing an appropriate portion of the test articles and an appropriate volume of extracting solution in inert extraction vessels and exposing the extraction units (and associated extraction blanks) to defined conditions of temperature and duration. The levels of extracted target elements were measured by inductively coupled plasma atomic emission spectroscopy. The overall reporting threshold for most of the targeted elements was 0.05 μg/mL, which corresponds to 0.5 μg/g for the most commonly utilized extraction stoichiometry (1 g of material per 10 mL of extracting solvent). The targeted elements could be classified into four major groups depending on the frequency with which they were present in the over 250 extractions reported in this study. Thirteen elements (Ag, As, Be, Cd, Co, Ge, Li, Mo, Ni, Sn, Ti, V, and Zr) were not extracted in reportable quantities from any of the test articles under any of the extraction conditions. Eight additional elements (Bi, Cr, Cu, Mn, Pb, Sb, Se, and Sr) were rarely extracted from the test articles at reportable levels, and three other elements (Ba, Fe, and P) were infrequently extracted from the test articles at reportable levels. The remaining eight elements (Al, B, Ca, Mg, Na, S, Si, and Zn) were more frequently present in the extracts in reportable quantities. These general trends in accumulation behavior were compared to compiled lists of elements of concern as impurities in pharmaceutical products. Nearly 100 individual test articles, representative of materials used in pharmaceutical applications such as packaging and devices, were extracted under exaggerated conditions, and the levels of thirty-two metals and trace elements (Ag, Al, As, B, Ba, Be, Bi, Ca, Cd, Co, Cr, Cu, Fe, Ge, Li, Mg, Mn, Mo, Na, Ni, P, Pb, S, Sb, Se, Si, Sn, Sr, Ti, V, Zn, and Zr) were measured in the extracts. The targeted elements could be classified into four major groups depending on the frequency with which they were present in the extractions reported in this study: those elements that were not extracted in reportable quantities from any of the test articles under any of the extraction conditions, those elements that were rarely extracted from the test articles at reportable levels, those elements that were infrequently extracted from the test articles at reportable levels, and those elements that were more frequently present in the extracts in reportable quantities.

Trigonal Cu2-II-Sn-VI4 (II = Ba, Sr and VI = S, Se) quaternary compounds for earth-abundant photovoltaics.

PubMed

Hong, Feng; Lin, Wenjun; Meng, Weiwei; Yan, Yanfa

2016-02-14

We propose trigonal Cu2-II-Sn-VI4 (II = Ba, Sr and VI = S, Se) quaternary compounds for earth-abundant solar cell applications. Through density functional theory calculations, we show that these compounds exhibit similar electronic and optical properties to kesterite Cu2ZnSnS4 (CZTS): high optical absorption with band gaps suitable for efficient single-junction solar cell applications. However, the trigonal Cu2-II-Sn-VI4 compounds exhibit defect properties more suitable for photovoltaic applications than those of CZTS. In CZTS, the dominant defects are the deep acceptors, Cu substitutions on Zn sites, which cause non-radiative recombination and limit the open-circuit voltages of CZTS solar cells. On the contrary, the dominant defects in trigonal Cu2-II-Sn-VI4 are the shallow acceptors, Cu vacancies, similar to those in CuInSe2. Our results suggest that the trigonal Cu2-II-Sn-VI4 quaternary compounds could be promising candidates for efficient earth-abundant thin-film solar cell and photoeletrochemical water-splitting applications.

Germanium–Tin/Cadmium Sulfide Core/Shell Nanocrystals with Enhanced Near-Infrared Photoluminescence

DOE PAGES

Boote, Brett W.; Men, Long; Andaraarachchi, Himashi P.; ...

2017-06-27

Ge 1–xSn x alloy nanocrystals and Ge 1–xSn x/CdS core/shell nanocrystals were prepared via solution phase synthesis, and their size, composition, and optical properties were characterized. We found that the diameter of the nanocrystal samples ranged from 6 to 13 nm. Furthermore, the crystal structure of the Ge 1–xSn x materials was consistent with a cubic diamond phase, while the CdS shell was consistent with the zinc blende polytype. Inclusion of Sn alone does not result in enhanced photoluminescence intensity; however, adding an epitaxial CdS shell onto the Ge 1–xSn x nanocrystals does enhance the photoluminescence up to 15-fold versusmore » that of Ge/CdS nanocrystals with a pure Ge core. There is more effective passivation of surface defects, and a consequent decrease in the level of surface oxidation, by the CdS shell as a result of improved epitaxy (smaller lattice mismatch) is the most likely explanation for the increased photoluminescence observed for the Ge 1–xSn x/CdS materials. With enhanced photoluminescence in the near-infrared region, Ge 1–xSn x core/shell nanocrystals might be useful alternatives to other materials for energy capture and conversion applications and as imaging probes.« less

Earth-Abundant Chalcogenide Photovoltaic Devices with over 5% Efficiency Based on a Cu2 BaSn(S,Se)4 Absorber.

PubMed

Shin, Donghyeop; Zhu, Tong; Huang, Xuan; Gunawan, Oki; Blum, Volker; Mitzi, David B

2017-06-01

In recent years, Cu 2 ZnSn(S,Se) 4 (CZTSSe) materials have enabled important progress in associated thin-film photovoltaic (PV) technology, while avoiding scarce and/or toxic metals; however, cationic disorder and associated band tailing fundamentally limit device performance. Cu 2 BaSnS 4 (CBTS) has recently been proposed as a prospective alternative large bandgap (~2 eV), environmentally friendly PV material, with ~2% power conversion efficiency (PCE) already demonstrated in corresponding devices. In this study, a two-step process (i.e., precursor sputter deposition followed by successive sulfurization/selenization) yields high-quality nominally pinhole-free films with large (>1 µm) grains of selenium-incorporated (x = 3) Cu 2 BaSnS 4- x Se x (CBTSSe) for high-efficiency PV devices. By incorporating Se in the sulfide film, absorber layers with 1.55 eV bandgap, ideal for single-junction PV, have been achieved within the CBTSSe trigonal structural family. The abrupt transition in quantum efficiency data for wavelengths above the absorption edge, coupled with a strong sharp photoluminescence feature, confirms the relative absence of band tailing in CBTSSe compared to CZTSSe. For the first time, by combining bandgap tuning with an air-annealing step, a CBTSSe-based PV device with 5.2% PCE (total area 0.425 cm 2 ) is reported, >2.5× better than the previous champion pure sulfide device. These results suggest substantial promise for the emerging Se-rich Cu 2 BaSnS 4- x Se x family for high-efficiency and earth-abundant PV. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Electro-caloric effect in lead-free Sn doped BaTiO{sub 3} ceramics at room temperature and low applied fields

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

Upadhyay, Sanjay Kumar; Reddy, V. Raghavendra, E-mail: varimalla@yahoo.com, E-mail: vrreddy@csr.res.in; Bag, Pallab

2014-09-15

Structural, dielectric, ferroelectric (FE), {sup 119}Sn Mössbauer, and specific heat measurements of polycrystalline BaTi{sub 1–x}Sn{sub x}O{sub 3} (x = 0% to 15%) ceramics are reported. Phase purity and homogeneous phase formation with Sn doping is confirmed from x-ray diffraction and {sup 119}Sn Mössbauer measurements. With Sn doping, the microstructure is found to change significantly. Better ferroelectric properties at room temperature, i.e., increased remnant polarization (38% more) and very low field switchability (225% less) are observed for x = 5% sample as compared to other samples and the results are explained in terms of grain size effects. With Sn doping, merging of all the phasemore » transitions into a single one is observed for x ≥ 10% and for x = 5%, the tetragonal to orthorhombic transition temperature is found close to room temperature. As a consequence better electro-caloric effects are observed for x = 5% sample and therefore is expected to satisfy the requirements for non-toxic, low energy (field) and room temperature based applications.« less

High Pressure Properties of a Ba-Cu-Zn-P Clathrate-I

DOE PAGES

Dolyniuk, Juli -Anna; Kovnir, Kirill

2016-08-12

Here, the high pressure properties of the novel tetrel-free clathrate, Ba 8Cu 13.1Zn 3.3P 29.6, were investigated using synchrotron powder X-ray diffraction. The pressure was applied using a diamond anvil cell. No structural transitions or decomposition were detected in the studied pressure range of 0.1–7 GPa. The calculated bulk modulus for Ba 8Cu 13.1Zn 3.3P 29.6 using a third-order Birch-Murnaghan equation of state is 65(6) GPa at 300 K. This bulk modulus is comparable to the bulk moduli of Ge- and Sn-based clathrates, like A 8Ga 16Ge 30 (A = Sr, Ba) and Sn 19.3Cu 4.7P 22I 8, but lowermore » than those for the transition metal-containing silicon-based clathrates, Ba 8 T xSi46–x, T = Ni, Cu; 3 ≤ x ≤ 5.« less

Trace elements in streambed sediments of small subtropical streams on O'ahu, Hawai'i: Results from the USGS NAWQA program

USGS Publications Warehouse

De Carlo, E. H.; Tomlinson, M.S.; Anthony, S.S.

2005-01-01

Data are presented for trace element concentrations determined in the <63 ??m fraction of streambed sediment samples collected at 24 sites on the island of O'ahu, Hawai'i. Sampling sites were classified as urban, agricultural, mixed (urban/agricultural), or forested based on their dominant land use, although the mixed land use at selected sampling sites consisted of either urban and agricultural or forested and agricultural land uses. Forest dominated sites were used as reference sites for calculating enrichment factors. Trace element concentrations were compared to concentrations from studies conducted in the conterminous United States using identical methods and to aquatic-life guidelines provided by the Canadian Council of Ministers of the Environment. A variety of elements including Pb, Cr, Cu and Zn exceeded the aquatic-life guidelines in selected samples. All of the Cr and Zn values and 16 of 24 Cu values exceeded their respective guidelines. The potential toxicity of elements exceeding guidelines, however, should be considered in the context of strong enrichments of selected trace elements attributable to source rocks in Hawai'i, as well as in the context of the abundance of fine-grained sediment in the streambed of O'ahu streams. Statistical methods including cluster analysis, Kruskal-Wallis non-parametric test, correlation analysis, and principal component analysis (PCA) were used to evaluate differences and elucidate relationships between trace elements and sites. Overall, trace element distributions and abundances can be correlated to three principal sources of elements. These include basaltic rocks of the volcanic edifice (Fe, Al, Ni, Co, Cr, V and Cu), carbonate/seawater derived elements (Mg, Ca, Na and Sr), and elements enriched owing to anthropogenic activity (P, Sn, Cd, Sn, Ba and Pb). Anthropogenic enrichment gradients were observed for Ba, Cd, Pb, Sn and Zn in the four streams in which sediments were collected upstream and downstream. The findings of this study are generally similar to but differ slightly from previous work on sediments and suspended particulate matter in streams, from two urban watersheds of O'ahu, Hawai'i. Inter-element associations in the latter were often stronger and indicated a mixture of anthropogenic, agricultural and basaltic sources of trace elements. Some elements fell into different statistical categories in the two studies, owing in part to differences in study design and the hydrogeological constraints on the respective study areas.

Evolution of band topology by competing band overlap and spin-orbit coupling: Twin Dirac cones in Ba3SnO as a prototype

NASA Astrophysics Data System (ADS)

Kariyado, Toshikaze; Ogata, Masao

2017-11-01

We theoretically demonstrate how competition between band inversion and spin-orbit coupling (SOC) results in nontrivial evolution of band topology, taking antiperovskite Ba3SnO as a prototype material. A key observation is that when the band inversion dominates over SOC, there appear "twin" Dirac cones in the band structure. Due to the twin Dirac cones, the band shows highly peculiar structure in which the upper cone of one of the twin continuously transforms to the lower cone of the other. Interestingly, the relative size of the band inversion and SOC is controlled in this series of antiperovskite A3E O by substitution of A (Ca, Sr, Ba) and/or E (Sn, Pb) atoms. Analysis of an effective model shows that the emergence of twin Dirac cones is general, which makes our argument a promising starting point for finding a singular band structure induced by the competing band inversion and SOC.

Thermoelectric properties of sintered type-II clathrates (K, Ba)24(Ga, Sn)136 with various carrier concentrations

NASA Astrophysics Data System (ADS)

Kishimoto, Kengo; Koda, Shota; Akai, Koji; Koyanagi, Tsuyoshi

2015-09-01

We reported the thermoelectric properties of the sintered type-II clathrate K8Ba16Ga40Sn96 in a previous paper [S. Koda et al., J. Appl. Phys. 116, 023710 (2014)]. The clathrate had a high dimensionless figure of merit ZT, namely, 0.93. In this study, we optimized the carrier concentration n by modifying the chemical compositions of (K, Ba)24(Ga, Sn)136 samples, and heat treated the sintered samples. The carrier mobilities μ were improved because of the reduction in potential barrier scattering at grain boundaries. The room-temperature (RT) n values varied from 7.7 × 1017 to 3.7 × 1019 cm-3; the maximum RT μ value was 170 cm2V-1s-1. Consequently, we obtained a high ZT value of 1.19 at 630 K for n = 2.5 × 1019 cm-3. This material therefore has good thermoelectric properties.

Structure and transport properties of dense polycrystalline clathrate-II (K,Ba) 16(Ga,Sn) 136 synthesized by a new approach employing SPS

DOE PAGES

Wei, Kaya; Zeng, Xiaoyu; Tritt, Terry M.; ...

2016-08-26

Tin clathrate-II framework-substituted compositions are of current interest as potential thermoelectric materials for medium-temperature applications. A review of the literature reveals different compositions reported with varying physical properties, which depend strongly on the exact composition as well as the processing conditions. We therefore initiated an approach whereby single crystals of two different (K,Ba) 16(Ga,Sn) 136 compositions were first obtained, followed by grinding of the crystals into fine powder for low temperature spark plasma sintering consolidation into dense polycrystalline solids and subsequent high temperature transport measurements. Powder X-ray refinement results indicate that the hexakaidecahedra are empty, K and Ba occupying onlymore » the decahedra. Their electrical properties depend on composition and have very low thermal conductivities. As a result, the structural and transport properties of these materials are compared to that of other Sn clathrate-II compositions.« less

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

Young, Steve M.; Manni, S.; Shao, Junping

BaSn 2 has been shown to form as layers of buckled stanene intercalated by barium ions. However, despite an apparently straightforward synthesis and significant interest in stanene as a topological material, BaSn 2 has been left largely unexplored, and has only recently been recognized as a potential topological insulator. Belonging to neither the lead nor bismuth chalcogenide families, it would represent a unique manifestation of the topological insulating phase. Here in this paper, we present a detailed investigation of BaSn 2, using both ab initio and experimental methods. First-principles calculations demonstrate that this overlooked material is indeed a strong, wide-gapmore » topological insulator with a bulk band gap of 200 meV. We characterize the surface state dependence on termination chemistry, providing guidance for experimental efforts to measure and manipulate its topological properties. Additionally, through ab initio modeling and synthesis experiments, we explore the stability and accessibility of this phase, revealing a complicated phase diagram that indicates a challenging path to obtaining single crystals.« less

Testing Room-Temperature Ionic Liquid Solutions for Depot Repair of Aluminum Coatings

DTIC Science & Technology

2011-05-01

Ne 3 Na Mg IIIB IVB VB VIB VIIB ------ VIIIB ------ IB IIB Al Si P S Cl Ar 4 K Ca Sc Ti V Cr Mn Fe Co Ni Cu Zn Ga Ge As Se Br Kr 5 Rb Sr Y Zr Nb Mo Tc...Ru Rh Pd Ag Cd In Sn Sb Te I Xe 6 Cs Ba La Hf Ta W Re Os Ir Pt Au Hg Tl Pb Bi Po At Rn 7 Fr Ra Ac Ce Pr Nd Pm Sm Eu Gd Tb Dy Ho Er Tm Yb Lu Th Pa U Np...Electroplating Bath Lid Arrangement ;:::::::::::=== Thermometer Purge gas vent Anode lead Cathode lead (Extractable from the lid) Purge feed gas

Highly selective on-off fluorescence recognition of Fe3+ based on a coumarin derivative and its application in live-cell imaging

NASA Astrophysics Data System (ADS)

Warrier, Sona; Kharkar, Prashant S.

2018-01-01

A novel coumarin chemosensor, 7-hydroxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (Probe 1), demonstrated significant selectivity towards Fe3+ ions. Probe 1 exhibited high fluorescence emission profile at 447 nm, excellent selectivity towards Fe3+ over other biologically important metal ions (Al3+, Ba2+, Co2+, Cu2+, Zn2+, Cd2+, Hg2+, Pb2+ and Sn2+). Interestingly, there was 30-fold decrease in fluorescence intensity upon Fe3+ binding. The limit of detection of Fe3+ was found to be 0.76 μM ( 40 ppb). Probe 1 also exhibited high potential as an intracellular chemosensor for Fe3+.

Heavy metal bioaccumulation and risk assessment for wild and farmed beluga sturgeon caviar.

PubMed

Hosseini, Seyed Vali; Hosseini, Seyed Mehdi; Monsef Rad, Seyede Fatemeh; Mobinifar, Mohammad; Regenstein, Joe M

2013-12-01

Because of over-exploitation of sturgeon for caviar production, they have been listed worldwide in annex II of the Convention on International Trade in Endangered Species regulations; so caviar production using aquaculture is increasingly seen as a feasible way to reduce overfishing. The accumulation of the nonessential metals As, Ba, Cd, Hg, Pb, and Sn was determined in the caviar of farmed and wild Beluga sturgeon (Huso huso). The levels of As in both and Cd in wild samples were less than 0.01 mg kg(-1) wet weight, and the comparison for all of the metals studied did not show large fluctuations in metal concentrations between farmed and wild caviar samples. The average for each toxic metal was below the permissible limits proposed by the UK's Ministry of Agriculture, Fisheries and Foods (2000). The maximum allowable daily consumption rate of caviar was calculated; however, the health risks from caviar consumption are uncertain because the amount of caviar consumed by heavy users is not known.

A novel alcohol/iron (III) fuel cell

NASA Astrophysics Data System (ADS)

Yi, Qingfeng; Zou, Tao; Zhang, Yuanyuan; Liu, Xiaoping; Xu, Guorong; Nie, Huidong; Zhou, Xiulin

2016-07-01

A novel alcohol fuel cell is constructed by using Fe3+ as the oxidation agent instead of the conventional O2. Various alcohols as the fuels are tested, including methanol, ethanol, n-propanol and iso-propanol. In this fuel cell, the anode catalysts tested are PdSn/β-cd-CNT, PdSn/CNT, Pd/β-cd-CNT, Pd/CNT and Pd/β-cd-C, prepared by using multi-walled carbon nanotube (CNT) and carbon powder (C), as well as β-cyclodexdrin (β-cd) modified CNT (β-cd-CNT) and β-cd modified C (β-cd-C), as the substrates to immobilize PdSn and Pd nanoparticles in glycol solvent. The as-synthesized PdSn/β-cd-CNT catalyst presents significantly higher electroactivity for alcohol oxidation than the conventional Pd/C catalyst. Fe3+ reduction reaction is carried out on the cathode made of carbon powder. The anolyte (alcohols in 1 mol L-1 NaOH) and catholyte (Fe3+ in 0.5 mol L-1 NaCl) are separated with a Nafion 117 membrane. Open circuit voltage (OCV) of the cell with the anode PdSn/β-cd-CNT is 1.14-1.22 V, depending upon the used alcohol. The maximum power densities with methanol, ethanol, n-propanol and iso-propanol fuels are 15.2, 16.1, 19.9 and 12.2 mW cm-2, respectively.

Neutron Capture Reaction on 112Cd to Study of the s-process Origin of 115Sn

NASA Astrophysics Data System (ADS)

Hayakawa, Takehito; Toh, Yosuke; Shizuma, Toshiyuki; Kimura, Atsushi; Nakamura, Shoji; Harada, Hideo; Iwamoto, Nobuyuki; Kajino, Toshitaka; Chiba, Satoshi

The astrophysical origin of 115Sn has remained still an open question. An isomer with a half-life of 14.1 y in 113Cd is a branching point from which a nucleosynthesis flow reaches to a rare isotope 115Sn. The s-process abundance of 115Sn depends on the ratio of the 112Cd(n, γ)113Cdm reaction cross section to the 112Cd(n, γ)113Cdgs reaction cross section. However, the isomer production ratio following the neutron capture reaction has not been measured in an energy region higher than the thermal energy. We have measured γ-ray intensity ratios following neutron capture reactions on 112Cd using the HPGe detectors in conjunction with a time-of-flight method at ANNRI in J-PARC.

Photovoltaic devices comprising cadmium stannate transparent conducting films and method for making

DOEpatents

Wu, Xuanzhi; Coutts, Timothy J.; Sheldon, Peter; Rose, Douglas H.

1999-01-01

A photovoltaic device having a substrate, a layer of Cd.sub.2 SnO.sub.4 disposed on said substrate as a front contact, a thin film comprising two or more layers of semiconductor materials disposed on said layer of Cd.sub.2 SnO.sub.4, and an electrically conductive film disposed on said thin film of semiconductor materials to form a rear electrical contact to said thin film. The device is formed by RF sputter coating a Cd.sub.2 SnO.sub.4 layer onto a substrate, depositing a thin film of semiconductor materials onto the layer of Cd.sub.2 SnO.sub.4, and depositing an electrically conductive film onto the thin film of semiconductor materials.

P-type hole mobility measurement in Na-doped BaSnO3

NASA Astrophysics Data System (ADS)

Hong, Sungyun; Jang, Yeaju; Park, Jisung; Char, Kookrin

P-type doping in oxide materials has been a difficult task because of the oxygen vacancies. Taking advantage of the excellent oxygen stability in BaSnO3 (BSO), we replaced Ba with Na in BSO to achieve p-type doping. Ba1-xNaxSnO3 (BNSO) films with varying dopant ratios were epitaxially grown by the pulsed laser deposition technique. We confirmed that the BNSO films were properly grown and determined their lattice constants with respect to the dopant ratio by x-ray diffraction. Due to the high resistance of the films at room temperature, we measured the transport properties of the BNSO films at temperatures ranging from 200 C to 400 C. Hall resistance measurements in a +/- 5 kG magnetic field were performed to confirm that the films are indeed p-type. As the temperature increased, the hole carrier concentration of the films increased while the film resistance decreased. The hole mobility values, in the tens of cm2/Vsec range, were found to decrease with the temperature. We will present the complete doping rate and temperature dependence of the hole mobility and compare their behavior with those of n-type La-doped BSO. Samsung science and technology foundation.

Chemical characteristics and source of size-fractionated atmospheric particle in haze episode in Beijing

NASA Astrophysics Data System (ADS)

Tan, Jihua; Duan, Jingchun; Zhen, Naijia; He, Kebin; Hao, Jiming

2016-01-01

The abundance, behavior, and source of chemical species in size-fractionated atmospheric particle were studied with a 13-stage low pressure impactor (ELPI) during high polluted winter episode in Beijing. Thirty three elements (Al, Ca, Fe, K, Mg, Na, Si, Sc, Ti, V, Cr, Mn, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Sr, Zr, Mo, Ag, Cd, In, Sn, Sb, Cs, Ba, Hg, Tl, and Pb) and eight water soluble ions (Cl-, NO3-, SO42 -, NH4+, Na+, K+, Ca2 +, and Mg2 +) were determined by ICP/MS and IC, respectively. The size distribution of TC (OC + EC) was reconstructed. Averagely, 51.5 ± 5.3% and 74.1 ± 3.7% of the total aerosol mass was distributed in the sub-micron (PM1) and fine particle (PM2.5), respectively. A significant shift to larger fractions during heavy pollution episode was observed for aerosol mass, NH4+, SO42 -, NO3-, K, Fe, Cu, Zn, Cd, and Pb. The mass size distributions of NH4+, SO42 -, NO3-, and K were dominated by accumulation mode. Size distributions of elements were classified into four main types: (I) elements were enriched within the accumulation mode (< 1 μm, Ge, Se, Ag, Sn, Sb, Cs, Hg, Ti, and Pb); (II) those mass (K, Cr, Mn, Cu, Zn, As, Mo, and Cd) was resided mainly within the accumulation mode, ranged from 1 to 2 μm; (III) Na, V, Co, Ni, and Ga were distributed among fine, intermediate, and coarse modes; and (IV) those which were mainly found within particles larger than 2.7 μm (Al, Mg, Si, Ca, Sc, Tl, Fe, Sr, Zr, and Ba). [H+]cor showed an accumulation mode at 600-700 nm and the role of Ca2 + should be fully considered in the estimation of acidity. The acidity in accumulation mode particles suggested that generally gaseous NH3 was not enough to neutralize sulfate completely. PMF method was applied for source apportionment of elements combined with water soluble ions. Dust, vehicle, aged coal combustion, and sea salt were identified, and the size resolved source apportionments were discussed. Aged coal combustion was the important source of fine particles and dust contributed most to coarse particle.

New stable ternary alkaline-earth metal Pb(II) oxides: Ca / Sr / BaPb 2 O 3 and BaPbO 2

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

Li, Yuwei; Zhang, Lijun; Singh, David J.

The different but related chemical behaviors of Pb(II) oxides compared to Sn(II) oxides, and the existence of known alkali/alkali-earth metal Sn(II) ternary phases, suggest that there should be additional ternary Pb(II) oxide phases. Here, we report structure searches on the ternary alkaline-earth metal Pb(II) oxides leading to four new phases. These are two ternary Pb(II) oxides, SrPb 2O 3 and BaPb 2O 3, which have larger chemical potential stability ranges compared with the corresponding Sn(II) oxides, and additionally two other ternary Pb(II) oxides, CaPb 2O 3 and BaPbO 2, for which there are no corresponding Sn(II) oxides. Those Pb(II) oxidesmore » are stabilized by Pb-rich conditions. These structures follow the Zintl behavior and consist of basic structural motifs of (PbO 3) 4- anionic units separated and stabilized by the alkaline-earth metal ions. They show wide band gaps ranging from 2.86 to 3.12 eV, and two compounds (CaPb 2O 3 and SrPb 2O 3) show rather light hole effective masses (around 2m 0). The valence band maxima of these compounds have a Pb-6s/O-2p antibonding character, which may lead to p-type defect (or doping) tolerant behavior. This then suggests alkaline-earth metal Pb(II) oxides may be potential p-type transparent conducting oxides.« less

New stable ternary alkaline-earth metal Pb(II) oxides: Ca / Sr / BaPb 2 O 3 and BaPbO 2

DOE PAGES

Li, Yuwei; Zhang, Lijun; Singh, David J.

2017-10-16

The different but related chemical behaviors of Pb(II) oxides compared to Sn(II) oxides, and the existence of known alkali/alkali-earth metal Sn(II) ternary phases, suggest that there should be additional ternary Pb(II) oxide phases. Here, we report structure searches on the ternary alkaline-earth metal Pb(II) oxides leading to four new phases. These are two ternary Pb(II) oxides, SrPb 2O 3 and BaPb 2O 3, which have larger chemical potential stability ranges compared with the corresponding Sn(II) oxides, and additionally two other ternary Pb(II) oxides, CaPb 2O 3 and BaPbO 2, for which there are no corresponding Sn(II) oxides. Those Pb(II) oxidesmore » are stabilized by Pb-rich conditions. These structures follow the Zintl behavior and consist of basic structural motifs of (PbO 3) 4- anionic units separated and stabilized by the alkaline-earth metal ions. They show wide band gaps ranging from 2.86 to 3.12 eV, and two compounds (CaPb 2O 3 and SrPb 2O 3) show rather light hole effective masses (around 2m 0). The valence band maxima of these compounds have a Pb-6s/O-2p antibonding character, which may lead to p-type defect (or doping) tolerant behavior. This then suggests alkaline-earth metal Pb(II) oxides may be potential p-type transparent conducting oxides.« less

Selective Detection of Formaldehyde Gas Using a Cd-Doped TiO2-SnO2 Sensor

PubMed Central

Zeng, Wen; Liu, Tianmo; Wang, Zhongchang; Tsukimoto, Susumu; Saito, Mitsuhiro; Ikuhara, Yuichi

2009-01-01

We report the microstructure and gas-sensing properties of a nonequilibrium TiO2-SnO2 solid solution prepared by the sol-gel method. In particular, we focus on the effect of Cd doping on the sensing behavior of the TiO2-SnO2 sensor. Of all volatile organic compound gases examined, the sensor with Cd doping exhibits exclusive selectivity as well as high sensitivity to formaldehyde, a main harmful indoor gas. The key gas-sensing quantities, maximum sensitivity, optimal working temperature, and response and recovery time, are found to meet the basic industrial needs. This makes the Cd-doped TiO2-SnO2 composite a promising sensor material for detecting the formaldehyde gas. PMID:22291551

Photovoltaic devices comprising cadmium stannate transparent conducting films and method for making

DOEpatents

Wu, X.; Coutts, T.J.; Sheldon, P.; Rose, D.H.

1999-07-13

A photovoltaic device is disclosed having a substrate, a layer of Cd[sub 2]SnO[sub 4] disposed on said substrate as a front contact, a thin film comprising two or more layers of semiconductor materials disposed on said layer of Cd[sub 2]SnO[sub 4], and an electrically conductive film disposed on said thin film of semiconductor materials to form a rear electrical contact to said thin film. The device is formed by RF sputter coating a Cd[sub 2]SnO[sub 4] layer onto a substrate, depositing a thin film of semiconductor materials onto the layer of Cd[sub 2]SnO[sub 4], and depositing an electrically conductive film onto the thin film of semiconductor materials. 10 figs.

Composition and Elution Behavior of Various Elements from Printed Circuit Boards, Cathode-ray Tube Glass, and Liquid-crystal Displays in Waste Consumer Electronics.

PubMed

Inaba, Kazuho; Murata, Tomoyoshi; Yamamura, Shigeki; Nagano, Masaaki; Iwasaki, Kazuhiro; Nakajima, Daisuke; Takigami, Hidetaka

2018-01-01

The contents and elution behavior of metals in consumer electronics parts were determined so as to understand their maximum environmental risk. Elements contained most in printed-circuit boards were Cu, Si, Br, Ca, Al, Sn, Pb, Sb, Ba, Fe, Ni, Ti, and Zn; in cathode-ray tube glass were Si, Pb, Ba, Sr, Zn, Zr, Ca, and Sb; in arsenic contained liquid-crystal displays were Si, Ca, Sr, Ba, As, and Fe; and in antimony contained liquid-crystal displays were Si, Ba, Ca, Sb, Sr, Fe, and Sn. The elements eluted most from printed-circuit boards were Zn, Pb, and Cu; from cathode-ray tube glass were Pb, Zn, B, Ba, and Si; and from liquid-crystal displays were B and Si, and the toxic As and Sb. The amount eluted was greatest at acidic pH. It was revealed that officially recommended 6-h-shaking with a pure water test was insufficient to understand the real environmental risk of waste electronics.

A study of Bi-Pb-Sn-Cd-Sb penta-alloys rapidly quenched from melt

NASA Astrophysics Data System (ADS)

Kamal, M.; El-Bediwi, A. B.

2004-11-01

Optical microscopy, X-ray diffractometry, the double bridge method, the Vickers microhardness testing and dynamic resonance techniques have been used to investigate structure, electrical resistivity, hardness, internal friction and elastic modulus of quenched Bi-Pb-Sn-Cd-Sb penta-alloys. The properties of these penta-alloys are greatly affected by rapid quenching. The intermetallic compound chi(Pb-Bi) or Bi3Pb7 is obtained after rapid quenching using the melt-spinning technique, and this is in agreement with reports by other authors [Marshall, T.J., Mott, G. T. and Grieverson, M. H. (1975). Br. J. Radiol., 48, 924, Kamal, M., El-Bediwi, A. B. and Karman, M. B. (1998). Structure, mechanical properties and electrical resistivity of rapidly solidified Pb-Sn-Cd and Pb-Bi-Sn-Cd alloys. J. Mater. Sci.: Mater. Electron., 9, 425, Borromee-Gautier, C., Giessen, B. C. and Grrant, N. J. (1968). J. Chem. Phys., 48,1905, Moon, K.-W., Boettinger, W. J., Kanner, U. R., Handwerker, C. A. and Lee, D.-J. (2001). The effect of Pb contamination on the solidification behavior of Sn-Bi solders. J. Electron. Mater, 30, 45.]. The quenched Bi43.5Pb44.5Cd5Sn2Sb5 alloy has important properties for safety devices in fire detection and extinguishing systems.

Nuclear structure study for the neutron-rich nuclei beyond 132Sn: In-beam gamma-ray spectroscopy of 136Sn and 132Cd

NASA Astrophysics Data System (ADS)

Wang, He; Aoi, Nori; Takeuchi, Satoshi; Matsushita, Masafumi; Doornenbal, Pieter; Motobayashi, Tohru; Steppenbeck, David; Yoneda, Kenichiro; Baba, Hidetada; Dombrádi, Zsolt; Kobayashi, Kota; Kondo, Yosuke; Lee, Jenny; Liu, Hong-Na; Minakata, Ryogo; Nishimura, Daiki; Otsu, Hideaki; Sakurai, Hiroyoshi; Sohler, Dora; Sun, Ye-Lei; Tian, Zheng-Yang; Tanaka, Ryuki; Vajta, Zsolt; Yang, Zai-Hong; Yamamoto, Tetsuya; Ye, Yan-Lin; Yokoyama, Rin

2018-05-01

The neutron-rich nuclei 136Sn and 132Cd have been studied in the purpose of nuclear structure for the nuclei beyond the doubly-magic nucleus 132Sn. The 2+1 → 0+ gs transitions were identified for these two nuclei using in-beam γ-ray spectroscopy in coincidence with one- and two-proton removal reactions, respectively, at the RIKEN Radioactive Isotope Beam Factory. The 2+ 1 state in 136Sn is found to be similar to that for 134Sn indicating the seniority scheme may also hold for the heavy tin isotopes beyond N = 82. For 132Cd, the 2+ 1 state provides the first spectroscopic information in the even-even nuclei locating in the region "southeast" of 132Sn and the result is discussed in terms of proton-neutron configuration mixing. In both these two nuclei, it was found that the valence neutrons play an essential role in their low-lying excitations.

Cluster Chemistry in Electron-Poor Ae-Pt-Cd Systems (Ae=Ca, Sr, Ba): (Sr,Ba)Pt2Cd4, Ca6Pt8Cd16, and Its Known Antitype Er6Pd16Sb8

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

Samal, Saroj L.; Gulo, Fakhili; Corbett, John D.

Three new ternary polar intermetallic compounds, cubic Ca6Pt8Cd16, and tetragonal (Sr, Ba)Pt2Cd4 have been discovered during explorations of the Ae–Pt–Cd systems. Cubic Ca6Pt8Cd16 (Fm-3m, Z = 4, a = 13.513(1) Å) contains a 3D array of separate Cd8 tetrahedral stars (TS) that are both face capped along the axes and diagonally bridged by Pt atoms to generate the 3D anionic network Cd8[Pt(1)]6/2[Pt(2)]4/8. The complementary cationic surface of the cell consists of a face-centered cube of Pt(3)@Ca6 octahedra. This structure is an ordered ternary variant of Sc11Ir4 (Sc6Ir8Sc16), a stuffed version of the close relative Na6Au7Cd16, and a network inverse ofmore » the recent Er6Sb8Pd16 (compare Ca6Pt8Cd16). The three groups of elements each occur in only one structural version. The new AePt2Cd4, Ae = Sr, Ba, are tetragonal (P42/mnm,Z = 2, a ≈ 8.30 Å, c ≈ 4.47 Å) and contain chains of edge-sharing Cd4 tetrahedra along c that are bridged by four-bonded Ba/Sr. LMTO-ASA and ICOHP calculation results and comparisons show that the major bonding (Hamilton) populations in Ca6Pt8Cd16 and Er6Sb8Pd16 come from polar Pt–Cd and Pd–Sb interactions, that Pt exhibits larger relativistic contributions than Pd, that characteristic size and orbital differences are most evident for Sb 5s, Pt8, and Pd16, and that some terms remain incomparable, Ca–Cd versus Er–Pd.« less

Ultrahigh sensitivity and gain white light photodetector based on GaTe/Sn : CdS nanoflake/nanowire heterostructures

NASA Astrophysics Data System (ADS)

Zhou, Weichang; Zhou, Yong; Peng, Yuehua; Zhang, Yong; Yin, Yanling; Tang, Dongsheng

2014-11-01

Optoelectronic diode based on PN heterostructure is one of the most fundamental device building blocks with extensive applications. Here we reported the fabrication and optoelectronic properties of GaTe/Sn : CdS nanoflake/nanowire PN heterojunction photodetectors. With high quality contacts between metal electrodes and Sn : CdS or GaTe, the electrical measurement of GaTe/Sn : CdS hybrid heterojunction under dark condition demonstrates an excellent diode characteristic with well-defined current rectification behavior. The photocurrent increases drastically under LED white light as well as red, green, UV illumination. The on-off ratio of current is about 100 for forward bias and 3000 for reverse bias, which clearly indicates the ultrahigh sensitivity of the heterostructure photodetector to white light. The responsivity and optical gain are determined to be 607 A W-1 and (1.06-2.16) × 105%, which is higher than previous reports of single GaTe or CdS nanostructures. Combination the Ids-Vds curves under different illumination power with energy band diagrams, we assign that both the light modulation effect under forward and reverse bias and the surface molecular oxygen adsorption/desorption mechanism are dominant to the electrical transport behavior of GaTe/Sn : CdS heterojunction. This heterostructure photodetector also shows good stability and fast response speed. Both the high photosensibility and fast response time described in the present study suggest strongly that the GaTe/Sn : CdS hybrid heterostructure is a promising candidate for photodetection, optical sensing and switching devices.

Characterization of core/shell structures based on CdTe and GaAs nanocrystalline layers deposited on SnO2 microwires

NASA Astrophysics Data System (ADS)

Ghimpu, L.; Ursaki, V. V.; Pantazi, A.; Mesterca, R.; Brâncoveanu, O.; Shree, Sindu; Adelung, R.; Tiginyanu, I. M.; Enachescu, M.

2018-04-01

We report the fabrication and characterization of SnO2/CdTe and SnO2/GaAs core/shell microstructures. CdTe or GaAs shell layers were deposited by radio-frequency (RF) magnetron sputtering on core SnO2 microwires synthesized by a flame-based thermal oxidation method. The produced structures were characterized by scanning electron microscopy (SEM), high-resolution scanning transmission electron microscope (HR-STEM), X-ray diffraction (XRD), Raman scattering and FTIR spectroscopy. It was found that the SnO2 core is of the rutile type, while the shells are composed of CdTe or GaAs nanocrystallites of zincblende structure with the dimensions of crystallites in the range of 10-20 nm. The Raman scattering investigations demonstrated that the quality of the porous nanostructured shell is improved by annealing at temperatures of 420-450 °C. The prospects of implementing these microstructures in intrinsic type fiber optic sensors are discussed.

Highly selective on-off fluorescence recognition of Fe3+ based on a coumarin derivative and its application in live-cell imaging.

PubMed

Warrier, Sona; Kharkar, Prashant S

2018-01-05

A novel coumarin chemosensor, 7-hydroxy-2-oxo-N-(pyridin-2-ylmethyl)chromene-3-carboxamide (Probe 1), demonstrated significant selectivity towards Fe 3+ ions. Probe 1 exhibited high fluorescence emission profile at 447nm, excellent selectivity towards Fe 3+ over other biologically important metal ions (Al 3+ , Ba 2+ , Co 2+ , Cu 2+ , Zn 2+ , Cd 2+ , Hg 2+ , Pb 2+ and Sn 2+ ). Interestingly, there was ~30-fold decrease in fluorescence intensity upon Fe 3+ binding. The limit of detection of Fe 3+ was found to be 0.76μM (~40ppb). Probe 1 also exhibited high potential as an intracellular chemosensor for Fe 3+ . Copyright © 2017 Elsevier B.V. All rights reserved.

Ternary oxide nanostructures and methods of making same

DOEpatents

Wong, Stanislaus S [Stony Brook, NY; Park, Tae-Jin [Port Jefferson, NY

2009-09-08

A single crystalline ternary nanostructure having the formula A.sub.xB.sub.yO.sub.z, wherein x ranges from 0.25 to 24, and y ranges from 1.5 to 40, and wherein A and B are independently selected from the group consisting of Ag, Al, As, Au, B, Ba, Br, Ca, Cd, Ce, Cl, Cm, Co, Cr, Cs, Cu, Dy, Er, Eu, F, Fe, Ga, Gd, Ge, Hf, Ho, I, In, Ir, K, La, Li, Lu, Mg, Mn, Mo, Na, Nb, Nd, Ni, Os, P, Pb, Pd, Pr, Pt, Rb, Re, Rh, Ru, S, Sb, Sc, Se, Si, Sm, Sn, Sr, Ta, Tb, Tc, Te, Ti, Tl, Tm, U, V, W, Y, Yb, and Zn, wherein the nanostructure is at least 95% free of defects and/or dislocations.

Rayleigh analysis of domain dynamics across temperature induced polymorphic phase transitions in lead-free piezoceramics (1‑x)(BaTi0.88Sn0.12)–x(Ba0.7Ca0.3)TiO3

NASA Astrophysics Data System (ADS)

Abebe, Mulualem; Brajesh, Kumar; Singh Malhotra, Jaskaran; Ranjan, Rajeev

2018-05-01

We carried out a Rayleigh analysis of the dielectric permittivity of a lead-free piezoceramic system (1‑x)(BaTi0.88Sn0.12)–x(Ba0.7Ca0.3)TiO3 across the composition and temperature induced polymorphic phase transformations to determine the trend in the reversible and irreversible domain wall motion across the composition and temperature induced structural changes. Experiments were carried out on three representative compositions x  =  0.10, 0.2, and 0.25 exhibiting rhombohedral, orthorhombic, and tetragonal phases at room temperature. While confirming that the irreversible Rayleigh parameter is large in the orthorhombic phase, we discuss a correspondence between the reduction in the coercive field and the corresponding increase in the irreversible Rayleigh parameter. We also show how the proximity of the Curie point to the polymorphic phase boundary greatly undermines this correspondence.

Heterovalent Substitution to Enrich Electrical Conductivity in Cu2CdSn1-xGaxSe4 Series for High Thermoelectric Performances

PubMed Central

Wang, Bo; Li, Yu; Zheng, Jiaxin; Xu, Ming; Liu, Fusheng; Ao, Weiqing; Li, Junqing; Pan, Feng

2015-01-01

Serials of Ga doping on Sn sites as heterovalent substitution in Cu2CdSnSe4 are prepared by the melting method and the spark plasma sintering (SPS) technique to form Cu2CdSn1-xGaxSe4 (x = 0, 0.025, 0.05, 0.075, 0.01, and 0.125). Massive atomic vacancies are found at x = 0.10 by the heterovalent substitution, which contributes significantly to the increase of electrical conductivity and the decrease of lattice thermal conductivity. The electrical conductivity is increased by about ten times at 300 K after Ga doping. Moreover, the seebeck coefficient only decreases slightly from 310 to 226 μV/K at 723 K, and a significant increase of the power factor is obtained. As a result, a maxium value of 0.27 for the figure of merit (ZT) is obtained at x = 0.10 and at 723 K. Through an ab initio study of the Ga doping effect, we find that the Fermi level of Cu2CdSnSe4 is shifted downward to the valence band, thus improving the hole concentration and enhancing the electrical conductivity at low doping levels. Our experimental and theoretical studies show that a moderate Ga doping on Sn sites is an effective method to improve the thermoelectric performance of Cu2CdSnSe4. PMID:25791823

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

Structure and properties of barium tin boro-phosphate glass systems with very low photoelastic constant

NASA Astrophysics Data System (ADS)

Itadani, M.; Tricot, G.; Doumert, B.; Takebe, H.; Saitoh, A.

2017-08-01

Glasses in the BaO-SnO-P2O5-B2O3 system were prepared and evaluated in order to formulate preform glasses suitable for the fabrication of fiber cores with a very low photoelastic constant. A first glass system (I: xBaO-(60-x)SnO-40P2O5) was designed with a constant P2O5 content and various BaO contents (0-40 mol. %). Introduction of 3 mol. % of B2O3 to enhance the glass stability leads to the second glass system (II: x'BaO-(57-x')SnO-40P2O5-3B2O3) with 33-38 mol. % BaO. The structure of both systems was investigated by 1D/2D magic-angle spinning nuclear magnetic resonance, Raman, and Fourier transform infrared spectroscopic techniques. 31P NMR showed the presence of Q2 and Q1 units in the first system and correlation 11B/31P NMR indicated that boron enters into the network as B(OP)4 structural units. The photoelastic constant was determined and the stability of the best formulations as well as their refractive index dispersion was established. The drawing temperature and isothermal heating time (without crystal precipitation) parameters were also accurately measured by using experimental time-temperature-transition. Considering that the refractive indices of the core and the cladding materials must match, detailed core and cladding compositions for a fiber enabling single-mode waveguide transmission were proposed.

Prediction of a mobile two-dimensional electron gas at the LaSc O3 /BaSn O3 (001) interface

NASA Astrophysics Data System (ADS)

Paudel, Tula R.; Tsymbal, Evgeny Y.

2017-12-01

Two-dimensional electron gases (2DEG) at oxide interfaces, such as LaAl O3 /SrTi O3 (001), have aroused significant interest due to their high carrier density (˜1014c m-2 ) and strong lateral confinement (˜1 nm). However, these 2DEGs are normally hosted by the weakly dispersive and degenerate d bands (e.g., Ti -3 d bands), which are strongly coupled to the lattice, causing mobility of such 2DEGs to be relatively low at room temperature (˜1 c m2/Vs ). Here, we propose using oxide host materials with the conduction bands formed from s electrons to increase carrier mobility and soften its temperature dependence. Using first-principles density functional theory calculations, we investigate LaSc O3 /BaSn O3 (001) heterostructure and as a model system, where the conduction band hosts the s -like carriers. We find that the polar discontinuity at this interface leads to electronic reconstruction resulting in the formation of the 2DEG at this interface. The conduction electrons reside in the highly dispersive Sn -5 s bands, which have a large band width and a low effective mass. The predicted 2DEG is expected to be highly mobile even at room temperature due to the reduced electron-phonon scattering via the inter-band scattering channel. A qualitatively similar behavior is predicted for a doped BaSn O3 , where a monolayer of BaO is replaced with LaO. We anticipate that the quantum phenomena associated with these 2DEGs to be more pronounced owing to the high mobility of the carriers.

Adsorption of Cd2+ ions on plant mediated SnO2 nanoparticles

NASA Astrophysics Data System (ADS)

Haq, Sirajul; Rehman, Wajid; Waseem, Muhammad; Shahid, Muhammad; Mahfooz-ur-Rehman; Hussain Shah, Khizar; Nawaz, Mohsan

2016-10-01

Plant mediated SnO2 nanoparticles were synthesized by using SnCl4.5H2O as a precursor material. The nanoparticles were then characterized for BET surface area measurements, energy dispersive x-rays (EDX), scanning electron microscopy (SEM), UV-vis diffuse reflectance (DRS) spectra and x-rays diffraction (XRD) analysis. The successful synthesis of SnO2 nanoparticles was confirmed by EDX analysis. The particle sizes were in the range 19-27 nm whereas the crystallite size computed from XRD measurement was found to be 19.9 nm. Batch adsorption technique was employed for the removal of Cd2+ ions from aqueous solution. The sorption studies of Cd2+ ions were performed at pHs 4 and 6. The equilibrium concentration of Cd2+ ions was determined by atomic absorption spectrometer (flame mode). The uptake of Cd2+ ions was affected by initial concentration, pH and temperature of the electrolytic solution. It was observed that the adsorption of Cd2+ ions enhanced with increase in the initial concentration of Cd2+ ions whereas a decrease in the percent adsorption was detected. From the thermodynamic parameters, the adsorption process was found spontaneous and endothermic in nature. The n values confirmed 2:1 exchange mechanism between surface protons and Cd2+ ions.

Apoptosis of haematopoietic cells upon thymidylate synthase inhibition is independent of p53 accumulation and CD95-CD95 ligand interaction.

PubMed Central

Muñoz-Pinedo, C; Oliver, F J; López-Rivas, A

2001-01-01

Treatment of haematopoietic BA/F3 cells with the thymidylate synthase inhibitor 5-fluoro-2'-deoxyuridine (FUdR) activated apoptosis through a mechanism that required continuous protein synthesis and was inhibited by Bcl-2 over-expression. Analysis of p53 levels in cells treated with FUdR indicated a marked accumulation of this protein. Accumulation of p53 was also observed in cells over-expressing Bcl-2. In BA/F3 cells transfected with a cDNA coding for the human papilloma virus protein E6, p53 accumulation after FUdR treatment was inhibited markedly. However, apoptosis was induced in both control and E6 cells to a similar extent. The role of the CD95/CD95 ligand (CD95L) system in FUdR-induced apoptosis was also assessed. As determined by reverse transcriptase PCR, BA/F3 expressed a low constitutive level of CD95L mRNA, which decreased following FUdR treatment. Moreover, blocking CD95-CD95L interactions with antagonistic CD95 monoclonal antibody did not prevent drug-induced apoptosis. Furthermore, analysis of caspase involvement showed important differences in apoptosis induced by CD95-triggering or FUdR treatment. In summary, these results suggest that apoptosis induced by thymineless stress in haematopoietic BA/F3 cells occurs by a mechanism that does not require accumulation of p53 and which is independent of CD95-CD95L interactions. PMID:11115403

Kinetics of photo-activated charge carriers in Sn:CdS

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

Patidar, Manju Mishra, E-mail: manjumishra.iuc@gmail.com; Gorli, V. R.; Gangrade, Mohan

2016-05-23

Kinetics of the photo-activated charge carriers has been investigated in Tin substituted Cadmium Sulphide, Cd{sub 1-x}Sn{sub x}S (x=0, 0.05, 0.10 and 0.15), thin films prepared by spray pyrolysis. X-Ray Diffraction shows an increase in strain that resulted in the decreased crystallite size upon Sn substitution. At the first sight, the photo current characteristics show a quenching effect on Sn substitution. However, survival of persistent photocurrents is seen even up to 15% of Sn substitution. Transient photo current decay could be explained with a 2τ relaxation model. CdS normally has an n-type character and the Sn doping expected to inject holemore » carriers. The two fold increase in τ{sub 1}, increase in activation energy and the decrease in photocurrents upon Sn substitution point towards a band gap cleaning scenario that include compensation and associated carrier injection dynamics. In addition Atomic Force Microscopy shows a drastic change in microstructure that modulates the carrier dynamics as a whole.« less

Alkaline earth metal doped tin oxide as a novel oxygen storage material

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

Dong, Qiang, E-mail: dong@tagen.tohoku.ac.jp; Yin, Shu; Yoshida, Mizuki

2015-09-15

Alkaline earth metal doped tin oxide (SnO{sub 2}) hollow nanospheres with a diameter of 50 nm have been synthesized successfully via a facial solvothermal route in a very simple system composed of only ethanol, acetic acid, SnCl{sub 4}·5H{sub 2}O and A(NO{sub 3}){sub 2}·xH{sub 2}O (A = Mg, Ca, Sr, Ba). The synthesized undoped SnO{sub 2} and A-doped SnO{sub 2} hollow nanospheres were characterized by the oxygen storage capacity (OSC), X-ray diffraction, transmission electron microscopy and the Brunauer–Emmet–Teller (BET) technique. The OSC values of all samples were measured using thermogravimetric-differential thermal analysis. The incorporation of alkaline earth metal ion into tinmore » oxide greatly enhanced the thermal stability and OSC. Especially, Ba-doped SnO{sub 2} hollow nanospheres calcined at 1000 °C for 20 h with a BET surface area of 61 m{sup 2} g{sup −1} exhibited the considerably high OSC of 457 μmol-O g{sup −1} and good thermal stability. Alkaline earth metal doped tin oxide has the potential to be a novel oxygen storage material.« less

Geosphere-biosphere circulation of chemical elements in soil and plant systems from a 100 km transect from southern central Norway.

PubMed

Reimann, Clemens; Fabian, Karl; Flem, Belinda; Andersson, Malin; Filzmoser, Peter; Englmaier, Peter

2018-05-17

Geochemical element separation is studied in 14 different sample media collected at 41 sites along an approximately 100-km long transect north of Oslo. At each site, soil C and O horizons and 12 plant materials (birch/spruce/cowberry/blueberry leaves/needles and twigs, horsetail, braken fern, pine bark and terrestrial moss) were sampled. The observed concentrations of 29 elements (K, Ca, P, Mg, Mn, S, Fe, Zn, Na, B, Cu, Mo, Co, Al, Ba, Rb, Sr, Ti, Ni, Pb, Cs, Cd, Ce, Sn, La, Tl, Y, Hg, Ag) were used to investigate soil-plant relations, and to evaluate the element differentiation between different plants, or between foliage and twigs of the same plant. In relation to the soil C horizon, the O horizon is strongly enriched (O/C ratio > 5) in Ag, Hg, Cd, Sn, S and Pb. Other elements (B, K, Ca, P, S, Mn) show higher concentrations in the plants than in the substrate represented by the C horizon, and often even higher concentrations than in the soil O horizon. Elements like B, K, Ca, S, Mg, P, Ba, and Cu are well tuned to certain concentration levels in most of the plants. This is demonstrated by their lower interquartile variability in the plants than in the soil. Cross-plots of element concentration, variance, and ratios, supported by linear discrimination analysis, establish that different plants are marked by their individual element composition, which is separable from, and largely independent of the natural substrate variability across the Gjøvik transect. Element allocation to foliage or twigs of the same plants can also be separated and thus dominantly depend on metabolism, physiology, and structure linked to biological functions, and only to a lesser degree on the substrate and environmental background. The results underline the importance of understanding the biological mechanisms of plant-soil interaction in order to correctly quantify anthropogenic impact on soil and plant geochemistry. Copyright © 2018 Elsevier B.V. All rights reserved.

Volatilization, transport and sublimation of metallic and non-metallic elements in high temperature gases at Merapi Volcano, Indonesia

USGS Publications Warehouse

Symonds, R.B.; Rose, William I.; Reed, M.H.; Lichte, F.E.; Finnegan, David L.

1987-01-01

Condensates, silica tube sublimates and incrustations were sampled from 500-800??C fumaroles and lava samples were collected at Merapi Volcano, Indonesia in Jan.-Feb., 1984. With respect to the magma, Merapi gases are enriched by factors greater than 105 in Se, Re, Bi and Cd; 104-105 in Au, Br, In, Pb and W; 103-104 in Mo, Cl, Cs, S, Sn and Ag; 102-103 in As, Zn, F and Rb; and 1-102 in Cu, K, Na, Sb, Ni, Ga, V, Fe, Mn and Li. The fumaroles are transporting more than 106 grams/day ( g d) of S, Cl and F; 104-106 g/d of Al, Br, Zn, Fe, K and Mg; 103-104 g d of Pb, As, Mo, Mn, V, W and Sr; and less than 103 g d of Ni, Cu, Cr, Ga, Sb, Bi, Cd, Li, Co and U. With decreasing temperature (800-500??C) there were five sublimate zones found in silica tubes: 1) cristobalite and magnetite (first deposition of Si, Fe and Al); 2) K-Ca sulfate, acmite, halite, sylvite and pyrite (maximum deposition of Cl, Na, K, Si, S, Fe, Mo, Br, Al, Rb, Cs, Mn, W, P, Ca, Re, Ag, Au and Co); 3) aphthitalite (K-Na sulfate), sphalerite, galena and Cs-K. sulfate (maximum deposition of Zn, Bi, Cd, Se and In; higher deposition of Pb and Sn); 4) Pb-K chloride and Na-K-Fe sulfate (maximum deposition of Pb, Sn and Cu); and 5) Zn, Cu and K-Pb sulfates (maximum deposition of Pb, Sn, Ti, As and Sb). The incrustations surrounding the fumaroles are also chemically zoned. Bi, Cd, Pb, W, Mo, Zn, Cu, K, Na, V, Fe and Mn are concentrated most in or very close to the vent as expected with cooling, atmospheric contamination and dispersion. The highly volatile elements Br, Cl, As and Sb are transported primarily away from high temperature vents. Ba, Si, P, Al, Ca and Cr are derived from wall rock reactions. Incomplete degassing of shallow magma at 915??C is the origin of most of the elements in the Merapi volcanic gas, although it is partly contaminated by particles or wall rock reactions. The metals are transported predominantly as chloride species. As the gas cools in the fumarolic environment, it becomes saturated with sublimate phases that fractionate from the gas in the order of their equilibrium saturation temperatures. Devolatilization of a cooling batholith could transport enough acids and metals to a hydrothermal system to play a significant role in forming an ore deposit. However, sublimation from a high temperature, high velocity carrier gas is not efficient enough to form a large ore deposit. Re, Se, Cd and Bi could be used as supporting evidence for magmatic fluid transport in an ore deposit. ?? 1987.

Flux Pinning Enhancement in YBa2Cu3O7-x Films for Coated Conductor Applications (Postprint)

DTIC Science & Technology

2012-02-01

the nanocolumns with a certain constant diameter. Since BSO and YBCO are both perovskites, they tend to grow along the c - axis perpendicular to LAO ...20 0 20 40 60 80 100 YBCO+BaSnO 3 / LAO YBCO/MS-6 YBCO+BaSnO 3 /MS-6 J c /J c( h // a b ) Angle (Degs) H//C H//ab Figure 5.18 Transport current...density data of YBCO+BSO fi lm on a LaAlO 3 and a buffered metallic substrate as compared to YBCO fi lm on a metallic substrate. ( LAO = LaAlO 3 , MS

Flux Pinning Enhancement in YBa2Cu3O7-x Films with BaSnO3 Nanoparticles

DTIC Science & Technology

2008-10-01

SUPERCONDUCTOR SCIENCE AND TECHNOLOGY Supercond. Sci. Technol. 19 (2006) L37 –L41 doi:10.1088/0953-2048/19/10/L01 RAPID COMMUNICATION Flux pinning enhancement in...2006 Online at stacks.iop.org/SUST/19/ L37 Abstract Nanoparticles of BaSnO3 were incorporated into YBa2Cu3O7−x (YBCO) films on LaAlO3 substrates for...0953-2048/06/100037+05$30.00 © 2006 IOP Publishing Ltd Printed in the UK L37 1 Rapid Communication materials and sintered together to form a composite

Using a double-doping strategy to improve physical properties of nanostructured CdO films

NASA Astrophysics Data System (ADS)

Aydin, R.; Sahin, B.

2018-06-01

In this present study nanostructured dually doped samples of Cd1‑x‑yMgxMyO (M: Sn, Pb, Bi) are synthesized by SILAR method. The effects of the mono and dual doping on the structural, morphological and optoelectronic characteristics of CdO nanoparticles are examined. The SEM images verify that deposited CdO films are nano-sized. Also the SEM computations demonstrated that the morphological surface structures of the films were influenced from the Mg mono doping and (Mg, Sn), (Mg, Pb) and (Mg, Bi) dual doping. The XRD designs specified that all the CdO samples have polycrystalline structure exhibiting cubic crystal form with dominant peaks of (111) and (220). The results display that Mg and (Mg, Sn), (Mg, Pb) and (Mg, Bi) ions were successfully doped into CdO film matrix. The UV spectroscopy results show that the optical energy band gap of the CdO films, ranging from 2.21 to 2.66 eV, altered with the dopant materials.

BA71ΔCD2: a New Recombinant Live Attenuated African Swine Fever Virus with Cross-Protective Capabilities.

PubMed

Monteagudo, Paula L; Lacasta, Anna; López, Elisabeth; Bosch, Laia; Collado, Javier; Pina-Pedrero, Sonia; Correa-Fiz, Florencia; Accensi, Francesc; Navas, María Jesús; Vidal, Enric; Bustos, María J; Rodríguez, Javier M; Gallei, Andreas; Nikolin, Veljko; Salas, María L; Rodríguez, Fernando

2017-11-01

African swine fever is a highly contagious viral disease of mandatory declaration to the World Organization for Animal Health (OIE). The lack of available vaccines makes its control difficult; thus, African swine fever virus (ASFV) represents a major threat to the swine industry. Inactivated vaccines do not confer solid protection against ASFV. Conversely, live attenuated viruses (LAV), either naturally isolated or obtained by genetic manipulation, have demonstrated reliable protection against homologous ASFV strains, although little or no protection has been demonstrated against heterologous viruses. Safety concerns are a major issue for the use of ASFV attenuated vaccine candidates and have hampered their implementation in the field so far. While trying to develop safer and efficient ASFV vaccines, we found that the deletion of the viral CD2v (EP402R) gene highly attenuated the virulent BA71 strain in vivo Inoculation of pigs with the deletion mutant virus BA71ΔCD2 conferred protection not only against lethal challenge with the parental BA71 but also against the heterologous E75 (both genotype I strains). The protection induced was dose dependent, and the cross-protection observed in vivo correlated with the ability of BA71ΔCD2 to induce specific CD8 + T cells capable of recognizing both BA71 and E75 viruses in vitro Interestingly, 100% of the pigs immunized with BA71ΔCD2 also survived lethal challenge with Georgia 2007/1, the genotype II strain of ASFV currently circulating in continental Europe. These results open new avenues to design ASFV cross-protective vaccines, essential to fight ASFV in areas where the virus is endemic and where multiple viruses are circulating. IMPORTANCE African swine fever virus (ASFV) remains enzootic in most countries of Sub-Saharan Africa, today representing a major threat for the development of their swine industry. The uncontrolled presence of ASFV has favored its periodic exportation to other countries, the last event being in Georgia in 2007. Since then, ASFV has spread toward neighboring countries, reaching the European Union's east border in 2014. The lack of available vaccines against ASFV makes its control difficult; so far, only live attenuated viruses have demonstrated solid protection against homologous experimental challenges, but they have failed at inducing solid cross-protective immunity against heterologous viruses. Here we describe a new LAV candidate with unique cross-protective abilities: BA71ΔCD2. Inoculation of BA71ΔCD2 protected pigs not only against experimental challenge with BA71, the virulent parental strain, but also against heterologous viruses, including Georgia 2007/1, the genotype II strain of ASFV currently circulating in Eastern Europe. Copyright © 2017 Monteagudo et al.

BA71ΔCD2: a New Recombinant Live Attenuated African Swine Fever Virus with Cross-Protective Capabilities

PubMed Central

Monteagudo, Paula L.; Lacasta, Anna; López, Elisabeth; Bosch, Laia; Collado, Javier; Pina-Pedrero, Sonia; Correa-Fiz, Florencia; Accensi, Francesc; Navas, María Jesús; Vidal, Enric; Bustos, María J.; Rodríguez, Javier M.; Gallei, Andreas; Nikolin, Veljko; Salas, María L.

2017-01-01

ABSTRACT African swine fever is a highly contagious viral disease of mandatory declaration to the World Organization for Animal Health (OIE). The lack of available vaccines makes its control difficult; thus, African swine fever virus (ASFV) represents a major threat to the swine industry. Inactivated vaccines do not confer solid protection against ASFV. Conversely, live attenuated viruses (LAV), either naturally isolated or obtained by genetic manipulation, have demonstrated reliable protection against homologous ASFV strains, although little or no protection has been demonstrated against heterologous viruses. Safety concerns are a major issue for the use of ASFV attenuated vaccine candidates and have hampered their implementation in the field so far. While trying to develop safer and efficient ASFV vaccines, we found that the deletion of the viral CD2v (EP402R) gene highly attenuated the virulent BA71 strain in vivo. Inoculation of pigs with the deletion mutant virus BA71ΔCD2 conferred protection not only against lethal challenge with the parental BA71 but also against the heterologous E75 (both genotype I strains). The protection induced was dose dependent, and the cross-protection observed in vivo correlated with the ability of BA71ΔCD2 to induce specific CD8+ T cells capable of recognizing both BA71 and E75 viruses in vitro. Interestingly, 100% of the pigs immunized with BA71ΔCD2 also survived lethal challenge with Georgia 2007/1, the genotype II strain of ASFV currently circulating in continental Europe. These results open new avenues to design ASFV cross-protective vaccines, essential to fight ASFV in areas where the virus is endemic and where multiple viruses are circulating. IMPORTANCE African swine fever virus (ASFV) remains enzootic in most countries of Sub-Saharan Africa, today representing a major threat for the development of their swine industry. The uncontrolled presence of ASFV has favored its periodic exportation to other countries, the last event being in Georgia in 2007. Since then, ASFV has spread toward neighboring countries, reaching the European Union's east border in 2014. The lack of available vaccines against ASFV makes its control difficult; so far, only live attenuated viruses have demonstrated solid protection against homologous experimental challenges, but they have failed at inducing solid cross-protective immunity against heterologous viruses. Here we describe a new LAV candidate with unique cross-protective abilities: BA71ΔCD2. Inoculation of BA71ΔCD2 protected pigs not only against experimental challenge with BA71, the virulent parental strain, but also against heterologous viruses, including Georgia 2007/1, the genotype II strain of ASFV currently circulating in Eastern Europe. PMID:28814514

Age-specific inhalation radiation dose commitment factors for selected radionuclides

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

Strenge, D.L.; Peloquin, R.A.; Baker, D.A.

Inhalation dose commitment factors are presented for selected radionuclides for exposure of individuals in four age groups: infant, child, teen and adult. Radionuclides considered are /sup 35/S, /sup 36/Cl, /sup 45/Ca, /sup 67/Ga, /sup 75/Se, /sup 85/Sr, /sup 109/Cd, /sup 113/Sn, /sup 125/I, /sup 133/Ba, /sup 170/Tm, /sup 169/Yb, /sup 182/Ta, /sup 192/Ir, /sup 198/Au, /sup 201/Tl, /sup 204/Tl, and /sup 236/Pu. The calculational method is based on the human metabolic model of ICRP as defined in Publication 2 (ICRP 1959) and as used in previous age-specific dose factor calculations by Hoenes and Soldat (1977). Dose commitment factors are presentedmore » for the following organs of reference: total body, bone, liver, kidney, thyroid, lung and lower large intestine.« less

Bioaccessibility assessment of toxic and essential elements in produced pulses, Bahia, Brazil.

PubMed

Santos, Wagna Piler Carvalho; Ribeiro, Nubia Moura; Santos, Daniele Cristina Muniz Batista; Korn, Maria Graças Andrade; Lopes, Mariângela Vieira

2018-02-01

The objective of this study was to analyze the effect of heat treatment on the bioaccessibility of major (K, Ca, Mg, P) and trace elements (As, Ba, Cu, Fe, Mn, Cd, Cr, Hg, Mo, Ni, Pb, Se, Sb, Sn, and Zn) in three different pulse species: Vigna unguiculata L. Walp (cowpea beans), Cajanus cajan L. (pigeon pea) and Lablab purpureus L. Sweet (mangalo). Analyte concentrations were determined in the samples by inductively coupled plasma mass spectrometry and inductively coupled plasma optical emission spectrometry. The results showed that thermal processing can affect the concentrations of the elements investigated in pulse samples. The influence of the heat treatment can range between legume species and chemical elements, as well as with the type of heat treatment, dry, wet, conductive heating and using microwaves. Copyright © 2017 Elsevier Ltd. All rights reserved.

Anode materials for lithium ion batteries

DOEpatents

Abouimrane, Ali; Amine, Khalil

2015-06-09

A composite material has general Formula (1-x)J-(x)Q wherein: J is a metal carbon alloy of formula Sn.sub.zSi.sub.z'Met.sub.wMet'.sub.w'C.sub.t; Q is a metal oxide of formula A.sub..gamma.M.sub..alpha.M'.sub..alpha.'O.sub..beta.; A is Li, Na, or K; M, M', Met, and Met' are individually Ge, Mo, Al, Ga, As, Sb, Te, Ti, Ta, Zr, Ca, Mg, Sr, Ba, Li, Na, K, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Nb, Rt, Ru or Cd; 0

Observation of New Neutron-rich Isotopes among Fission Fragments from In-flight Fission of 345 MeV/nucleon 238U: Search for New Isotopes Conducted Concurrently with Decay Measurement Campaigns

NASA Astrophysics Data System (ADS)

Shimizu, Yohei; Kubo, Toshiyuki; Fukuda, Naoki; Inabe, Naohito; Kameda, Daisuke; Sato, Hiromi; Suzuki, Hiroshi; Takeda, Hiroyuki; Yoshida, Koichi; Lorusso, Giuseppe; Watanabe, Hiroshi; Simpson, Gary S.; Jungclaus, Andrea; Baba, Hidetada; Browne, Frank; Doornenbal, Pieter; Gey, Guillaunme; Isobe, Tadaaki; Li, Zhihuan; Nishimura, Shunji; Söderström, Pär-Anders; Sumikama, Toshiyuki; Taprogge, Jan; Vajta, Zsolt; Wu, Jin; Xu, Zhengyu; Odahara, Atsuko; Yagi, Ayumi; Nishibata, Hiroki; Lozeva, Radomira; Moon, Changbum; Jung, HyoSoon

2018-01-01

The search for new isotopes using the in-flight fission of a 238U beam has been conducted concurrently with decay measurements, during the so-called EURICA campaigns, at the RIKEN Nishina Center RI Beam Factory. Fission fragments were analyzed and identified in flight using the BigRIPS separator. We have identified the following 36 new neutron-rich isotopes: 104Rb, 113Zr, 116Nb, 118,119Mo, 121,122Tc, 125Ru, 127,128Rh, 129,130,131Pd, 132Ag, 134Cd, 136,137In, 139,140Sn, 141,142Sb, 144,145Te, 146,147I, 149,150Xe, 149,150,151Cs, 153,154Ba, and 154,155,156,157La.

Solvo-thermal synthesis of a unique alkaline earth-transition Ba-Cd micro-porous coordination framework as hetero-metallic luminescent sensor for Cu2+ and real-time detection of benzaldehyde

NASA Astrophysics Data System (ADS)

Ding, Bin; Ma, Dian Xue; Zhang, Hui Min; Meng, Xin; Qiu, Rong Rong; Ren, Rong; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Liu, Yuan Yuan; Shi, Xue Fang

2018-06-01

In this work a unique hetero-metallic alkaline earth-transition Ba-Cd luminescent micro-porous metal-organic framework {[BaCd(μ6-tp)1.5(μ2-Cl)(H2O) (DMF)2]·0.75H2O}n (H2tp = terephthalic acid) (1) has been prepared under solvo-thermal conditions. In 1 infinite 1D {Ba-X-Cd} (X = O, Cl) inorganic chains are linked via these full de-pronated tp2- ligands forming a unique 3D I1O2 type micro-porous coordination framework. PXRD patterns of 1 have been determined confirming pure phases of 1. Luminescence investigations suggested that 1 exhibits highly selective and sensitive sensing for trace amounts of benzaldehyde in ethanol, which provides a facile method for real-time detection of benzaldehyde. Meanwhile 1 also exhibits highly selective and sensitive sensing for Cu2+ over other cations with high quenching efficiency Ksv value 1.15 × 104 L·mol-1. As far as we know, 1 represents the first example of alkaline earth-transition hetero-metallic Ba-Cd micro-porous coordination framework as bi-functional luminescent probes for Cu2+ and benzaldehyde.

Solvo-thermal synthesis of a unique alkaline earth-transition Ba-Cd micro-porous coordination framework as hetero-metallic luminescent sensor for Cu2+ and real-time detection of benzaldehyde.

PubMed

Ding, Bin; Ma, Dian Xue; Zhang, Hui Min; Meng, Xin; Qiu, Rong Rong; Ren, Rong; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Liu, Yuan Yuan; Shi, Xue Fang

2018-06-15

In this work a unique hetero-metallic alkaline earth-transition Ba-Cd luminescent micro-porous metal-organic framework {[BaCd(μ 6 -tp) 1.5 (μ 2 -Cl)(H 2 O) (DMF) 2 ]·0.75H 2 O} n (H 2 tp=terephthalic acid) (1) has been prepared under solvo-thermal conditions. In 1 infinite 1D {Ba-X-Cd} (X=O, Cl) inorganic chains are linked via these full de-pronated tp 2- ligands forming a unique 3D I 1 O 2 type micro-porous coordination framework. PXRD patterns of 1 have been determined confirming pure phases of 1. Luminescence investigations suggested that 1 exhibits highly selective and sensitive sensing for trace amounts of benzaldehyde in ethanol, which provides a facile method for real-time detection of benzaldehyde. Meanwhile 1 also exhibits highly selective and sensitive sensing for Cu 2+ over other cations with high quenching efficiency K sv value 1.15×10 4 L·mol -1 . As far as we know, 1 represents the first example of alkaline earth-transition hetero-metallic Ba-Cd micro-porous coordination framework as bi-functional luminescent probes for Cu 2+ and benzaldehyde. Copyright © 2018 Elsevier B.V. All rights reserved.

Metals detected by ICP/MS in wound tissue of war injuries without fragments in Gaza

PubMed Central

2010-01-01

Background The amount and identity of metals incorporated into "weapons without fragments" remain undisclosed to health personnel. This poses a long-term risk of assumption and contributes to additional hazards for victims because of increased difficulties with clinical management. We assessed if there was evidence that metals are embedded in "wounds without fragments" of victims of the Israeli military operations in Gaza in 2006 and 2009. Methods Biopsies of "wounds without fragments" from clinically classified injuries, amputation (A), charred (C), burns (B), multiple piercing wounds by White Phosphorus (WP) (M), were analyzed by ICP/MS for content in 32 metals. Results Toxic and carcinogenic metals were detected in folds over control tissues in wound tissues from all injuries: in A and C wounds (Al, Ti, Cu, Sr, Ba, Co, Hg, V, Cs and Sn), in M wounds (Al, Ti, Cu, Sr, Ba, Co and Hg) and in B wounds (Co, Hg, Cs, and Sn); Pb and U in wounds of all classes; B, As, Mn, Rb, Cd, Cr, Zn in wounds of all classes, but M; Ni was in wounds of class A. Kind and amounts of metals correlate with clinical classification of injuries, exposing a specific metal signature, similar for 2006 and 2009 samples. Conclusions The presence of toxic and carcinogenic metals in wound tissue is indicative of the presence in weapon inducing the injury. Metal contamination of wounds carries unknown long term risks for survivors, and can imply effects on populations from environmental contamination. We discuss remediation strategies, and believe that these data suggest the need for epidemiological and environmental surveys. PMID:20579349

New insights into organic-inorganic hybrid perovskite CH₃NH₃PbI₃ nanoparticles. An experimental and theoretical study of doping in Pb²⁺ sites with Sn²⁺, Sr²⁺, Cd²⁺ and Ca²⁺.

PubMed

Navas, Javier; Sánchez-Coronilla, Antonio; Gallardo, Juan Jesús; Hernández, Norge Cruz; Piñero, Jose Carlos; Alcántara, Rodrigo; Fernández-Lorenzo, Concha; De los Santos, Desireé M; Aguilar, Teresa; Martín-Calleja, Joaquín

2015-04-14

This paper presents the synthesis of the organic-inorganic hybrid perovskite, CH3NH3PbI3, doped in the Pb(2+) position with Sn(2+), Sr(2+), Cd(2+) and Ca(2+). The incorporation of the dopants into the crystalline structure was analysed, observing how the characteristics of the dopant affected properties such as the crystalline phase, emission and optical properties. XRD showed how doping with Sn(2+), Sr(2+) and Cd(2+) did not modify the normal tetragonal phase. When doping with Ca(2+), the cubic phase was obtained. Moreover, DR-UV-Vis spectroscopy showed how the band gap decreased with the dopants, the values following the trend Sr(2+) < Cd(2+) < Ca(2+) < CH3NH3PbI3 ≈ Sn(2+). The biggest decrease was generated by Sr(2+), which reduced the CH3NH3PbI3 value by 4.5%. In turn, cathodoluminescence (CL) measurements confirmed the band gap obtained. Periodic-DFT calculations were performed to understand the experimental structures. The DOS analysis confirmed the experimental results obtained using UV-Vis spectroscopy, with the values calculated following the trend Sn(2+) ≈ Pb(2+) > Cd(2+) > Sr(2+) for the tetragonal structure and Pb(2+) > Ca(2+) for the cubic phase. The electron localization function (ELF) analysis showed similar electron localizations for undoped and Sn(2+)-doped tetragonal structures, which were different from those doped with Sr(2+) and Cd(2+). Furthermore, when Cd(2+) was incorporated, the Cd-I interaction was strengthened. For Ca(2+) doping, the Ca-I interaction had a greater ionic nature than Cd-I. Finally, an analysis based on the non-covalent interaction (NCI) index is presented to determine the weak-type interactions of the CH3NH3 groups with the dopant and I atoms. To our knowledge, this kind of analysis with these hybrid systems has not been performed previously.

Superconductivity at different T{sub c} in CdBa{sub 2}Ca{sub 2}Cu{sub 3}O{sub y}

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

Balchev, N.; Lovchinov, V.; Gattef, E.

1995-06-01

A Cd analogue of the Tl and Hg n=3 series with nominal composition CdBa{sub 2}Ca{sub 2}Cu{sub 3}O{sub y} has been synthesized. The samples were superconducting according to magnetic susceptibility measurements. The critical temperature was 103 or 107 K depending on the preparation conditions. The EDX analysis revealed the presence of Cd-1111, Cd-1121, and Cd-2333 as minor phases. The observed diamagnetic effects were attributed to the different T{sub c} of these phases.

SnS2 films deposited from molecular ink as Cd-free alternative buffer layer for solar cells

NASA Astrophysics Data System (ADS)

Jariwala, Akshay; Chaudhuri, Tapas K.; Toshniwal, Aditi; Patel, Sanjay; Kheraj, Vipul; Ray, Abhijit

2018-05-01

This work investigates the potential of SnS2 as a Cd-free alternative buffer layer for CIGS solar cells. The suitability of SnS2 film as a buffer layer has been evaluated by numerical analysis using SCAPS software. A new simple method for preparation of SnS2 films by dip-coating from molecular ink is reported. The formation of SnS2 is confirmed by Raman spectroscopy. The films are smooth and shiny with roughness of 2-3 nm. The films are n-type with band gap of 2.6 eV and electrical conductivity of 10-3 S/cm.

Geochemical gradients in soil O-horizon samples from southern Norway: Natural or anthropogenic?

USGS Publications Warehouse

Reimann, C.; Englmaier, P.; Flem, B.; Gough, L.; Lamothe, P.; Nordgulen, O.; Smith, D.

2009-01-01

Forty soil O- and C-horizon samples were collected along a south-to-north transect extending inland for approximately 200 km from the southern tip of Norway. The elements As, Au, Bi, Cd, Cu, Ga, Ge, Hf, Hg, In, Mg, Mn, Mo, Na, Ni, Pb, Sb, Se, V, W, Zn and Zr all show a distinct decrease in concentration in soil O-horizons with increasing distance from the coast. The elements showing the strongest coastal enrichment, some by more than an order of magnitude compared to inland samples, are Au, Bi, As, Pb, Sb and Sn. Furthermore, the elements Cd (median O-/median C-horizon = 31), C, Sb, Ag, K, S, Ge (10), Hg, Pb, As, Bi, Sr (5), Se, Au, Ba, Na, Zn, P, Cu and Sn (2) are all strongly enriched in the O-horizon when compared to the underlying C-horizon. Lead isotope ratios, however, do not show any gradient with distance from the coast (declining Pb concentration). Along a 50 km topographically steep east-west transect in the centre of the survey area, far from the coast but crossing several vegetation zones, similar element enrichment patterns and concentration gradients can be observed in the O-horizon. Lead isotope ratios in the O-horizon correlate along both transects with pH and the C/N-ratio, both proxies for the quality of the organic material. Natural conditions in southern Norway, related to climate and vegetation, rather than long range atmospheric transport of air pollutants (LRT), cause the observed features. ?? 2008 Elsevier Ltd.

Evolution of ground-state wave function in CeCoIn 5 upon Cd or Sn doping

DOE PAGES

Chen, K.; Strigari, F.; Sundermann, M.; ...

2018-01-17

We present linear polarization-dependent soft-x-ray absorption spectroscopy data at the Ce M 4,5 edges of Cd- and Sn-doped CeCoIn 5. The 4f ground-state wave functions have been determined for their superconducting, antiferromagnetic, and paramagnetic ground states. The absence of changes in the wave functions in CeCo (In 1- xCd x) 5 suggests that the 4f-conduction-electron (c f) hybridization is not affected by global Cd doping, thus supporting the interpretation of magnetic droplets nucleating long-range magnetic order. This is contrasted by changes in the wave function due to Sn substitution. Increasing Sn in CeCo (In 1 - ySn y) 5 compressesmore » the 4f orbitals into the tetragonal plane of these materials, suggesting enhanced c f hybridization with the in-plane In(1) atoms and a homogeneous altering of the electronic structure. As these experiments show, the 4 f wave functions are a very sensitive probe of small changes in the hybridization of 4f and conduction electrons, even conveying information about direction dependencies.« less

Evolution of ground-state wave function in CeCoIn 5 upon Cd or Sn doping

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

Chen, K.; Strigari, F.; Sundermann, M.

We present linear polarization-dependent soft-x-ray absorption spectroscopy data at the Ce M 4,5 edges of Cd- and Sn-doped CeCoIn 5. The 4f ground-state wave functions have been determined for their superconducting, antiferromagnetic, and paramagnetic ground states. The absence of changes in the wave functions in CeCo (In 1- xCd x) 5 suggests that the 4f-conduction-electron (c f) hybridization is not affected by global Cd doping, thus supporting the interpretation of magnetic droplets nucleating long-range magnetic order. This is contrasted by changes in the wave function due to Sn substitution. Increasing Sn in CeCo (In 1 - ySn y) 5 compressesmore » the 4f orbitals into the tetragonal plane of these materials, suggesting enhanced c f hybridization with the in-plane In(1) atoms and a homogeneous altering of the electronic structure. As these experiments show, the 4 f wave functions are a very sensitive probe of small changes in the hybridization of 4f and conduction electrons, even conveying information about direction dependencies.« less

The effect of plant growth-promoting rhizobacteria on the phytoextraction of Cd and Zn by Brassica napus L.

PubMed

Dąbrowska, G; Hrynkiewicz, K; Trejgell, A; Baum, C

2017-07-03

The test strains Bacteroidetes bacterium (Ba), Pseudomonas fluorescens (Pf) and Variovorax sp. (Va) were selected in advance for their in vitro capability for growth promotion of rapeseed in the presence of increased concentrations of Cd, Cu, Pb and Zn in the medium. In the pot experiment, the strains were used for single Ba, Pf, Va or combined Ba + Pf, Ba + Va, Pf + Va, and Ba + Pf + Va inoculation of B. napus growing in contaminated soil from alluvial deposits. The positive effect of bacterial strains on plant growth was observed in vitro, but was not confirmed in situ in the contaminated soil, where the tested strains inhibited biomass production, rather than stimulating it. However, single inoculation with Ba significantly increased the chlorophyll content and K + concentration in the leaves. The inoculation of rapeseed with Ba and Va strains was indicated to be the most promising combination for phytoextraction of Cd and Zn from contaminated soil. Combined inoculation with Pf+Va and Pf + Ba+Va significantly decreased the concentration of heavy metals in the roots of rapeseed. We conclude that suitable combinations of PGPR can control the metal uptake of B. napus, selectively increasing either metal extraction or metal stabilization in the rhizosphere and offering promising applications in soil remediation.

[Immunological balance of CD8+CD28+/CD8+CD28- T lymphocytes can predict gastrointestinal hemorrhage in patients with inflammatory bowel disease].

PubMed

Dai, Shi-Xue; Gu, Hong-Xiang; Wu, Gang; Zhong, Tao; Jian, Hong-Jian; Zhan, Yong-le; Zhang, Min-Hai; Gao, Yong; Xu, Jun; Chen, Dong-Sheng; Liao, Guang-Jie; Feng, Yan-Ling; Liu, Hong-Bo; Zou, Ying; Chi, Hong-Gang

2016-12-20

To evaluate the sensitivity and specificity of CD8 + CD28 + /CD8 + CD28 - T lymphocyte balance in predicting the gastrointestinal hemorrhage (GH) in patients with inflammatory bowel disease (IBD). Forty-nine IBD patients, including 30 with ulcerous colitis (UC) and 19 with Crohn's disease (CD), were enrolled to test peripheral blood CD8 + CD28 + and CD8 + CD28 - T cells using flow cytometry. All the patients were followed up for one year. The receiver-operating characteristic (ROC) curves were used to test the efficiency of CD8 + CD28 + /CD8 + CD28 - T lymphocyte balance to predict GH. The differences in lasting time of remission (LTR) under different factors were compared using Kaplan-Meier survival analysis, and the correlation between CD8 + T lymphocytes and the factors were analyzed. The utilization rates of immunosuppressant, steroids, and biological agent (BA) were significantly higher in CD patients than in UC patients (P=0.003, 0.043 and 0.002, respectively). The frequencies of CD8 + CD28 + T cells were obviously higher in UC patients than those in CD patients (t=3.022, P=0.004). CD8 + CD28 + T cells, CD8 + CD28 - T cells, and especially CD8 + CD28 + /CD8 + CD28 - ratio (area under curve of 0.977, P=0.000; cut-off value of 1.14 [13.95%/12.24%] with a sensitivity of 93.3% and a specificity of 91.2%) showed good efficiencies in predicting GH (P<0.01). The mean and median of LTR of IBD patients who did not receive BA or surgical treatment were significantly longer (Χ 2 =9.730, P=0.002; Χ 2 =15.981, P=0.000). CD8 + CD28 + /CD8 + CD28 - ratio was significantly related to both BA (P=0.009) and surgery (P=0.038). Both decreased CD8 + CD28 + T cells and elevated CD8 + CD28 - T cells are closely correlated with GH, and their ratio can predict the occurrence of GH with a high sensitivity and specificity and is correlated with BA and surgery at the cut-off value of 1.14.

[Characterization of structural change of ascorbate peroxidase from Chinese kale during denaturation by circular dichroism].

PubMed

Xi, Jia-Fu; Tang, Lei; Zhang, Jian-Hua; Zhang, Hong-Jian; Chen, Xu-Sheng; Mao, Zhong-Gui

2014-11-01

Circular dichroism (CD) is a special absorption spectrum. The secondary structure of protein such as α-helix, β-sheet and β-turn in the far ultraviolet region (190-250 nm) has a characteristic CD spectrum. In order to understand the activity and structural changes of ascorbate peroxidase from Chinese kale (BaAPX) during denaturation, specific activity and percentage of secondary structure of BaAPX under different time, temperature and concentration were analyzed by CD dynamically. In addition, the percentage of four secondary structures in BaAPX was calculated by CD analysis software Dichroweb. The results show that BaAPX is a full α-type enzyme whose specific activity is positively related to the percentage of α-helix. During denaturation of BaAPX, three kinds of structural changes were proposed: the one-step structural change from initial state (N state) to minimum state of α-helix (R state) under low concentration and low temperature; the one-step structural change from N state to equilibrium state (T state) under high concentration and low temperature; the two-step structural changes from N state through R state to final T state under heat treatment and low temperature renaturation.

A hydrometallurgical process for recovering total metal values from waste monolithic ceramic capacitors.

PubMed

Prabaharan, G; Barik, S P; Kumar, B

2016-06-01

A hydrometallurgical process for recovering the total metal values from waste monolithic ceramic capacitors was investigated. The process parameters such as time, temperature, acid concentration, hydrogen peroxide concentration and other reagents (amount of zinc dust and sodium formate) were optimized. Base metals such as Ba, Ti, Sn, Cu and Ni are leached out in two stages using HCl in stage 1 and HCl with H2O2 in stage 2. More than 99% of leaching efficiency for base metals (Cu, Ni, Ba, Ti and Sn) was achieved. Precious metals such as Au and Pd are leached out using aquaregia and nitric acid was used for the leaching of Ag. Base metals (Ba, Ti, Sn, Cu and Ni) are recovered by selective precipitation using H2SO4 and NaOH solution. In case of precious metals, Au and Pd from the leach solution were precipitated out using sodium metabisulphite and sodium formate, respectively. Sodium chloride was used for the precipitation of Ag from leach solution. Overall recovery for base metals and precious metals are 95% and 92%, respectively. Based on the results of the present study, a process flow diagram was proposed for commercial application. Copyright © 2016 Elsevier Ltd. All rights reserved.

Modulation doping at BaSnO3LaInO3

NASA Astrophysics Data System (ADS)

Char, Kookrin; Shin, Juyeon; Kim, Young Mo; Kim, Youjung

We recently reported on the conductance enhancement at the interface between two band insulators: LaInO3 (LIO) and BaSnO3 (BSO). These two-dimensional electron gas-like (2DEG) states at the LIO/Ba1-xLaxSnO3 (BLSO) polar interface display the stability, the controllability of the local carrier concentration, and the high electron mobility of BLSO. Search for the origin of enhanced conductance at the interface has been carried out, and one of the findings is that the doping level of BSO is a critical parameter for the polar charge contribution . We have also investigated a new modulated heterostructure by inserting an undoped BSO spacer layer at the LIO/BLSO interface. As increasing the thickness of the spacer layer, the carrier concentration and the mobility continually decreased. We attribute the results to the modified band bending as the thickness of the spacer layer varies and to the dislocation-limited transport. However, when we controlled the band bending by field effect, improved mobility was observed in these modulated heterostructures. This new modulated heterostructures of the LIO/BSO polar interface look promising not only for higher electron mobility devices but also for elucidating the mechanism of the 2DEG-like behavior. Samsung science and technology foundation.

Associations of semen quality with non-essential heavy metals in blood and seminal fluid: data from the Environment and Male Infertility (EMI) study in Lebanon.

PubMed

Sukhn, Carol; Awwad, Johnny; Ghantous, Akram; Zaatari, Ghazi

2018-06-21

Human exposure to environmental pollutants is widespread. It was suggested that exposure to non-essential heavy metals may adversely affect semen development in men. To evaluate associations between non-essential heavy metals in blood and seminal fluid and semen quality parameters in men. Male partners of heterosexual couples were included. The following elements were measured in blood and seminal fluid: lead (Pb), cadmium (Cd), arsenic (As), barium (Ba), mercury (Hg), and uranium (U) using ion-coupled plasma-mass spectrometry. The fertility clinic at the American University of Beirut Medical Center. Semen quality parameters (volume, concentration, total count, progressive motility, viability, and normal morphology). We found that participants with low-quality semen had significantly higher Cd and Ba concentrations in the seminal fluid than participants with normal-quality semen. We also observed significant associations between low sperm viability and higher blood Cd and Ba, as well as higher seminal Pb, Cd, Ba, and U. Furthermore, U concentrations in the seminal fluid were associated with increased odds ratios for below-reference progressive sperm motility and normal morphology. Environmental exposures to Pb, Cd, Ba, and U appear to adversely influence sperm development in men. In non-occupationally exposed men, measurements of heavy metals in the seminal fluid may be more predictive of below-reference sperm quality parameters than in blood.

Synthesis and Characterization of Polyol-Assisted Nano Cu0.2Ni0.2Sn0.2Ba0.4 Fe2O4 by a Wet Hydroxyl Route

NASA Astrophysics Data System (ADS)

Pavithradevi, S.; Suriyanarayanan, N.; Boobalan, T.; Velumani, S.; Chandramohan, M.; Manivel Raja, M.

2017-08-01

Nanocrystalline spinel ferrite of composition Cu0.2Ni0.2Sn0.2Ba0.4 Fe2O4 has been synthesized by a wet hydroxyl chemical route in ethylene glycol as chelating agent and sodium hydroxide as precipitator at pH 8. Ethylene glycol has been used as the medium which serves as the solvent as well as a complexing agent. The synthesized particles are annealed at temperatures of 350°C, 700°C, and 1050°C. Thermogravimetric (TG) analysis confirms that at 240°C, ethylene glycol has evaporated completely, and a stable phase is formed above 670°C. Fourier transform infrared (FT-IR) spectroscopy of mixed Cu0.2Ni0.2Sn0.2Ba0.4 ferrite nanoparticles like as synthesized and annealed at 1050°C are recorded between 400 cm-1 and 4000 cm-1. FT-IR appraises the structural formation of Cu0.2Ni0.2Sn0.2Ba0.4 Fe2O4 between the as-synthesized sample and the sample annealed at 1050°C. Structural characterizations of all the samples are carried out by x-ray diffraction (XRD) technique. XRD reveals that the particle size increases with the increase in annealing temperatures. Transmission electron microscopy (TEM) and scanning electron microscopy (SEM) confirms that the particles are flaky and spherical with the crystallite size in the range of 11-27 nm. The decrement of dielectric properties, like dielectric constant and dielectric loss, with the increment of frequency as seen in all the samples is an usual dielectric behavior of spinel ferrites. The lack of net magnetization is noticed immediately when the applied magnetic field is removed which prompts superparamagnetic behavior, as seen in all the samples.

Probing the Site for r-Process Nucleosynthesis with Abundances of Barium and Magnesium in Extremely Metal-poor Stars.

PubMed

Tsujimoto; Shigeyama; Yoshii

2000-03-01

We suggest that if the astrophysical site for r-process nucleosynthesis in the early Galaxy is confined to a narrow mass range of Type II supernova (SN II) progenitors, with a lower mass limit of Mms=20 M middle dot in circle, a unique feature in the observed distribution of [Ba/Mg] versus [Mg/H] for extremely metal-poor stars can be adequately reproduced. We associate this feature, a bifurcation of the observed elemental ratios into two branches in the Mg abundance interval -3.7

Augmentation de la densité de courant critique par dopage de YBCO texturé au BaSnO3

NASA Astrophysics Data System (ADS)

Lepropre, M.; Monot, I.; Delamare, M. P.; Hervieu, M.; Simon, Ch.; Provost, J.; Desgardin, G.; Raveau, B.

1994-11-01

We have performed critical current density measurements (DC current) on melt textured YBaCuO doped with BaSnO3 which exhibits transport values at 77 K as high as 7.1 × 10^4 A cm^{-2} in zero field and 1.1 × 10^4 A cm^{-2} at 20 T. A systematic study of this ceramic has been carried out using SEM and HREM observations in correlation with J_c measurements. A textured microstructure is observed containing numerous green phase inclusions (size leq 10 μm) as well as a few numbers of BaSnO3 inclusions (size < 1 μm). It has been found that transport J_c data are distributed over a wide range (2.5 × 10^3-7.1 × 10^4 A cm^{-2}). Nevertheless, magnetic J_c measurements suggest that cracks of the order of several microns may appear in some regions of the material leading to a dramatic decrease of transport J_c for the corresponding sample. On the other hand, HREM observations demonstrate that extended defects cannot be considered as the major factor for vortex pinning in textured 123 material. The presence or the absence of inhomogeneity at the nanoscale does not seem to influence the critical current density. Finally, it has been determined that pinning can be ascribed to lamellar microstructure rather than to BaSnO3 inclusions. Nous avons mesuré la densité de courant critique de transport (courant continu) J_c, dans une céramique texturée YBaCuO dopée au BaSnO3. Elle présente des valeurs de J_c (77 K) de 7,1 × 10^4 A cm^{-2} en champ magnétique nul et de 1.1 × 10^4 A cm^{-2} sous 20 T. Une étude systématique de cette céramique a été entreprise. La microstructure et la nanostructure observées respectivement en microscopie électronique à balayage SEM et en microscopie à haute résolution HREM ont été corrélées avec les mesures de J_c. On observe dans cette céramique une microstructure texturée contenant de nombreuses inclusions de phase verte (taille leq 10 μm) et un très faible nombre d'inclusions de BaSnO3 (taille < 1 μm). Les valeurs de J_c de transport se révèlent être assez dispersées (2,5 × 10^3 à 7,1 × 10^4 A cm^{-2}). Des mesures de J_c par méthode magnétique ont été effectuées. Le résultat de ces mesures suggère la présence de microfissures dans certaines régions du matériau causant alors une chute dramatique du J_c de transport dans l'échantillon correspondant. D'autre part, les observations HREM démontrent que les défauts étendus recensés ne peuvent pas être tenus pour principaux responsables du piégeage des vortex dans ce type de matériau. L'éventuelle inhomogénéité à l'échelle nanostructurale ne semble pas influencer la densité de courant critique. Le piégeage serait donc principalement gouverné par la microstructure lamellaire et non par la présence d'inclusions de BaSnO3.

Functionalized graphene oxides for drug loading, release and delivery of poorly water soluble anticancer drug: A comparative study.

PubMed

Karki, Neha; Tiwari, Himani; Pal, Mintu; Chaurasia, Alok; Bal, Rajaram; Joshi, Penny; Sahoo, Nanda Gopal

2018-05-18

In this work, the modification of graphene oxides (GOs) have been done with hydrophilic and biodegradable polymer, polyvinylpyrrolidone (PVP) and other excipient β -cyclodextrin (β-CD) through covalent functionalization for efficient loading and compatible release of sparingly water soluble aromatic anticancer drug SN-38 (7-ethyl-10-hydroxy camptothecin). The drug was loaded onto both GO-PVP and GO-β-CD through the π-π interactions.The release of drug from both the nanocarriers were analyzed in different pH medium of pH 7 (water, neutral medium), pH 5 (acidic buffer) and pH 12 (basic buffer). The loading capacity and the cell killing activity of SN-38 loaded on functionalized GO were investigated comprehensively in human breast cancer cells MCF-7.Our findings shown that the cytotoxicity of SN-38 loaded to the polymer modified GO was comparatively higher than free SN-38. In particular, SN-38 loaded GO-PVP nanocarrier has more cytotoxic effect than GO-β-CD nanocarrier against MCF-7 cells, indicating that SN-38 loaded GO-PVP nanocarrier can be used as promising material for drug delivery and biological applications. Copyright © 2018 Elsevier B.V. All rights reserved.

Source apportionment of trace metals in surface waters of a polluted stream using multivariate statistical analyses.

PubMed

Pekey, Hakan; Karakaş, Duran; Bakoğlu, Mithat

2004-11-01

Surface water samples were collected from ten previously selected sites of the polluted Dil Deresi stream, during two field surveys, December 2001 and April 2002. All samples were analyzed using ICP-AES, and the concentrations of trace metals (Al, As, Ba, Cd, Co, Cr, Cu, Fe, Pb, Sn and Zn) were determined. The results were compared with national and international water quality guidelines, as well as literature values reported for similar rivers. Factor analysis (FA) and a factor analysis-multiple regression (FA-MR) model were used for source apportionment and estimation of contributions from identified sources to the concentration of each parameter. By a varimax rotated factor analysis, four source types were identified as the paint industry; sewage, crustal and road traffic runoff for trace metals, explaining about 83% of the total variance. FA-MR results showed that predicted concentrations were calculated with uncertainties lower than 15%.

Essential and toxic elements in meat of wild birds.

PubMed

Roselli, Carla; Desideri, Donatella; Meli, Maria Assunta; Fagiolino, Ivan; Feduzi, Laura

2016-01-01

Essential and toxic elements were determined by inductively coupled plasma-atomic emission spectrometry (ICP-AES), mass spectrometry (MS), and atomic absorption (AS) in meat of 14 migratory birds originating from central and northern Europe to provide baseline data regarding game meat consumed in central Italy. In all samples analyzed, cobalt (Co) and chromium (Cr) (total) levels were <0.326 mg/kg ww . For nonessential or toxic elements, arsenic (As), barium (Ba), cadmium (Cd), stannous (Sn), thallium (Tl), tellurium (Te), titanium (Ti), cerium (Ce), lantanium (La), and uranium (U) concentrations were <0.326 mg/kg ww, thorium (Th) <1.63 mg/kg ww , and mercury (Hg) <0.0163 mg/kg ww . When detectable, lead (Pb) concentrations always exceeded maximal admissible levels for metal (0.1 mg/kg ww ) established by the European Commission for meat. These findings indicate that elevated Pb concentrations in game ingested by humans may be a cause for concern.

Quantification of chemical elements in blood of patients affected by multiple sclerosis.

PubMed

Forte, Giovanni; Visconti, Andrea; Santucci, Simone; Ghazaryan, Anna; Figà-Talamanca, Lorenzo; Cannoni, Stefania; Bocca, Beatrice; Pino, Anna; Violante, Nicola; Alimonti, Alessandro; Salvetti, Marco; Ristori, Giovanni

2005-01-01

Although some studies suggested a link between exposure to trace elements and development of multiple sclerosis (MS), clear information on their role in the aetiology of MS is still lacking. In this study the concentrations of Al, Ba, Be, Bi, Ca, Cd, Co, Cr, Cu, Fe, Hg, Li, Mg, Mn, Mo, Ni, Pb, Sb, Si, Sn, Sr, Tl, V, W, Zn and Zr were determined in the blood of 60 patients with MS and 60 controls. Quantifications were performed by inductively coupled plasma (ICP) atomic emission spectrometry and sector field ICP mass spectrometry. When the two groups were compared, an increased level of Co, Cu and Ni and a decrement of Be, Fe, Hg, Mg, Mo, Pb and Zn in blood of patients were observed. In addition, the discriminant analysis pointed out that Cu, Be, Hg, Co and Mo were able to discriminate between MS patients and controls (92.5% of cases correctly classified).

Visible-light driven photoelectrochemical immunosensor for insulin detection based on MWCNTs@SnS2@CdS nanocomposites.

PubMed

Liu, Yixin; Zhang, Yifeng; Wu, Dan; Fan, Dawei; Pang, Xuehui; Zhang, Yong; Ma, Hongmin; Sun, Xu; Wei, Qin

2016-12-15

In this work, a label-free photoelectrochemical (PEC) immunosensor was developed for ultrasensitive detection of insulin based on MWCNTs@SnS2@CdS nanocomposites. As graphene-like 2D nanomaterial, SnS2 nanosheets loaded on the conducting framework of multi-walled carbon nanotubes (MWCNTs) were adopted for the construction of immunosensor for the first time, providing a favorable substrate for in-situ growth of CdS nanocrystal that had suitable band structure matching well with SnS2. The well-matched band structure of these two metal sulfides effectively inhibited the recombination of photogenerated electron-hole pairs, thus improving the photo-to-current conversion efficiency. Besides, the introduction of MWCNTs facilitated electron transfer across the surface of electrodes, leading to a further increment of photocurrent. The as constructed label-free PEC immunosensor based on MWCNTs@SnS2@CdS nanocomposites exhibited excellent PEC performance for the detection of insulin. The concentrations of insulin could be directly detected based on the decrement of photocurrent that was brought by the increased steric hindrances due to the formation of antigen-antibody immunocomplexes. Under the optimal conditions, the PEC immunosensor had a sensitive response to insulin in a linear range of 0.1pgmL(-1) to 5ngmL(-1) with a detection limit of 0.03pgmL(-1). Meanwhile, good stability and selectivity were achieved as well. The design and fabrication of this PEC immunosensor based on MWCNTs@SnS2@CdS nanocomposites not only provided an ideal platform for the detection of insulin, but also opened up a new avenue for the development of immunosensor for some other biomarkers analysis. Copyright © 2016 Elsevier B.V. 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

First-principles study of direct and indirect optical absorption in BaSnO3

NASA Astrophysics Data System (ADS)

Kang, Youngho; Peelaers, Hartwin; Krishnaswamy, Karthik; Van de Walle, Chris G.

2018-02-01

We report first-principles results for the electronic structure and the optical absorption of perovskite BaSnO3 (BSO). BSO has an indirect fundamental gap, and hence, both direct and indirect transitions need to be examined. We assess direct absorption by calculations of the dipole matrix elements. The phonon-assisted indirect absorption spectrum at room temperature is calculated using a quasiclassical approach. Our analysis provides important insights into the optical properties of BSO and addresses several inconsistencies in the results of optical absorption experiments. We shed light on the variety of bandgap values that have been previously reported, concluding that the indirect gap is 2.98 eV and the direct gap is 3.46 eV.

Interaction of angiogenically stimulated intermediate CD163+ monocytes/macrophages with soft hydrophobic poly(n-butyl acrylate) networks with elastic moduli matched to that of human arteries.

PubMed

Mayer, Anke; Kratz, Karl; Hiebl, Bernhard; Lendlein, Andreas; Jung, Friedrich

2012-03-01

The cell population of peripheral blood monocytes/macrophages (MO) is heterogeneous: The majority of the MO are CD14++ CD16- and named "classical" (= MO1). Furthermore, two other subpopulations were described: CD14++ CD16+ ("intermediate" = MO2) and CD14+ CD16++ ("non-classical" = MO3). It is reported that MO2 possess anti-inflammatory properties and express the MO lineage marker CD163. On a hydrophilic neutrally charged acrylamide-based hydrogel human intermediate (CD14++ CD16+ ), angiogenically stimulated CD163++ monocytes/macrophages (aMO2) maintained a proangiogenic and noninflammatory status for at least 14 days. Here, we explored whether this aMO2 subset adhered to hydrophobic poly(n-butyl acrylate) networks (cPnBA) and also remained in its proangiogenic and noninflammatory status. Because substrate elasticity can impact adherence, morphology, and function of cells, cPnBAs with different Young's modulus (250 and 1100 kPa) were investigated, whereby their elasticity was tailored by variation of the cross-linker content and matched to the elasticity of human arteries. The cPnBAs exhibited similar surface properties (e.g., surface roughness), which were maintained after ethylene oxide sterilization and exposure in serum-free cell culture medium for 18 h at 37°C. aMO2 were seeded on cPnBA samples (1.7 × 10(5) cells/1.33 cm(2) ) in Dulbecco's modified Eagle medium (DMEM high glucose) supplemented with vascular endothelial growth factor 165 (VEGF-A(165) , 10 ng/mL) and fetal calf serum (10 vol%) for 3 and 72 h. On both polymeric samples (n = 3 each), the numbers of adherent cells per unit area were significantly higher (P < 0.01; cPnBA0250: 3 h 13 ± 5 cells/mm(2) , 72 h 234 ± 106 cells/mm(2) ; cPnBA1100: 3 h 14 ± 3 cells/mm(2) , 72 h 198 ± 113 cells/mm(2) ) compared to control cultures (glass, 3 h: 6 ± 3 cells/mm(2) , 72 h: 130 ± 83 cells/mm(2) ) and showed a typically spread morphology. The mRNA expression profile of the aMO2 was not influenced by the substrate elasticity. In the supernatant of aMO2 on cPnBA0250, significantly less VEGF-A(165) product was found than expected based on the mRNA level measured (P < 0.01). Tests with recombinant VEGF-A(165) then demonstrated that significantly more VEGF-A(165) was adhered on cPnBA0250 than on cPnBA1100 (P < 0.01). Seeded on cPnBA, aMO2-unaffected by the elastic moduli of both substrates-seemed to remain in their subset status and secreted VEGF-A(165) without release of proinflammatory cytokines. These in vitro results might indicate that this MO subset can be used as cellular delivery system for proangiogenic and noninflammatory mediators to support the endothelialization of cPnBA. © 2012, Copyright the Authors. Artificial Organs © 2012, International Center for Artificial Organs and Transplantation and Wiley Periodicals, Inc.

Extended Abstracts. International Symposium on Halide Glasses (2nd), Rensselaer Polytechnic Institute, Troy, New York, USA, 2-5 August 1983.

DTIC Science & Technology

1983-08-02

Research and Development in ’" T. Miyashita and i.. . nabe 34 "Environmental Effects on the Strength of Fluoride Glass Fibers" A. Nakata, J. Lau, and J...continuous optical window. Ujnfortunately YVP3 ony permit’s thin samiples (1 mm) to be synthesized. Vitrco&us domnain ina the ternary sys ~tem TIT "Zni - YbF 4...synthesis methods, quenched glasses have been obtained in the CdF2-ZnF 2-BaF2 and CdF2-MnF2-BaF 2 ternary sys - tems. Binary glasses (Cd0 .5Ba0 .5 )F2 have

Codoping in SnTe: Enhancement of Thermoelectric Performance through Synergy of Resonance Levels and Band Convergence

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

Tan, Gangjian; Shi, Fengyuan; Hao, Shiqiang

2015-04-22

We report a significant enhancement of the thermoelectric performance of p-type SnTe over a broad temperature plateau with a peak ZT value of similar to 1.4 at 923 K through In/Cd codoping and a CdS nanostructuring approach. Indium and cadmium play different but complementary roles in modifying the valence band structure of SnTe. Specifically, In-doping introduces resonant levels inside the valence bands, leading to a considerably improved Seebeck coefficient at low temperature. Cd-doping, however, increases the Seebeck coefficient of SnTe remarkably in the mid- to high-temperature region via a convergence of the light and heavy hole bands and an enlargementmore » of the band gap. Combining the two dopants in SnTe yields enhanced Seebeck coefficient and power factor over a wide temperature range due to the synergy of resonance levels and valence band convergence, as demonstrated by the Pisarenko plot and supported by first-principles band structure calculations. Moreover, these codoped samples can be hierarchically structured on all scales (atomic point defects by doping, nanoscale precipitations by CdS nanostructuring, and mesoscale grains by SPS treatment) to achieve highly effective phonon scattering leading to strongly reduced thermal conductivities. In addition to the high maximum ZT the resultant large average ZT of similar to 0.8 between 300 and 923 K makes SnTe an attractive p-type material for high-temperature thermoelectric power generation.« less

Sialoadhesin (Sn) maps to mouse chromosome 2 and human chromosome 20 and is not linked to the other members of the Sialoadhesin family, CD22, MAG, and CD33

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

Mucklow, S.; Hartnell, A.; Crocker, P.R.

1995-07-20

Sialoadhesin is a cell-cell interaction molecule expressed by subpopulations of tissue macrophages. It contains 17 immunoglobulin (Ig)-like domains and is structurally related to CD22, MAG, and CD33. These molecules establish a distinct family of sialic acid-dependent adhesion molecules, the sialoadhesin family. We have mapped the rodent sialoadhesin gene, Sn, to chromosome 2F-H1 by in situ hybridization (ISH) and shown linkage to Il1b and four other markers by backcross linkage analysis. We have also used ISH and a human-mouse somatic cell hybrid panel to localize the human sialoadhesin gene, SN, to the conserved syntenic region on human chromosome 20p13. This demonstratesmore » that the sialoadhesin gene is not linked to the other members of the sialoadhesin family, CD22, MAG. and CD33, which have been independently mapped to the distal region of mouse chromosome 7 and to human chromosome 19q13.1-3. 19 refs., 1 fig.« less

Using elemental profiles and stable isotopes to trace the origin of green coffee beans on the global market.

PubMed

Santato, Alessandro; Bertoldi, Daniela; Perini, Matteo; Camin, Federica; Larcher, Roberto

2012-09-01

A broad elemental profile incorporating 54 elements (Li, Be, B, Na, Mg, Al, P, K, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, Ge, As, Se, Rb, Sr, Y, Mo, Pd, Ag, Cd, Sn, Sb, Te, Cs, Ba, La, Ce, Pr, Nd, Sm, Eu, Gd, Dy, Er, Tm, Yb, Re, Ir, Pt, Au, Hg, Tl, Pb, Bi and U) in combination with δ(2) H, δ(13) C, δ(15) N and δ(18) O was used to characterise the composition of 62 green arabica (Coffea arabica) and robusta (Coffea canephora) coffee beans grown in South and Central America, Africa and Asia, the four most internationally renowned areas of production. The δ(2) H, Mg, Fe, Co and Ni content made it possible to correctly assign 95% of green coffee beans to the appropriate variety. Canonical discriminant analysis, performed using δ(13) C, δ(15) N, δ(18) O, Li, Mg, P, K, Mn, Co, Cu, Se, Y, Mo, Cd, La and Ce correctly traced the origin of 98% of coffee beans. Copyright © 2012 John Wiley & Sons, Ltd.

High efficiency Cu2ZnSn(S,Se)4 solar cells by applying a double In2S3/CdS emitter.

PubMed

Kim, Jeehwan; Hiroi, Homare; Todorov, Teodor K; Gunawan, Oki; Kuwahara, Masaru; Gokmen, Tayfun; Nair, Dhruv; Hopstaken, Marinus; Shin, Byungha; Lee, Yun Seog; Wang, Wei; Sugimoto, Hiroki; Mitzi, David B

2014-11-26

High-efficiency Cu2ZnSn(S,Se)4 solar cells are reported by applying In2S3/CdS double emitters. This new structure offers a high doping concentration within the Cu2ZnSn(S,Se)4 solar cells, resulting in a substantial enhancement in open-circuit voltage. The 12.4% device is obtained with a record open-circuit voltage deficit of 593 mV. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Enhanced temperature stability and quality factor with Hf substitution for Sn and MnO2 doping of (Ba0.97Ca0.03)(Ti0.96Sn0.04)O3 lead-free piezoelectric ceramics with high Curie temperature

NASA Astrophysics Data System (ADS)

Tsai, Cheng-Che; Chao, Wei-Hsiang; Chu, Sheng-Yuan; Hong, Cheng-Shong; Weng, Chung-Ming; Su, Hsiu-Hsien

2016-12-01

In this work, the process of two-stage modifications for (Ba0.97Ca0.03)(Ti0.96Sn0.04-xHfx)O3 (BCTS4-100xH100x) ceramics was studied. The trade-off composition was obtained by Hf substitution for Sn and MnO2 doping (two-stage modification) which improves the temperature stability and piezoelectric properties. The phase structure ratio, microstructure, and dielectric, piezoelectric, ferroelectric, and temperature stability properties were systematically investigated. Results showed that BCTS4-100xH100x piezoelectric ceramics with x=0.035 had a relatively high Curie temperature (TC) of about 112 °C, a piezoelectric charge constant (d33) of 313 pC/N, an electromechanical coupling factor (kp) of 0.49, a mechanical quality factor (Qm) of 122, and a remnant polarization (Pr) of 19 μ C /cm2 . In addition, the temperature stability of the resonant frequency (fr), kp, and aging d33 could be tuned via Hf content. Good piezoelectric temperature stability (up to 110 °C) was found with x =0.035. BCTS0.5H3.5 + a mol% Mn (BCTSH + a Mn) piezoelectric ceramics with a = 2 had a high TC of about 123 °C, kp ˜ 0.39, d33 ˜ 230 pC/N, Qm ˜ 341, and high temperature stability due to the produced oxygen vacancies. This mechanism can be depicted using the complex impedance analysis associated with a valence compensation model on electric properties. Two-stage modification for lead-free (Ba0.97Ca0.03)(Ti0.96Sn0.04)O3 ceramics suitably adjusts the compositions for applications in piezoelectric motors and actuators.

A search for Fermi bursts associated with supernovae and their frequency of occurrence

NASA Astrophysics Data System (ADS)

Kovacevic, M.; Izzo, L.; Wang, Y.; Muccino, M.; Della Valle, M.; Amati, L.; Barbarino, C.; Enderli, M.; Pisani, G. B.; Li, L.

2014-09-01

Context. Observations suggest that most long duration gamma-ray bursts (GRBs) are connected with broad-line supernovae Ib/c, (SNe-Ibc). The presence of GRB-SNe is revealed by rebrightenings emerging from the optical GRB afterglow 10-15 days, in the rest-frame of the source, after the prompt GRB emission. Aims: Fermi/GBM has a field of view (FoV) about 6.5 times larger than the FoV of Swift, therefore we expect that a number of GRB-SN connections have been missed because of lack of optical and X-ray instruments on board of Fermi, which are essential for revealing SNe associated with GRBs. This has motivated our search in the Fermi catalog for possible GRB-SN events. Methods: The search for possible GRB-SN associations follows two requirements: (1) SNe should fall inside the Fermi/GBM error box of the considered long GRB, and (2) this GRB should occur within 20 days before the SN event. Results: We have found five cases within z< 0.2 fulfilling the above reported requirements. One of them, GRB 130702A-SN 2013dx, was already known to have a GRB-SN association. We have analyzed the remaining four cases and we have concluded that three of them are, very likely, just random coincidences due to the Fermi/GBM large error box associated with each GRB detection. We found one GRB possibly associated with a SN 1998bw-like source, GRB 120121B/SN 2012ba. Conclusions: The very low redshift of GRB 120121B/SN 2012ba (z = 0.017) implies a low isotropic energy of this burst (Eiso = 1.39 × 1048) erg. We then compute the rate of Fermi low-luminosity GRBs connected with SNe to be ρ0,b ≤ 770 Gpc-3 yr-1. We estimate that Fermi/GBM could detect 1-4 GRBs-SNe within z ≤ 0.2 in the next 4 years.

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

Karayigit, A.I.; Bulut, Y.; Karayigit, G.

A total of 48 samples, feed coals (FCs), fly ashes (FAs) and bottom ashes (BAs), which were systematically collected once a week over an eight-week period from boiler units, B1-4 with 660 MW and B5-6 with 330 MW capacity from Soma power plant, have been evaluated for major and trace elements (Al, Ca, Fe, K, Mg, Mn, Na, Ti, S, As, B, Ba, Be, Bi, Cd, Co, Cr, Cu, Cs, Ga, Ge, Hf, Hg, Li, Mo, Nb, Ni, P, Pb, Rb, Sb, Sc, Se, Sn, Sr, Ta, Th, Tl, U, V, Y, Zn, Zr, and REEs) to get information onmore » behavior during coal combustion. This study indicates that some elements such as Hg, Bi, Cd, As, Pb, Ge, Tl, Sn, Zn, Sb, B show enrichments in FAs relative to the BAs in both group boiler units. In addition to these, Cs, Lu, Tm, and Ga in Units B1-4 and S in Units B5-6 also have enrichments in FAs. Elements showing enrichments in BAs in both group boiler units are Ta, Mn, Nb. In addition to these, Se, Ca, Mg, Na, Fe in Units B1-4 and Cu in Units B5-6 also have enrichments in BAs. The remaining elements investigated in this study have no clear segregation between FAs and BAs. Mass balance calculations with the two methods show that some elements, S, Ta, Hg, Se, Zn, Na, Ca in Units B1-4, and Hg, S, Ta, Se, P in Units B5-6, have volatile behavior during coal combustion in the Soma power plant. This study also implies that some elements, Sb and Tb in Units B1-4 and Sb in Units B5-6, have relatively high retention effects in the combustion residues from the Soma power plant.« less

Thin film dielectric composite materials

DOEpatents

Jia, Quanxi; Gibbons, Brady J.; Findikoglu, Alp T.; Park, Bae Ho

2002-01-01

A dielectric composite material comprising at least two crystal phases of different components with TiO.sub.2 as a first component and a material selected from the group consisting of Ba.sub.1-x Sr.sub.x TiO.sub.3 where x is from 0.3 to 0.7, Pb.sub.1-x Ca.sub.x TiO.sub.3 where x is from 0.4 to 0.7, Sr.sub.1-x Pb.sub.x TiO.sub.3 where x is from 0.2 to 0.4, Ba.sub.1-x Cd.sub.x TiO.sub.3 where x is from 0.02 to 0.1, BaTi.sub.1-x Zr.sub.x O.sub.3 where x is from 0.2 to 0.3, BaTi.sub.1-x Sn.sub.x O.sub.3 where x is from 0.15 to 0.3, BaTi.sub.1-x Hf.sub.x O.sub.3 where x is from 0.24 to 0.3, Pb.sub.1-1.3x La.sub.x TiO.sub.3+0.2x where x is from 0.23 to 0.3, (BaTiO.sub.3).sub.x (PbFeo.sub.0.5 Nb.sub.0.5 O.sub.3).sub.1-x where x is from 0.75 to 0.9, (PbTiO.sub.3).sub.- (PbCo.sub.0.5 W.sub.0.5 O.sub.3).sub.1-x where x is from 0.1 to 0.45, (PbTiO.sub.3).sub.x (PbMg.sub.0.5 W.sub.0.5 O.sub.3).sub.1-x where x is from 0.2 to 0.4, and (PbTiO.sub.3).sub.x (PbFe.sub.0.5 Ta.sub.0.5 O.sub.3).sub.1-x where x is from 0 to 0.2, as the second component is described. The dielectric composite material can be formed as a thin film upon suitable substrates.

A comparative study of carrier lifetimes in ESWIR and MWIR materials: HgCdTe, InGaAs, InAsSb, and GeSn (Conference Presentation)

NASA Astrophysics Data System (ADS)

Bellotti, Enrico; Wen, Hanqing; Dominici, Stefano; Glasmann, Andreu L.

2017-02-01

HgCdTe has been the material of choice for MWIR, and LWIR infrared sensing due to its highly tunable band gap and favorable material properties. However, HgCdTe growth and processing for the ESWIR spectral region is less developed, so alternative materials are actively researched. It is important to compare the fundamental limitations of each material to determine which offers optimal device performance. In this article, we investigate the intrinsic recombination mechanisms of ESWIR materials—InGaAs, GeSn, and HgCdTe—with cutoff wavelength near 2.5μm, and MWIR with cutoff of 5μm. First, using an empirical pseudo-potential model, we calculate the full band structure of each alloy using the virtual crystal approximation, modified to include disorder effects and spin-orbit coupling. We then evaluate the Auger and radiative recombination rates using a Green's function based model, applied to the full material band structure, yielding intrinsic carrier lifetimes for each given temperature, carrier injection, doping density, and cutoff wavelength. For example, we show that ESWIR HgCdTe has longer carrier lifetimes than InGaAs when strained or relaxed near room temperature, which is advantageous for high operating temperature photodetectors. We perform similar analyses for varying composition GeSn by comparing the calculated lifetimes with InGaAs and HgCdTe. Finally, we compare HgCdTe, InAsSb and GeSn with a cutoff in the MWIR spectral band.

A novel label-free photoelectrochemical sensor based on N,S-GQDs and CdS co-sensitized hierarchical Zn2SnO4 cube for detection of cardiac troponin I.

PubMed

Fan, Dawei; Bao, Chunzhu; Khan, Malik Saddam; Wang, Chuanlei; Zhang, Yong; Liu, Qinze; Zhang, Xian; Wei, Qin

2018-05-30

A novel label-free photoelectrochemical (PEC) sensor based on graphene quantum dots doped with nitrogen and sulfur (N,S-GQDs) and CdS co-sensitized hierarchical Zn 2 SnO 4 cube was fabricated to detect cardiac troponin I (cTnI). The unique hierarchical Zn 2 SnO 4 cube was synthesized successfully by the solvothermal method, which has a large specific surface to load functional materials. N,S-GQDs nanoparticles were assembled to the surface of cubic Zn 2 SnO 4 coated ITO electrode, which efficiently accelerated the electronic transition and improved photo-to-current conversion efficiency. Then, CdS nanoparticles further were modified by in-situ growth method to form Zn 2 SnO 4 /N,S-GQDs/CdS composite with prominent photocurrent, which was 30 times that of the Zn 2 SnO 4 cube alone. In this work, the specific immune recognition between cTnI antigens and cTnI antibodies (anti-cTnI) reduced the intensity of the photoelectric signal. And the intensity decreased linearly with the logarithm of cTnI concentration range from 0.001 ng/mL to 50 ng/mL with a detection limit of 0.3 pg/mL. With high sensitivity, excellent selectivity, good stability and reproducibility, the fabricated PEC sensor showed promising applications in the sensor, clinical diagnosis of myocardial infarction and PEC analysis. Copyright © 2018 Elsevier B.V. All rights reserved.

THz characterization and demonstration of visible-transparent/terahertz-functional electromagnetic structures in ultra-conductive La-doped BaSnO3 Films.

PubMed

Arezoomandan, Sara; Prakash, Abhinav; Chanana, Ashish; Yue, Jin; Mao, Jieying; Blair, Steve; Nahata, Ajay; Jalan, Bharat; Sensale-Rodriguez, Berardi

2018-02-23

We report on terahertz characterization of La-doped BaSnO 3 (BSO) thin-films. BSO is a transparent complex oxide material, which has attracted substantial interest due to its large electrical conductivity and wide bandgap. The complex refractive index of these films is extracted in the 0.3 to 1.5 THz frequency range, which shows a metal-like response across this broad frequency window. The large optical conductivity found in these films at terahertz wavelengths makes this material an interesting platform for developing electromagnetic structures having a strong response at terahertz wavelengths, i.e. terahertz-functional, while being transparent at visible and near-IR wavelengths. As an example of such application, we demonstrate a visible-transparent terahertz polarizer.

A simple structure of Cu2ZnSnS4/CdS solar cells prepared by sputtering

NASA Astrophysics Data System (ADS)

Li, Zhishan; Wang, Shurong; Ma, Xun; Yang, Min; Jiang, Zhi; Liu, Tao; Lu, Yilei; Liu, Sijia

2017-12-01

In this work, Cu2ZnSnS4 (CZTS) thin films were grown on Mo-coated Soda-lime-glass (SLG) substrates by annealing of sputtered ZnS/Sn/CuS precursors at 580 ℃ for 15 min. As a try, the CZTS solar cells were fabricated using simple structure of Mo-coated SLG/CZTS/CdS/Al and traditional structure of Mo-coated SLG/CZTS/CdS/i-ZnO/In2O3:SnO2 (ITO)/Al, respectively. The results show that the CZTS device with simple structure can achieve same level of the open circuit voltage (Voc) compared with that of traditional structure. In addition, the power conversion efficiency of 2.95% and 3.59% were obtained with simple structure and traditional structure, respectively. The CZTS solar cell with simple structure provides a promising way and an easy process to prepare high-performance CZTS thin film solar cells which is available to large-scale industrial production in the future.

Nonradiative Energy Transfer from Individual CdSe/ZnS Quantum Dots to Single-Layer and Few-Layer Tin Disulfide

DOE PAGES

Zang, Huidong; Routh, Prahlad K.; Huang, Yuan; ...

2016-03-31

We study the combination of zero-dimensional (0D) colloidal CdSe/ZnS quantum dots with tin disulfide (SnS 2), a two-dimensional (2D)-layered metal dichalcogenide, results in 0D–2D hybrids with enhanced light absorption properties. These 0D–2D hybrids, when exposed to light, exhibit intrahybrid nonradiative energy transfer from photoexcited CdSe/ZnS quantum dots to SnS 2. Using single nanocrystal spectroscopy, we find that the rate for energy transfer in 0D–2D hybrids increases with added number of SnS 2 layers, a positive manifestation toward the potential functionality of such 2D-based hybrids in applications such as photovoltaics and photon sensing.

Nonradiative Energy Transfer from Individual CdSe/ZnS Quantum Dots to Single-Layer and Few-Layer Tin Disulfide

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

Zang, Huidong; Routh, Prahlad K.; Huang, Yuan

We study the combination of zero-dimensional (0D) colloidal CdSe/ZnS quantum dots with tin disulfide (SnS 2), a two-dimensional (2D)-layered metal dichalcogenide, results in 0D–2D hybrids with enhanced light absorption properties. These 0D–2D hybrids, when exposed to light, exhibit intrahybrid nonradiative energy transfer from photoexcited CdSe/ZnS quantum dots to SnS 2. Using single nanocrystal spectroscopy, we find that the rate for energy transfer in 0D–2D hybrids increases with added number of SnS 2 layers, a positive manifestation toward the potential functionality of such 2D-based hybrids in applications such as photovoltaics and photon sensing.

Higher TGF-β with lower CD124 and TSLP, but no difference in PAR-2 expression in bronchial biopsy of bronchial asthma patients in comparison with COPD patients.

PubMed

Matěj, Radoslav; Vašáková, Martina; Kukal, Jaromír; Sterclová, Martina; Olejár, Tomáš

2014-08-01

Chronic obstructive pulmonary disease (COPD) and bronchial asthma (BA) are 2 severe respiratory disorders with different predominated immunopathologies. There are several "novel molecules" from different families that are proposed as part of the etiopathogenesis of COPD and BA. Proteinase-activated receptor 2 (PAR-2), thymic stromal lymphoprotein (TSLP), interleukin-4 and its receptor (CD124), Yin-Yang 1 (YY1), and transforming growth factor beta (TGF-β) have been previously shown to be involved in the pathophysiology of both these diseases. We investigated PAR-2, TSLP, CD124 (interleukin-4R), TGF-β, and YY1 immunohistochemical expression in endobronchial and transbronchial biopsies from 22 BA patients and 20 COPD patients. Immunostaining for the above-mentioned antigens was quantified using a modified semiquantitative scoring system and statistically evaluated. The values of TGF-β in the epithelial cells (P=0.0007) and TGF-β in the submucosa (P=0.0075) were higher in the BA samples, whereas values of CD124 (P=0.0015) and TSLP (P=0.0106) were higher in the COPD samples. No statistically significant differences between the groups were recorded for PAR-2 and YY1. Airway inflammatory reaction diversity in BA and COPD seems to be disease specific; however, there are also shared mechanisms involved in the pathophysiology of both diseases.

Correlation between structural and thermodynamic properties of some selenium based phase-change materials

NASA Astrophysics Data System (ADS)

Chandel, Namrata; Mehta, Neeraj

2018-04-01

In this study, we prepared novel selenium rich multi-component glasses by incorporating In, Cd and Sb as foreign elements in an Sn containing Sesbnd Te system in order to study their metal-induced effects on the thermal properties of the parent ternary glass. In particular, we determined the thermodynamic parameters of Se80Te18Sn2 and Se80Te8Sn2M10 (M = Cd, In, Sb) glassy semiconductors in a non-isothermal environment using the differential scanning calorimetry. Calorimetric measurements were obtained in the glass transition regions for Se80Te18Sn2 and Se80Te8Sn2M10 (M = Cd, In, Sb) glasses to determine their thermodynamic parameters such as the specific heat, enthalpy, and entropy during glass transition. We analyzed the variation in the specific heat before and after the heat capacity jump in these alloys. The metal-induced effects of foreign elements on the thermodynamic properties of the parent glass were also investigated in terms of the influence of the elemental specific heat of the added elemental metal as well as the thermal stability and glass-forming ability of the glasses.

Hydrides of Alkaline Earth–Tetrel (AeTt) Zintl Phases: Covalent Tt–H Bonds from Silicon to Tin

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

Auer, Henry; Guehne, Robin; Bertmer, Marko

Zintl phases form hydrides either by incorporating hydride anions (interstitial hydrides) or by covalent bonding of H to the polyanion (polyanionic hydrides), which yields a variety of different compositions and bonding situations. Hydrides (deuterides) of SrGe, BaSi, and BaSn were prepared by hydrogenation (deuteration) of the CrB-type Zintl phases AeTt and characterized by laboratory X-ray, synchrotron, and neutron diffraction, NMR spectroscopy, and quantum-chemical calculations. SrGeD4/3–x and BaSnD4/3–x show condensed boatlike six-membered rings of Tt atoms, formed by joining three of the zigzag chains contained in the Zintl phase. These new polyanionic motifs are terminated by covalently bound H atoms withmore » d(Ge–D) = 1.521(9) Å and d(Sn–D) = 1.858(8) Å. Additional hydride anions are located in Ae4 tetrahedra; thus, the features of both interstitial hydrides and polyanionic hydrides are represented. BaSiD2–x retains the zigzag Si chain as in the parent Zintl phase, but in the hydride (deuteride), it is terminated by H (D) atoms, thus forming a linear (SiD) chain with d(Si–D) = 1.641(5) Å.« less

Leaching of Metal Pollutants from Four Well Casings Used for Ground-Water Monitoring

DTIC Science & Technology

1989-09-01

Atomic Spectroscopy, 4:126-128. 10 APPENDIX A : LEVELS OF CD, PB, CR, BA AND CU DETERMINED IN GROUND-WATER SOLUTIONS (MG/L). Time Pqle R:ph’itc (day1s...7 Conclusion ................................................... 9 Literature cited ................................................ 9 Appendix A ... Levels of Cd, Pb, Cr, Ba and Cu determined in ground-water solutions .................................................. 11 ILLUSTRATIONS Figure 1. Ground

Comparative study of polymer and liquid electrolytes in quantum dot sensitized solar cells

NASA Astrophysics Data System (ADS)

Poudyal, Uma; Wang, Wenyong

We present the study of CdS/CdSe quantum dot sensitized solar cells (QDSSCs) in which Zn2SnO4\\ nanowires on the conductive glass are used as photoanode. The CdS/CdSe quantum dots (QDs) are deposited in the Zn2SnO4 photoanode by the Successive Ionic Layer Adsorption and Reaction (SILAR) method. CdS is first deposited on the nanowires after which it is further coated with 5 cycles of CdSe QDs. Finally, ZnS is coated on the QDs as a passivation layer. The QD sensitized photoanode are then used to assemble a solar device with the polymer and liquid electrolytes. The Incident Photon to Current Efficiency (IPCE) spectra are obtained for the CdS/CdSe coated nanowires. Further, a stability test of these devices is performed, using the polymer and liquid electrolytes, which provides insight to determine the better working electrolyte in the CdS/CdSe QDSSCs. Department of Energy.

Accelerated Discovery of Large Electrostrains in BaTiO3 -Based Piezoelectrics Using Active Learning.

PubMed

Yuan, Ruihao; Liu, Zhen; Balachandran, Prasanna V; Xue, Deqing; Zhou, Yumei; Ding, Xiangdong; Sun, Jun; Xue, Dezhen; Lookman, Turab

2018-02-01

A key challenge in guiding experiments toward materials with desired properties is to effectively navigate the vast search space comprising the chemistry and structure of allowed compounds. Here, it is shown how the use of machine learning coupled to optimization methods can accelerate the discovery of new Pb-free BaTiO 3 (BTO-) based piezoelectrics with large electrostrains. By experimentally comparing several design strategies, it is shown that the approach balancing the trade-off between exploration (using uncertainties) and exploitation (using only model predictions) gives the optimal criterion leading to the synthesis of the piezoelectric (Ba 0.84 Ca 0.16 )(Ti 0.90 Zr 0.07 Sn 0.03 )O 3 with the largest electrostrain of 0.23% in the BTO family. Using Landau theory and insights from density functional theory, it is uncovered that the observed large electrostrain is due to the presence of Sn, which allows for the ease of switching of tetragonal domains under an electric field. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High-field transport properties of a P-doped BaFe2As2 film on technical substrate

PubMed Central

Iida, Kazumasa; Sato, Hikaru; Tarantini, Chiara; Hänisch, Jens; Jaroszynski, Jan; Hiramatsu, Hidenori; Holzapfel, Bernhard; Hosono, Hideo

2017-01-01

High temperature (high-Tc) superconductors like cuprates have superior critical current properties in magnetic fields over other superconductors. However, superconducting wires for high-field-magnet applications are still dominated by low-Tc Nb3Sn due probably to cost and processing issues. The recent discovery of a second class of high-Tc materials, Fe-based superconductors, may provide another option for high-field-magnet wires. In particular, AEFe2As2 (AE: Alkali earth elements, AE-122) is one of the best candidates for high-field-magnet applications because of its high upper critical field, Hc2, moderate Hc2 anisotropy, and intermediate Tc. Here we report on in-field transport properties of P-doped BaFe2As2 (Ba-122) thin films grown on technical substrates by pulsed laser deposition. The P-doped Ba-122 coated conductor exceeds a transport Jc of 105 A/cm2 at 15 T for main crystallographic directions of the applied field, which is favourable for practical applications. Our P-doped Ba-122 coated conductors show a superior in-field Jc over MgB2 and NbTi, and a comparable level to Nb3Sn above 20 T. By analysing the E − J curves for determining Jc, a non-Ohmic linear differential signature is observed at low field due to flux flow along the grain boundaries. However, grain boundaries work as flux pinning centres as demonstrated by the pinning force analysis. PMID:28079117

High-field transport properties of a P-doped BaFe2As2 film on technical substrate

NASA Astrophysics Data System (ADS)

Iida, Kazumasa; Sato, Hikaru; Tarantini, Chiara; Hänisch, Jens; Jaroszynski, Jan; Hiramatsu, Hidenori; Holzapfel, Bernhard; Hosono, Hideo

2017-01-01

High temperature (high-Tc) superconductors like cuprates have superior critical current properties in magnetic fields over other superconductors. However, superconducting wires for high-field-magnet applications are still dominated by low-Tc Nb3Sn due probably to cost and processing issues. The recent discovery of a second class of high-Tc materials, Fe-based superconductors, may provide another option for high-field-magnet wires. In particular, AEFe2As2 (AE: Alkali earth elements, AE-122) is one of the best candidates for high-field-magnet applications because of its high upper critical field, Hc2, moderate Hc2 anisotropy, and intermediate Tc. Here we report on in-field transport properties of P-doped BaFe2As2 (Ba-122) thin films grown on technical substrates by pulsed laser deposition. The P-doped Ba-122 coated conductor exceeds a transport Jc of 105 A/cm2 at 15 T for main crystallographic directions of the applied field, which is favourable for practical applications. Our P-doped Ba-122 coated conductors show a superior in-field Jc over MgB2 and NbTi, and a comparable level to Nb3Sn above 20 T. By analysing the E - J curves for determining Jc, a non-Ohmic linear differential signature is observed at low field due to flux flow along the grain boundaries. However, grain boundaries work as flux pinning centres as demonstrated by the pinning force analysis.

Fabrication of ZnO/SnO2 hierarchical structures as the composite photoanodes for efficient CdS/CdSe co-sensitized solar cells

NASA Astrophysics Data System (ADS)

Lin, Yibing; Lin, Yu; Wu, Jihuai; Zhang, Xiaolong; Fang, Biaopeng

2017-03-01

The composite photoanodes based on the ZnO/SnO2 hierarchical structures with high photoelectricity properties have been successfully synthesized, and used in the CdS and CdSe quantum dots co-sensitized solar cells (QDSSCs). In this experiment, the ZnO/SnO2 nanoparticles (ZS-NP) and hierarchical nanosheets-based microflowers (ZS-MF) were prepared by the one-step hydrothermal route and the morphologies of the products were controlled by the solvent variation. An improved power conversion efficiency of 4.98% was achieved for the cell based on the ZS-MF composite photoanodes, which showed an increase of 21.8% compared to the ZS-NP photoanodes (4.09%). This result is mainly connected to the unique superiority of the three-dimensional hierarchical microflower nanostructures for light scattering and quantum dots loading, which is responsible for the increase of photocurrent values and eventual PCE.

ZnO/Sn:In2O3 and ZnO/CdTe band offsets for extremely thin absorber photovoltaics

NASA Astrophysics Data System (ADS)

Kaspar, T. C.; Droubay, T.; Jaffe, J. E.

2011-12-01

Band alignments were measured by x-ray photoelectron spectroscopy for thin films of ZnO on polycrystalline Sn:In2O3 (ITO) and single crystal CdTe. Hybrid density functional theory calculations of epitaxial zinc blende ZnO(001) on CdTe(001) were performed to compare with experiment. A conduction band (CB) offset of -0.6 eV was measured for ZnO/ITO, which is larger than desired for efficient electron injection. For ZnO/CdTe, the experimental conduction band offset of 0.25 eV is smaller than the calculated value of 0.67 eV, possibly due to the TeOx layer at the ZnO/CdTe interface. The measured conduction band offset for ZnO/CdTe is favorable for photovoltaic devices.

Tuning operating temperature of BaSnO3 gas sensor for reducing and oxidizing gases

NASA Astrophysics Data System (ADS)

Kumar, Sachin; Pugh, David; Dasgupta, Daipayan; Sarin, Neha; Parkin, Ivan; Luthra, Vandna

2018-05-01

Barium stannate (BaSnO3) was prepared by solid state ceramic route. The crystalline phase of the prepared sample was confirmed by X-Ray Diffraction (XRD) pattern. Gas sensing behaviour of barium stannate was investigated for reducing and oxidizing gases; such as butane, ethanol, CO and NO2; from 5 ppm to 50 ppm levels of concentration. Barium stannate sensors were optimized for highest responsiveness by varying operating temperature between 270 °C to 550 °C. Its highest response was observed for ethanol at 300°C. The gas sensing response of ethanol was better than other gases at all the operating temperatures. Such studies in conjunction with gas sensing tests can be used for setting the optimum operating temperatures and can be used for low concentration ethanol sensing applications.

Structural properties of barium stannate

NASA Astrophysics Data System (ADS)

Phelan, D.; Han, F.; Lopez-Bezanilla, A.; Krogstad, M. J.; Gim, Y.; Rong, Y.; Zhang, Junjie; Parshall, D.; Zheng, H.; Cooper, S. L.; Feygenson, M.; Yang, Wenge; Chen, Yu-Sheng

2018-06-01

BaSnO3 has attracted attention as a transparent conducting oxide with high room temperature carrier mobility. We report a series of measurements that were carried out to assess the structure of BaSnO3 over a variety of length scales. Measurements included single crystal neutron and x-ray diffraction, Rietveld and pair distribution analysis of neutron powder diffraction, Raman scattering, and high-pressure x-ray diffraction. Results from the various diffraction probes indicate that both the long-range and local structures are consistent with the cubic symmetry. The diffraction data under pressure was consistent with a robustly cubic phase up to 48.9 GPa, which is supported by density functional calculations. Additionally, transverse phonon velocities were determined from measured dispersion of the transverse acoustic phonon branches, the results of which are in good agreement with previous theoretical estimates and ultrasound measurements.

Common Occurrence of Explosive Hydrogen Burning in Type II Supernovae

NASA Astrophysics Data System (ADS)

Liu, Nan; Stephan, Thomas; Boehnke, Patrick; Nittler, Larry R.; Meyer, Bradley S.; O’D. Alexander, Conel M.; Davis, Andrew M.; Trappitsch, Reto; Pellin, Michael J.

2018-03-01

We report Mo isotopic data for 16 15N-rich presolar SiC grains of type AB (14N/15N < solar, AB1) and their correlated Sr and Ba isotope ratios when available. Of the 16 AB1 grains, 8 show s-process Mo isotopic compositions, together with s-process Ba and/or Sr isotopic compositions. We found that a higher percentage of AB1 grains show anomalous isotopic compositions than that of AB2 grains (14N/15N > solar), thus providing further support to the division of the two AB subgroups recently proposed by Liu et al., who showed that AB1 grains most likely originated from Type II supernovae (SNe) with explosive H burning. Comparison of the Sr, Mo, and Ba isotopic compositions of the AB1 grains with SN model predictions indicates that the s-process isotopic compositions of AB1 grains resulted from neutron-capture processes occurring during the progenitor massive stars’ pre-SN evolution rather than from an explosive neutron-capture process. In addition, the observations of (1) explosive H burning occurring in the C-rich regions of the progenitor SNe of X grains as suggested by the isotopic compositions of X grains, and (2) explosive H burning occurring both at the bottom of the He/C zone and at the top of the He/N zone as suggested by model simulations, imply that explosive H burning is a common phenomenon in outer SN zones.

Conventional U-Pb dating versus SHRIMP of the Santa Barbara Granite Massif, Rondonia, Brazil

USGS Publications Warehouse

Sparrenberger, I.; Bettencourt, Jorge S.; Tosdal, R.M.; Wooden, J.L.

2002-01-01

The Santa Ba??rbara Granite Massif is part of the Younger Granites of Rondo??nia (998 - 974 Ma) and is included in the Rondo??nia Tin Province (SW Amazonian Craton). It comprises three highly fractionated metaluminous to peraluminous within-plate A-type granite units emplaced in older medium-grade metamorphic rocks. Sn-mineralization is closely associated with the late-stage unit. U-Pb monazite conventional dating of the early-stage Serra do Cicero facies and late-stage Serra Azul facies yielded ages of 993 ?? 5 Ma and 989 ?? 13 Ma, respectively. Conventional multigrain U-Pb isotope analyses of zircon demonstrate isotopic disturbance (discordance) and the preservation of inherited older zircons of several different ages and thus yield little about the ages of Sn-granite magmatism. SHRIMP U-Pb ages for the Santa Ba??rbara facies association yielded a 207Pb/206Pb weighted-mean age of 978 ?? 13 Ma. The textural complexity of the zircon crystals of the Santa Ba??rbara facies association, the variable concentrations of U, Th and Pb, as well as the mixed inheritance of zircon populations are major obstacles to using conventional multigrain U-Pb isotopic analyses. Sm-Nd model ages and ??Nd (T) values reveal anomalous isotopic data, attesting to the complex isotopic behaviour within these highly fractionated granites. Thus, SHRIMP U-Pb zircon and conventional U-Pb monazite dating methods are the most appropriate to constrain the crystallization age of the Sn-bearing granite systems in the Rondo??nia Tin Province.

Common Occurrence of Explosive Hydrogen Burning in Type II Supernovae

DOE PAGES

Liu, Nan; Stephan, Thomas; Boehnke, Patrick; ...

2018-03-16

In this paper, we report Mo isotopic data for 16 15N-rich presolar SiC grains of type AB ( 14N/ 15N < solar, AB1) and their correlated Sr and Ba isotope ratios when available. Of the 16 AB1 grains, 8 show s-process Mo isotopic compositions, together with s-process Ba and/or Sr isotopic compositions. We found that a higher percentage of AB1 grains show anomalous isotopic compositions than that of AB2 grains ( 14N/ 15N > solar), thus providing further support to the division of the two AB subgroups recently proposed by Liu et al., who showed that AB1 grains most likelymore » originated from Type II supernovae (SNe) with explosive H burning. Comparison of the Sr, Mo, and Ba isotopic compositions of the AB1 grains with SN model predictions indicates that the s-process isotopic compositions of AB1 grains resulted from neutron-capture processes occurring during the progenitor massive stars' pre-SN evolution rather than from an explosive neutron-capture process. Finally, in addition, the observations of (1) explosive H burning occurring in the C-rich regions of the progenitor SNe of X grains as suggested by the isotopic compositions of X grains, and (2) explosive H burning occurring both at the bottom of the He/C zone and at the top of the He/N zone as suggested by model simulations, imply that explosive H burning is a common phenomenon in outer SN zones.« less

Common Occurrence of Explosive Hydrogen Burning in Type II Supernovae

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

Liu, Nan; Stephan, Thomas; Boehnke, Patrick

In this paper, we report Mo isotopic data for 16 15N-rich presolar SiC grains of type AB ( 14N/ 15N < solar, AB1) and their correlated Sr and Ba isotope ratios when available. Of the 16 AB1 grains, 8 show s-process Mo isotopic compositions, together with s-process Ba and/or Sr isotopic compositions. We found that a higher percentage of AB1 grains show anomalous isotopic compositions than that of AB2 grains ( 14N/ 15N > solar), thus providing further support to the division of the two AB subgroups recently proposed by Liu et al., who showed that AB1 grains most likelymore » originated from Type II supernovae (SNe) with explosive H burning. Comparison of the Sr, Mo, and Ba isotopic compositions of the AB1 grains with SN model predictions indicates that the s-process isotopic compositions of AB1 grains resulted from neutron-capture processes occurring during the progenitor massive stars' pre-SN evolution rather than from an explosive neutron-capture process. Finally, in addition, the observations of (1) explosive H burning occurring in the C-rich regions of the progenitor SNe of X grains as suggested by the isotopic compositions of X grains, and (2) explosive H burning occurring both at the bottom of the He/C zone and at the top of the He/N zone as suggested by model simulations, imply that explosive H burning is a common phenomenon in outer SN zones.« less

Surface functionalized Cu2Zn1- x Cd x SnS4 quinternary alloyed nanostructure for DNA sensing

NASA Astrophysics Data System (ADS)

Ibraheam, A. S.; Al-Douri, Y.; Voon, C. H.; Foo, K. L.; Azizah, N.; Gopinath, S. C. B.; Ameri, M.; Ibrahim, Sattar S.

2017-03-01

A sensing plate of extended Cu2Zn1- x Cd x SnS4 quinternary alloy nanostructures, fabricated on an oxidized silicon substrate by the sol-gel method, is reported in this paper. The fabricated device was characterized and analyzed via field emission-scanning electron microscopy, X-ray diffraction (XRD), and photoluminescence (PL). The XRD peaks shifted towards the lower angle side alongside increasing concentration of cadmium. The average diameter of the Cu2Zn1- x Cd x SnS4 quinternary alloy nanostructures falls between 21.55 and 43.12 nm, while the shift of the PL bandgap was from 1.81 eV ( x = 0) to 1.72 eV ( x = 1). The resulting Cu2Zn1- x Cd x SnS4 quinternary alloy nanostructures components were functionalized with oligonucleotides probe DNA molecules and interacted with the target, exhibiting good sensing capabilities due to its large surface-to-volume ratio. The fabrication, immobilization, and hybridization processes were analyzed via representative current-voltage ( I- V) plots. Its electrical profile shows that the device is capable to distinguish biomolecules. Its high performance was evident from the linear relationship between the probe DNA from cervical cancer and the target DNA, showing its applicability for medical applications.

Evolution of ground-state wave function in CeCoIn5 upon Cd or Sn doping

NASA Astrophysics Data System (ADS)

Chen, K.; Strigari, F.; Sundermann, M.; Hu, Z.; Fisk, Z.; Bauer, E. D.; Rosa, P. F. S.; Sarrao, J. L.; Thompson, J. D.; Herrero-Martin, J.; Pellegrin, E.; Betto, D.; Kummer, K.; Tanaka, A.; Wirth, S.; Severing, A.

2018-01-01

We present linear polarization-dependent soft-x-ray absorption spectroscopy data at the Ce M4 ,5 edges of Cd- and Sn-doped CeCoIn5. The 4 f ground-state wave functions have been determined for their superconducting, antiferromagnetic, and paramagnetic ground states. The absence of changes in the wave functions in CeCo (In1-xCdx) 5 suggests that the 4 f -conduction-electron (c f ) hybridization is not affected by global Cd doping, thus supporting the interpretation of magnetic droplets nucleating long-range magnetic order. This is contrasted by changes in the wave function due to Sn substitution. Increasing Sn in CeCo (In1-ySny) 5 compresses the 4 f orbitals into the tetragonal plane of these materials, suggesting enhanced c f hybridization with the in-plane In(1) atoms and a homogeneous altering of the electronic structure. As these experiments show, the 4 f wave functions are a very sensitive probe of small changes in the hybridization of 4 f and conduction electrons, even conveying information about direction dependencies.

Processing and nanostructure influences on mechanical properties of thermoelectric materials

NASA Astrophysics Data System (ADS)

Schmidt, Robert David

Thermoelectric (TE) materials are materials that can generate an electric current from a thermal gradient, with possible service in recovery of waste heat such as engine exhaust. Significant progress has been made in improving TE conversion efficiency, typically reported according to the figure of merit, ZT, with several recent papers publishing ZT values above 2. Furthermore, cost reductions may be made by the use of lower cost elements such as Mg, Si, Sn, Pb, Se and S in TE materials, while achieving ZT values between 1.3 and 1.8. To be used in a device, the thermoelectric material must be able to withstand the applied thermal and mechanical forces without failure. However, these materials are brittle, with low fracture toughness typically less than 1.5 MPa-m1/2, and often less than 0.5 MPa-m1/2. For comparison, window glass is approximately 0.75 MPa-m1/2. They have been optimized with nanoprecipitates, nanoparticles, doping, alterations in stoichiometry, powder processing and other techniques, all of which may alter the mechanical properties. In this study, the effect of SiC nanoparticle additions in Mg2Si, SnTe and Ag nanoparticle additions in the skutterudite Ba0.3Co 4Sb12 on the elastic moduli, hardness and fracture toughness are measured. Large changes (˜20%) in the elastic moduli in SnTe 1+x as a function of x at 0 and 0.016 are shown. The effect on mechanical properties of doping and precipitates of CdS or ZnS in a PbS or PbSe matrix have been reported. Changes in sintering behavior of the skutterudite with the Ag nanoparticle additions were explored. Possible liquid phase sintering, with associated benefits in lower processing temperature, faster densification and lower cost, has been shown. A technique has been proposed for determining additional liquid phase sintering aids in other TE materials. The effects of porosity, grain size, powder processing method, and sintering method were explored with YbAl3 and Ba0.3Co4Sb 12, with the porosity dependence of the elastic moduli reported. Only one other TE material has the porosity dependence of the elastic moduli previously reported in the literature, lead-antimony-silver-tellurium (LAST), and the effect of different powder processing and sintering methods has never been reported previously on TE materials.

Biogeochemical characteristics of Rosa canina grown in hydrothermally contaminated soils of the Gümüşhane Province, Northeast Turkey.

PubMed

Vural, Alaaddin

2015-08-01

Kırkpavli alteration area (Gümüşhane, Northeast Turkey) is contaminated by heavy metals such as Cd, Pb, As, Cu and Zn. The quantity of accumulation of heavy metal trace elements and macroelements in 32 leaves of Rosa canina of the Kırkpavli alteration area has been studied within the scope of geochemical studies. Element contents of samples were assessed using various parameters including descriptive statistics, factor analysis, correlation coefficients and bioaccumulation factor. Concentrations were detected in the acceptable range for Mo, Cu, Pb, Ni, As, Cd, Sb, P, Ti, Na, Se and Sn. Concentrations of Co, Mn, Ba and Hg were detected close to the acceptable values, whereas Zn, Fe, Sr, V, Ca, Cr, Mg, B, Al, K, W, Sc, Cs and Rb concentrations were detected above the acceptable values. Principal component analysis was used to identify the elements that have a close relationship with each other and/or similar origins. It has been concluded that Zn, Cu, As and Mo content of the plant were related to hydrothermal alteration process and they behaved together, whereas Mn and Fe were especially products of weathering conditions, also behaved together. In terms of macroelements, Ca, Mg and Na had similar behaviour, while P and K had the same correlation.

Design and exploration of semiconductors from first principles: A review of recent advances

NASA Astrophysics Data System (ADS)

Oba, Fumiyasu; Kumagai, Yu

2018-06-01

Recent first-principles approaches to semiconductors are reviewed, with an emphasis on theoretical insight into emerging materials and in silico exploration of as-yet-unreported materials. As relevant theory and methodologies have developed, along with computer performance, it is now feasible to predict a variety of material properties ab initio at the practical level of accuracy required for detailed understanding and elaborate design of semiconductors; these material properties include (i) fundamental bulk properties such as band gaps, effective masses, dielectric constants, and optical absorption coefficients; (ii) the properties of point defects, including native defects, residual impurities, and dopants, such as donor, acceptor, and deep-trap levels, and formation energies, which determine the carrier type and density; and (iii) absolute and relative band positions, including ionization potentials and electron affinities at semiconductor surfaces, band offsets at heterointerfaces between dissimilar semiconductors, and Schottky barrier heights at metal–semiconductor interfaces, which are often discussed systematically using band alignment or lineup diagrams. These predictions from first principles have made it possible to elucidate the characteristics of semiconductors used in industry, including group III–V compounds such as GaN, GaP, and GaAs and their alloys with related Al and In compounds; amorphous oxides, represented by In–Ga–Zn–O transparent conductive oxides (TCOs), represented by In2O3, SnO2, and ZnO; and photovoltaic absorber and buffer layer materials such as CdTe and CdS among group II–VI compounds and chalcopyrite CuInSe2, CuGaSe2, and CuIn1‑ x Ga x Se2 (CIGS) alloys, in addition to the prototypical elemental semiconductors Si and Ge. Semiconductors attracting renewed or emerging interest have also been investigated, for instance, divalent tin compounds, including SnO and SnS; wurtzite-derived ternary compounds such as ZnSnN2 and CuGaO2; perovskite oxides such as SrTiO3 and BaSnO3; and organic–inorganic hybrid perovskites, represented by CH3NH3PbI3. Moreover, the deployment of first-principles calculations allows us to predict the crystal structure, stability, and properties of as-yet-unreported materials. Promising materials have been explored via high-throughput screening within either publicly available computational databases or unexplored composition and structure space. Reported examples include the identification of nitride semiconductors, TCOs, solar cell photoabsorber materials, and photocatalysts, some of which have been experimentally verified. Machine learning in combination with first-principles calculations has emerged recently as a technique to accelerate and enhance in silico screening. A blend of computation and experimentation with data science toward the development of materials is often referred to as materials informatics and is currently attracting growing interest.

Biomonitoring of 30 trace elements in urine of children and adults by ICP-MS.

PubMed

Heitland, Peter; Köster, Helmut D

2006-03-01

The paper provides physicians and clinical chemists with statistical data (concentration ranges, geometric mean values, selected percentiles, etc.) about 30 urinary trace elements in order to determine whether people have trace element deficiencies or have been exposed to higher elemental concentrations. Morning urine samples of 72 children and 87 adults from two geographical areas of Germany were collected and the elements Li, Be, V, Cr, Mn, Ni, Co, Cu, Zn, Ga, As, Se, Rb, Sr, Mo, Rh, Pd, Ag, Cd, In, Sn, Sb, Cs, Ba, Pt, Au, Pb, Tl, Bi and U were determined by inductively coupled plasma mass spectrometry (ICP-MS) with a new octopole based collision/reaction cell. The urine samples were analysed directly after a simple 1/5 (V/V) dilution with deionised water and nitric acid. Information on exposure conditions of all human subjects were collected by questionnaire-based interviews. The described concentration data down to the ng/l range are very useful for the formulation of reference values. For some elements either new data are described (e.g., for V, Ga, In, Bi, Rh, Mn) or differences to earlier studies were found (e.g., for Be, As). For other elements (e.g., Sb, Se, Mo, Ba, Cu, Zn, Li) our results are in good correlation with previous studies and also complemented with urinary trace element concentrations for children.

Cosmic-ray abundances of the even charge elements from Sn-50 to Ce-58 measured on HEAO-3

NASA Technical Reports Server (NTRS)

Stone, E. C.; Garrard, T. L.; Krombel, K. E.; Binns, W. R.; Israel, M. H.; Klarmann, J.; Brewster, N. R.; Fickle, R. K.; Waddington, C. J.

1983-01-01

Elements with even atomic number (Z) in the interval Z = 50-58 have been resolved in the cosmic radiation using the Heavy Nuclei Experiment on the HEAO-3 satellite. The observation that Sn-50 and Ba-56 are more abundant than Te-52 and Xe-54 indicates a substantial s-process contribution to the cosmic ray source. A significant abundance of Ce-58 provides further support for this finding.

Growth and characterization of PbSe and Pb{sub 1{minus}x}Sn{sub x}Se layers on Si (100)

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

Sachar, H.K.; Chao, I.; Fang, X.M.

1998-12-31

Crack-free layers of PbSe were grown on Si (100) by a combination of liquid phase epitaxy (LPE) and molecular beam epitaxy (MBE) techniques. The PbSe layer was grown by LPE on Si(100) using a MBE-grown PbSe/BaF{sub 2}/CaF{sub 2} buffer layer structure. Pb{sub 1{minus}x}Sn{sub x}Se layers with tin contents in the liquid growth solution equal to 3%, 5%, 6%, 7%, and 10%, respectively, were also grown by LPE on Si(100) substrates using similar buffer layer structures. The LPE-grown PbSe and Pb{sub 1{minus}x}Sn{sub x}Se layers were characterized by optical Nomarski microscopy, X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and scanning electronmore » microscopy (SEM). Optical Nomarski characterization of the layers revealed their excellent surface morphologies and good growth solution wipe-offs. FTIR transmission experiments showed that the absorption edge of the Pb{sub 1{minus}x}Sn{sub x}Se layers shifted to lower energies with increasing tin contents. The PbSe epilayers were also lifted-off from the Si substrate by dissolving the MBE-grown BaF{sub 2} buffer layer. SEM micrographs of the cleaved edges revealed that the lifted-off layers formed structures suitable for laser fabrication.« less

Cd in SnO: Probing structural effects on the electronic structure of doped oxide semiconductors through the electric field gradient at the Cd nucleus

NASA Astrophysics Data System (ADS)

Errico, Leonardo A.; Rentería, Mario; Petrilli, Helena M.

2007-04-01

We perform an ab initio study of the electric field gradient (EFG) at the nucleus of Cd impurities at substitutional Sn sites in crystalline SnO. The full-potential linearized-augmented plane wave and the projector augmented wave methods used here allow us to treat the electronic structure of the doped system and the atomic relaxations introduced by the impurities in the host in a fully self-consistent way using a supercell approach in a state-of-the-art way. Effects of the impurity charge state on the electronic and structural properties are also discussed. Since the EFG is a very subtle quantity, its determination is very useful to probe ground-state properties such as the charge density. We show that the EFG is very sensitive to structural relaxations induced by the impurity. Our theoretical predictions are compared with available experimental results.

Effect of Silicon on Activity Coefficients of P, Bl, CD, SN, and AG in Liquid Fe-Si, and Implications for Differentiation and Core Formation

NASA Technical Reports Server (NTRS)

Righter, K.; Pando, K.; Ross, D. K.

2017-01-01

Cores of differentiated bodies (Earth, Mars, Mercury, Moon, Vesta) contain light elements such as S, C, Si, and O. We have previously measured small effects of Si on metal-silicate partitioning of Ni and Co [1,2], and larger effects for Mo, Ge, Sb, As [2]. The effect of Si on many siderophile elements could be an important, and as yet unquantified, influence on the core-mantle partitioning of SE. Here we report new experiments designed to quantify the effect of Si on the partitioning of Bi, Cd, Sn, Ag, and P between metal and silicate melt. The results will be applied to Earth, Mars, Mercury, Moon, and Vesta, for which we have excellent constraints on the mantle Bi, Cd, Sn, Ag, and P concentrations from mantle and/or basalt samples.

Effect of Silicon on Activity Coefficients of P, Bi, Cd, Sn, and Ag in Liquid Fe-Si, and Implications for Core Formation

NASA Technical Reports Server (NTRS)

Righter, K.; Pando, K.; Ross, D. K.; Righter, M.; Lapen, T. J.

2018-01-01

Cores of differentiated bodies (Earth, Mars, Mercury, Moon, Vesta) contain light elements such as S, C, Si, and O. We have previously measured small effects of Si on Ni and Co, and larger effects on Mo, Ge, Sb, As metal/silicate partitioning. The effect of Si on metal-silicate partitioning has been quantified for many siderophile elements, but there are a few key elements for which the effects are not yet quantified. Here we report new experiments designed to quantify the effect of Si on the partitioning of Bi, Cd, Sn, Ag, and P between metal and silicate melt. The results will be applied to Earth, Mars, Moon, and Vesta, for which we have good constraints on the mantle Bi, Cd, Sn, Ag, and P concentrations from mantle and/or basalt samples.

Growth of wurtzite CdTe nanowires on fluorine-doped tin oxide glass substrates and room-temperature bandgap parameter determination

NASA Astrophysics Data System (ADS)

Choi, Seon Bin; Song, Man Suk; Kim, Yong

2018-04-01

The growth of CdTe nanowires, catalyzed by Sn, was achieved on fluorine-doped tin oxide glass by physical vapor transport. CdTe nanowires grew along the 〈0001〉 direction, with a very rare and phase-pure wurtzite structure, at 290 °C. CdTe nanowires grew under Te-limited conditions by forming SnTe nanostructures in the catalysts and the wurtzite structure was energetically favored. By polarization-dependent and power-dependent micro-photoluminescence measurements of individual nanowires, heavy and light hole-related transitions could be differentiated, and the fundamental bandgap of wurtzite CdTe at room temperature was determined to be 1.562 eV, which was 52 meV higher than that of zinc-blende CdTe. From the analysis of doublet photoluminescence spectra, the valence band splitting energy between heavy hole and light hole bands was estimated to be 43 meV.

Characteristics of size-fractionated atmospheric metals and water-soluble metals in two typical episodes in Beijing

NASA Astrophysics Data System (ADS)

Wang, Qingqing; Ma, Yongliang; Tan, Jihua; Zheng, Naijia; Duan, Jingchun; Sun, Yele; He, Kebin; Zhang, Yuanxun

2015-10-01

The abundance and behaviour of metals and water-soluble metals (V, Cr, Mn, Fe, Cu, Zn, As, Sr, Ag, Cd, Sn, Sb, Ba and Pb) in size-fractionated aerosols were investigated during two typical episodes in Beijing. Water-soluble inorganic ions (Na+, K+, Mg2+, Ca2+, NH4+, F-, Cl-, SO42- and NO3-) were also measured. Atmospheric metals and water-soluble metals were both found at high levels; for PM2.5, average As, Cr, Cd, Cu, Mn and Pb concentrations were 14.8, 203.3, 2.5, 18.5, 42.6 and 135.3 ng/m3, respectively, and their water-soluble components were 11.1, 1.7, 2.4, 14.5, 19.8 and 97.8 ng/m3, respectively. Daily concentrations of atmospheric metals and water-soluble metals were generally in accordance with particle mass. The highest concentrations of metals and water-soluble metals were generally located in coarse mode and droplet mode, respectively. The lowest mass of metals and water-soluble metals was mostly in Aitken mode. The water solubility of all metals was low in Aitken and coarse modes, indicating that freshly emitted metals have low solubility. Metal water solubility generally increased with the decrease in particle size in the range of 0.26-10 μm. The water solubility of metals for PM10 was: 50% ≤ Cd, As, Sb, Pb; 26% < V, Mn, Cu, Zn and Sr ≤ 50%; others ≤20%. Most metals, water-soluble metals and their water solubility increased when polluted air mass came from the near west, near north-west, south-west and south-east of the mainland, and decreased when clean air mass came from the far north-west and far due south. The influence of dust-storms and clean days on water-soluble metals and size distribution was significant; however, the influence of rainfall was negligible. Aerosols with high concentrations of SO42-, K+ and NH4+ might indicate increased potential for human health effects because of their high correlation with water-soluble metals. Industrial emissions contribute substantially to water-soluble metal pollution as water-soluble metals show higher correlation with Cd, Sn, Sb and Pb that are mainly derived from industrial sources.

Investigation of major and trace element distribution in the extraction-transesterification process of fatty acid methyl esters from microalgae Chlorella sp.

PubMed

Soares, Bruno M; Vieira, Augusto A; Lemões, Juliana S; Santos, Clarissa M M; Mesko, Márcia F; Primel, Ednei G; Montes D'Oca, Marcelo G; Duarte, Fábio A

2012-04-01

This work reports, for the first time, the determination of major and trace elements (Al, As, Ba, Ca, Cd, Co, Cr, Cu, Fe, K, La, Mg, Mn, Mo, Na, Ni, P, Pb, S, Se, Sn, Sr, Ti, Tl, U, V, and Zn) in the fractions of the synthesis of fatty acid methyl esters (FAMEs). These include fresh microalgae, residual biomass, lipid fraction, crude FAMEs, insoluble fraction and purified FAMEs from microalgae Chlorella sp. A microwave-assisted digestion procedure in closed vessels was applied for sample digestion and subsequent element determination by inductively coupled plasma-based techniques. The proposed method was suitable for the multielement determination in FAMEs and its fractions obtained from microalgae. The element concentration was compared with results found in the literature and a careful discussion about the use of residual biomass for different applications was performed. Copyright © 2012 Elsevier Ltd. All rights reserved.

[Determination of 24 metal elements and their compounds in air of workplace by ICP-AES].

PubMed

Wang, Xiang; Qiu, Jianguo; Zhao, Zhonglin; Guo, Ying

2014-06-01

To establish a method for determination of the levels of 24 metal elements and their compounds in the air of workplace by inductively coupled plasma-atomic emission spectroscopy (ICP- AES). Sampling filters were digested by microwave, and diluted to 25 ml. Twenty-four elements (Mg, Ni, K, Mo, Zn, Ca, Ba, Pb, Mn, Cd, Cr, Co, Cu, Sr, Bi, Tl, Sn, Li, Sb, Zr, In, V, Y, and Be) were simultaneously measured by ICP-AES. The detection limits for 24 elements were 0.001∼0.029 mg/L; liner correlation coefficient r values were all equal to or above 0.9994; the relative standard derivations were less than 5%; the recovery rates were 91.2%∼103.9%; the degradation rates in 7 days were less than 9.7%. ICP-AES technique is a simple, rapid, accurate, and reliable method, which can be used to measure 24 metal elements and their compounds in the air of workplace.

[Study on the determination of 28 inorganic elements in sunflower seeds by ICP-OES/ICP-MS].

PubMed

Liu, Hong-Wei; Qin, Zong-Hui; Xie, Hua-Lin; Cao, Shu

2013-01-01

The present paper describes a simple method for the determination of trace elements in sunflower seeds by using inductively coupled plasma optical emission spectrometry (ICP-OES) and inductively coupled plasma spectrometry (ICP-MS). HNO3 + H2O2 were used to achieve the complete decomposition of the organic matrix in a closed-vessel microwave oven. The contents of 10 trace elements (Al, B, Ca, Fe, K, Mg, Na, Si, P and S) in sunflower seeds were determined by ICP-OES while 18 trace elements (As, Ba, Cd, Co, Cr, Cu, Li, Mn, Mo, Ni, Pb, Rb, Sr, Sn, Sb, Ti, V and Zn) were determined by ICP-MS. The rice reference material (GBW10045) was used as standard reference materials. The results showed a good agreement between measured and certified values for all analytes. The concentrations of necessary micro elements Ca, K, Mg, P and S were higher. This method was simple, sensitive and precise and can perform simultaneous multi-elements determination of sunflower seeds.

Functional Cementitious Composites for Pyroelectric Applications

NASA Astrophysics Data System (ADS)

Srikanth, K. S.; Patel, Satyanarayan; Vaish, Rahul

2018-04-01

We have synthesized Ba0.85Ca0.15Zr0.10Ti0.88Sn0.02O3 (BCZT-Sn)-cement composites. They were prepared as BCZT-Sn to cement ratios of 90-10% and 85-15% by weight. The larger fraction of BCZT-Sn ceramic was used to minimize the losses in the composites. The open circuit voltage was found to be 0.75 V, 0.56 V and 0.4 V for pure, 10% and 15% cement composites, respectively. The voltage and current were also measured across resistances of 1 and 3 MΩ, and the obtained voltages were lower for composites compared to pure BCZT-Sn. Nonetheless, they remain promising candidates over traditional pyroelectric materials for device applications owing to their advantages, such as (1) these composites can be made without any sintering process and (2) they can be made in any shape and size. We also studied relative permittivity, which influences performance of pyroelectric devices.

Altered Natural Killer Cell Subsets in Seropositive Arthralgia and Early Rheumatoid Arthritis Are Associated with Autoantibody Status.

PubMed

Chalan, Paulina; Bijzet, Johan; Kroesen, Bart-Jan; Boots, Annemieke M H; Brouwer, Elisabeth

2016-06-01

The role of natural killer (NK) cells in the immunopathogenesis of rheumatoid arthritis (RA) is unclear. Therefore, numerical and functional alterations of CD56(dim) and CD56(bright) NK cells in the early stages of RA development were studied. Whole blood samples from newly diagnosed, treatment-naive, seropositive (SP) and seronegative (SN) patients with RA (SP RA, n = 45 and SN RA, n = 12), patients with SP arthralgia (n = 30), and healthy controls (HC, n = 41) were assessed for numbers and frequencies of T cells, B cells, and NK cells. SP status was defined as positive for anticyclic citrullinated peptide antibodies (anti-CCP) and/or rheumatoid factor (RF). Peripheral blood mononuclear cells were used for further analysis of NK cell phenotype and function. Total NK cell numbers were decreased in SP RA and SP arthralgia but not in SN RA. Also, NK cells from SP RA showed a decreased potency for interferon-γ (IFN-γ) production. A selective decrease of CD56(dim), but not CD56(bright), NK cells in SP RA and SP arthralgia was observed. This prompted investigation of CD16 (FcγRIIIa) triggering in NK cell apoptosis and cytokine expression. In vitro, CD16 triggering induced apoptosis of CD56(dim) but not CD56(bright) NK cells from HC. This apoptosis was augmented by adding interleukin 2 (IL-2). Also, CD16 triggering in the presence of IL-2 stimulated IFN-γ and tumor necrosis factor-α expression by CD56(dim) NK cells. The decline of CD56(dim) NK cells in SP arthralgia and SP RA and the in vitro apoptosis of CD56(dim) NK cells upon CD16 triggering suggest a functional role of immunoglobulin G-containing autoantibody (anti-CCP and/or RF)-immune complexes in this process. Moreover, CD16-triggered cytokine production by CD56(dim) NK cells may contribute to systemic inflammation as seen in SP arthralgia and SP RA.

High-field transport properties of a P-doped BaFe2As2 film on technical substrate.

PubMed

Iida, Kazumasa; Sato, Hikaru; Tarantini, Chiara; Hänisch, Jens; Jaroszynski, Jan; Hiramatsu, Hidenori; Holzapfel, Bernhard; Hosono, Hideo

2017-01-12

High temperature (high-T c ) superconductors like cuprates have superior critical current properties in magnetic fields over other superconductors. However, superconducting wires for high-field-magnet applications are still dominated by low-T c Nb 3 Sn due probably to cost and processing issues. The recent discovery of a second class of high-T c materials, Fe-based superconductors, may provide another option for high-field-magnet wires. In particular, AEFe 2 As 2 (AE: Alkali earth elements, AE-122) is one of the best candidates for high-field-magnet applications because of its high upper critical field, H c2 , moderate H c2 anisotropy, and intermediate T c . Here we report on in-field transport properties of P-doped BaFe 2 As 2 (Ba-122) thin films grown on technical substrates by pulsed laser deposition. The P-doped Ba-122 coated conductor exceeds a transport J c of 10 5  A/cm 2 at 15 T for main crystallographic directions of the applied field, which is favourable for practical applications. Our P-doped Ba-122 coated conductors show a superior in-field J c over MgB 2 and NbTi, and a comparable level to Nb 3 Sn above 20 T. By analysing the E - J curves for determining J c , a non-Ohmic linear differential signature is observed at low field due to flux flow along the grain boundaries. However, grain boundaries work as flux pinning centres as demonstrated by the pinning force analysis.

Investigation of activation cross sections of deuteron induced reactions on indium up to 40 MeV for production of a 113 Sn/113m In generator.

PubMed

Tárkányi, F; Hermanne, A; Király, B; Takács, S; Ditrói, F; Baba, M; Ignatyuk, A V

2011-01-01

(113)Sn (115.09 d) is the parent nuclide of the (113)Sn/(113m)In generator system. (113m)In (99.476 min) is used in diagnostic nuclear medicine and as an Auger-electron emitter is a candidate for internal radiotherapy. Excitation functions of the (nat)In(d,x) (113 mg)Sn, (116 m)In, (ind115m)In, (114m)In, (ind113m)In, (cum111)In, (115g)Cd,(111m)Cd reactions were measured up to 40 MeV for the first time. The experimental results were compared with the curves calculated with the ALICE-D and EMPIRE-D theoretical model codes and curves given in the EAF-2007 and TENDL-2009 databases. Thick target yields, impurity levels and specific activities for the optimal energy range were deduced and compared with the same parameters of other charged particle production routes of (113)Sn. Copyright © 2010 Elsevier Ltd. All rights reserved.

Materials Data on Ba(ZnSn)2 (SG:129) by Materials Project

DOE Data Explorer

Kristin Persson

2015-02-09

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on Ba(MnSn)2 (SG:139) by Materials Project

DOE Data Explorer

Kristin Persson

2016-02-05

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on Ba(MgSn)2 (SG:129) by Materials Project

DOE Data Explorer

Kristin Persson

2016-02-05

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Colloidally prepared La-doped BaSnO3 electrodes for efficient, photostable perovskite solar cells

NASA Astrophysics Data System (ADS)

Shin, Seong Sik; Yeom, Eun Joo; Yang, Woon Seok; Hur, Seyoon; Kim, Min Gyu; Im, Jino; Seo, Jangwon; Noh, Jun Hong; Seok, Sang Il

2017-04-01

Perovskite solar cells (PSCs) exceeding a power conversion efficiency (PCE) of 20% have mainly been demonstrated by using mesoporous titanium dioxide (mp-TiO2) as an electron-transporting layer. However, TiO2 can reduce the stability of PSCs under illumination (including ultraviolet light). Lanthanum (La)-doped BaSnO3 (LBSO) perovskite would be an ideal replacement given its electron mobility and electronic structure, but LBSO cannot be synthesized as well-dispersible fine particles or crystallized below 500°C. We report a superoxide colloidal solution route for preparing a LBSO electrode under very mild conditions (below 300°C). The PSCs fabricated with LBSO and methylammonium lead iodide (MAPbI3) show a steady-state power conversion efficiency of 21.2%, versus 19.7% for a mp-TiO2 device. The LBSO-based PSCs could retain 93% of their initial performance after 1000 hours of full-Sun illumination.

Structural Properties of Barium Stannate.

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

Phelan, D.; Han, F.; Lopez-Bezanilla, A.

2018-06-01

BaSnO3 has attracted attention as a transparent conducting oxide with high room temperature carrier mobility. We report a series of measurements that were carried out to assess the structure of BaSnO3 over a variety of length scales. Measurements included single crystal neutron and x-ray diffraction, Rietveld and pair distribution analysis of neutron powder diffraction, Raman scattering, and high-pressure x-ray diffraction. Results from the various diffraction probes indicate that both the long-range and local structures are consistent with the cubic symmetry. The diffraction data under pressure was consistent with a robustly cubic phase up to 48.9 GPa, which is supported bymore » density functional calculations. Additionally, transverse phonon velocities were determined from measured dispersion of the transverse acoustic phonon branches, the results of which are in good agreement with previous theoretical estimates and ultrasound measurements.« less

Investigation of the structural, optical and electrical transport properties of n-doped CdSe thin films

NASA Astrophysics Data System (ADS)

Ali, H. M.; Abd El-Ghanny, H. A.

2008-04-01

Thin films of (CdSe)90(In2O3)10, (CdSe)90(SnO2)10 and (CdSe)90(ZnO)10 have been grown on glass substrates by the electron beam evaporation technique. It has been found that undoped and Sn or In doped CdSe films have two direct transitions corresponding to the energy gaps Eg and Eg+Δ due to spin-orbit splitting of the valence band. The electrical resistivity for n-doped CdSe thin films as a function of light exposure time has been studied. The influence of doping on the structural, optical and electrical characteristics of In doped CdSe films has been investigated in detail. The lattice parameters, grain size and dislocation were determined from x-ray diffraction patterns. The optical transmittance and band gap of these films were determined using a double beam spectrophotometer. The DC conductivity of the films was measured in vacuum using a two-probe technique.

Search for double beta decay of 116Cd with enriched 116CdWO4 crystal scintillators (Aurora experiment)

NASA Astrophysics Data System (ADS)

Danevich, F. A.; Barabash, A. S.; Belli, P.; Bernabei, R.; Cappella, F.; Caracciolo, V.; Cerulli, R.; Chernyak, D. M.; d'Angelo, S.; Incicchitti, A.; Kobychev, V. V.; Konovalov, S. I.; Laubenstein, M.; Mokina, V. M.; Poda, D. V.; Polischuk, O. G.; Shlegel, V. N.; Tretyak, V. I.; Umatov, V. I.

2016-05-01

The Aurora experiment to investigate double beta decay of 116 Cd with the help of 1.162 kg cadmium tungstate crystal scintillators enriched in 116 Cd to 82% is in progress at the Gran Sasso Underground Laboratory. The half-life of 116 Cd relatively to the two neutrino double beta decay is measured with the highest up-to-date accuracy T1/2 = (2.62 ± 0.14) × 1019 yr. The sensitivity of the experiment to the neutrinoless double beta decay of 116 Cd to the ground state of 116 Sn is estimated as T1/2 ≥ 1.9 × 1023 yr at 90% CL, which corresponds to the effective Majorana neutrino mass limit (mv) ≤ (1.2 — 1.8) eV. New limits are obtained for the double beta decay of 116 Cd to the excited levels of 116 Sn, and for the neutrinoless double beta decay with emission of majorons.

Default mode network activity in male adolescents with conduct and substance use disorder*

PubMed Central

Dalwani, Manish S.; Tregellas, Jason R.; Andrews-Hanna, Jessica R.; Mikulich-Gilbertson, Susan K.; Raymond, Kristen M.; Banich, Marie T.; Crowley, Thomas J.; Sakai, Joseph T.

2013-01-01

Background Adolescents with conduct disorder (CD) and substance use disorders (SUD) experience difficulty evaluating and regulating their behavior in anticipation of future consequences. Given the role of the brain's default mode network (DMN) in self-reflection and future thought, this study investigates whether DMN is altered in adolescents with CD and SUD, relative to controls. Methods Twenty adolescent males with CD and SUD and 20 male controls of similar ages underwent functional magnetic resonance imaging as they completed a risk-taking decision task. We used independent component analysis as a data-driven approach to identify the DMN spatial component in individual subjects. DMN activity was then compared between groups. Results Compared to controls, patients showed reduced activity in superior, medial and middle frontal gyrus (Brodmann area (BA) 10), retrosplenial cortex (BA 30) and lingual gyrus (BA 18), and bilateral middle temporal gryus (BA 21/22) - DMN regions thought to support self-referential evaluation, memory, foresight, and perspective taking. Furthermore, this pattern of reduced activity in patients remained robust after adjusting for the effects of depression and attention-deficit hyperactivity disorder (ADHD). Conversely, when not adjusting for effects of depression and ADHD, patients demonstrated greater DMN activity than controls solely in the cuneus (BA 19). Conclusions Collectively, these results suggest that comorbid CD and SUD in adolescents is characterized by atypical activity in brain regions thought to play an important role in introspective processing. These functional imbalances in brain networks may provide further insight into the neural underpinnings of conduct and substance use disorders. PMID:24210423

In situ capping for size control of monochalcogenides (ZnS, CdS, and SnS) nanocrystals produced by anaerobic metal-reducing bacteria

DOE PAGES

Jang, Gyoung Gug; Jacobs, Christopher B.; Ivanov, Ilia N.; ...

2015-07-24

Metal monochalcogenide quantum dot nanocrystals of ZnS, CdS and SnS were prepared by anaerobic, metal-reducing bacteria using in situ capping by oleic acid or oleylamine. Furthermore, the capping agent preferentially adsorbs on the surface of the nanocrystal, suppressing the growth process in the early stages, thus leading to production of nanocrystals with a diameter of less than 5 nm.

Indium and Zinc Alloys as Cadmium Brush Plating Replacements

DTIC Science & Technology

2011-05-10

process development Salt Fog Corrosion Resistance 18 Coating Condition First Sign of White Rust First Sign of Red Rust Noticeable Propagation of...coupons] 31 1. Low temperature eutectic : • The Sn-In system eutectic is 244°F at ~48.3 weight % Sn • Cd-In-Sn system eutectic is ~199°F • Good for a

75 FR 80293 - Airworthiness Directives; Eurocopter France Model AS 350 B, BA, B1, B2, B3, and D, and Model...

Federal Register 2010, 2011, 2012, 2013, 2014

2010-12-22

... Airworthiness Directives; Eurocopter France Model AS 350 B, BA, B1, B2, B3, and D, and Model AS355 E, F, F1, F2... identified in the Applicability section, Table 1, of the AD. As published, two part numbers shown in Table 1... corrected to read as follows: Table 1 Component Part No. (P/N) Serial No. (S/N) Main rotor servo-control...

Open-framework micro- and meso-structured chalcogenides and their ion exchange properties

NASA Astrophysics Data System (ADS)

Ding, Nan

2007-12-01

Micro- and meso- structured chalcogenides with open inorganic framework have driven tremendous attention and intense work during the last two decades. They belong to a special category of materials possessing multifunctional potential due to their large void space within the atomic skeletons and the novel physical properties brought by the chalcogen elements. The latter are not generally present in typical open-framework oxides. In addition, because of the different size and electronegativity of the chalcogen elements compared to oxygen, many new structural properties were expected to emerge when the work in this dissertation was undertaken. The major body of this work involves group 13 (e.g. Ga, In) or 14 (e.g. Ge, Sn) elements with chalcogen. Transition metals also are incorporated in a few examples. The first two groups of compounds reported belong to the latter case. Unique structure types have been obtained under hydrothermal conditions via the combination of M (M = Zn, Cd), Sn and Q (Q = S, Se) to build microporous A6M4Sn3Q13 (A = K, Rb) based on truncated penta-supertrahedral cluster [M4Sn4Q 17]10-. More surprisingly, the protonation of K 6Cd4Sn3Se13 led to another new compound K14Cd15Sn12Se46 which possesses a labyrinth-like void space within the compact [Cd15Sn12Se 46]14- anionic skeleton. This structural characteristic leads to an unusual stability of the compound in acid. Both the K6Cd 4Sn3Se13 and K14Cd15Sn 12Se46 are fast ion-exchangers and their K+ ions can be replaced by other alkali metal cations and even H+ for the latter. Other work reported was aimed at the heavier analogs of alumiophosphate, i.e. the open-frameworks based on group 13 (Ga, In), 15 (Sb) and chalcogen elements. Two groups of chalcoantimonates with two-dimensional architectures [M5Sb6S19]5- and polymorphic [M2Sb2Q7]2- (M = Ga, In; Q = S, Se) were obtained. With the help of bulky organic structure-directing agents, large windows were formed in some of these anionic slabs. The windows are aligned through each layer, adding a pseudo-3D feature to the compounds. This leads to excellent ion-exchange properties. More remarkably, these compounds showed exceptional selectivity for Cs+ ions than any other alkali metal and alkaline earth metal cations due to the soft acid (Cs +)/soft base (S2-) attraction and the size discrimination imposed by the open windows within the frameworks. These properties point to a new direction of designing compounds for possible radioactive 137Cs+ remediation. With the even larger surfactant molecules in water, metal cations In 3+, Zn2+ and Cd2+ can connect [SbSe 4]3- clusters via coordination chemistry to form cubic and hexagonal mesophases. In addition to the linking effect, these metal cations also played the role of Lewis acids and partially reduced [SbSe4] 3- to [SbSe3]3-, both of which are present in the long-range ordered mesostructures. Short range order in a mesostuctured chalcogenide was approached, when structurally rigid Chevrel clusters [Re 6Se6Br8]2- were linked by triselenide anions via metathesis. Higher angle Bragg reflections of this compound provided an opportunity to build a structural model for the first time for a chalcogen-based mesophase.

Materials Data on BaAg2SnSe4 (SG:23) by Materials Project

DOE Data Explorer

Kristin Persson

2016-02-10

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on BaAg2SnS4 (SG:23) by Materials Project

DOE Data Explorer

Kristin Persson

2014-07-09

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on BaSi3SnO9 (SG:188) by Materials Project

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

Kristin Persson

2014-11-02

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on BaSn(GeO3)3 (SG:188) by Materials Project

DOE Data Explorer

Kristin Persson

2014-07-09

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on Ba3(SnP2)2 (SG:14) by Materials Project

DOE Data Explorer

Kristin Persson

2014-11-02

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on Ba3(SnAs2)2 (SG:14) by Materials Project

DOE Data Explorer

Kristin Persson

2014-11-02

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on BaSn2S3 (SG:11) by Materials Project

DOE Data Explorer

Kristin Persson

2016-02-04

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

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

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

Body distribution of trace elements in black-tailed gulls from Rishiri Island, Japan: age-dependent accumulation and transfer to feathers and eggs.

PubMed

Agusa, Tetsuro; Matsumoto, Taro; Ikemoto, Tokutaka; Anan, Yasumi; Kubota, Reiji; Yasunaga, Genta; Kunito, Takashi; Tanabe, Shinsuke; Ogi, Haruo; Shibata, Yasuyuki

2005-09-01

Body distribution and maternal transfer of 18 trace elements (V, Cr, Mn, Co, Cu, Zn, Se, Rb, Sr, Mo, Ag, Cd, Sb, Cs, Ba, Hg, Tl, and Pb) to eggs were examined in black-tailed gulls (Larus crassirostris), which were culled in Rishiri Island, Hokkaido Prefecture, Japan. Manganese, Cu, Rb, Mo, and Cd showed the highest levels in liver and kidney, Ag, Sb, and Hg in feather, and V, Sr, and Pb in bone. Maternal transfer rates of trace elements ranged from 0.8% (Cd) to as much as 65% (Tl) of maternal body burden. Large amounts of Sr, Ba, and Tl were transferred to the eggs, though maternal transfer rates of V, Cd, Hg, and Pb were substantially low. It also was observed that Rb, Sr, Cd, Cs, and Ba hardly were excreted into feathers. Concentrations of Co in liver, Ba in liver and kidney, and Mo in liver increased significantly with age, whereas Se in bone and kidney, Hg in kidney, and Cr in feather decreased with age in the known-aged black-tailed gulls (2-20 years old). It also was suggested that feathers might be useful to estimate contamination status of trace elements in birds, especially for Hg on a population basis, although the utility is limited on an individual basis for the black-tailed gulls. To our knowledge, this is the first report on the maternal transfer rate of multielements and also on the usefulness of feathers to estimate contamination status of Hg in birds on a population basis.

ALLOY COMPOSITION FOR NEUTRONIC REACTOR CONTROL RODS

DOEpatents

Lustman, B.; Losco, E.F.; Snyder, H.J.; Eggleston, R.R.

1963-01-22

This invention relates to alloy compositons suitable as cortrol rod material consisting of, by weight, from 85% to 85% Ag, from 2% to 20% In, from up to 10% of Cd, from up to 5% Sn, and from up to 1.5% Al, the amount of each element employed being determined by the equation X + 2Y + 3Z + 3W + 4V = 1.4 and less, where X, Y, Z, W, and V represent the atom fractions of the elements Ag, Cd, In, Al and Sn. (AEC)

Phytoextraction of trace elements by water hyacinth in contaminated area of gold mine tailing.

PubMed

Romanova, Tamara E; Shuvaeva, Olga V; Belchenko, Ludmila A

2016-01-01

The ability of water hyacinth (Eichhornia crassipes) to uptake Ag, Ba, Cd, Mo, and Pb from waters in gold mine tailing area was studied. All experiments were carried out in the field conditions without using of model system. Bioconcentration (BCF) and translocation factors (TF) as well as elements accumulation by plant in different points of tailings-impacted area were evaluated. It has been shown that water hyacinth demonstrates high ability to accumulate Mo, Pb, and Ba with BCF values 24,360 ± 3600, 18,800 ± 2800 and 10,040 ± 1400, respectively and is efficient in translocation of Mo and Cd. The general trend of the plant accumulation ability in relation to the studied elements corresponds to their concentration in the medium. As the distance from tailings increases, concentration of Ag, Ba and Pb in plant decreases more clearly than that of Cd, while the amount of Mo accumulated by plant doesn't drop significantly in accordance with its concentration in water. Under the conditions of the confluence of river Ur and drainage stream Ba and Ag can be considered as potential candidates for phytomining.

Materials Data on Ba2SnSe3F2 (SG:62) by Materials Project

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

Kristin Persson

2014-11-02

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Materials Data on Ba2SnS3F2 (SG:62) by Materials Project

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

Kristin Persson

2014-11-02

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Assessment of 28 trace elements and 17 amino acid levels in muscular tissues of broiler chicken (Gallus gallus) suffering from arsenic trioxide.

PubMed

Li, Si-Wen; He, Ying; Zhao, Hong-Jing; Wang, Yu; Liu, Juan-Juan; Shao, Yi-Zhi; Li, Jing-Lun; Sun, Xiao; Zhang, Li-Na; Xing, Ming-Wei

2017-10-01

The contents of 28 trace elements, 17 amino acid were evaluated in muscular tissues (wings, crureus and pectoralis) of chickens in response to arsenic trioxide (As 2 O 3 ). A total of 200 one-day-old male Hy-line chickens were fed either a commercial diet (C-group) or an As 2 O 3 supplement diet containing 7.5mg/kg (L-group), 15mg/kg (M-group) or 30mg/kg (H-group) As 2 O 3 for 90 days. The elements content was analyzed by inductively coupled plasma mass spectrometry (ICP-MS). Under As 2 O 3 exposure, the concentration of As were elevated 8.87-15.76 fold, 7.93-15.63 fold and 5.94-12.45 fold in wings, crureus and pectoralis compared to the corresponding C-group, respectively. 19 element levels (lithium (Li), magnesium (Mg), aluminum (Al), silicon (Si), kalium (K), vanadium (V), chromium (Cr), manganese (Mn), nickel (Ni), copper (Cu), selenium (Se), strontium (Sr), molybdenum (Mo), cadmium (Cd), tin (Sn), antimony (Sb), barium (Ba), mercury (Hg) and lead (Pb), 9 element levels (K, Co, Ni, Cu, As, Se, Sr, Sn, Ba and Hg) and 4 element levels (Mn, cobalt (Co), As, Sr and Ba) were significantly increased (P < 0.05) in wing, crureus and pectoralis, respectively. 2 element levels (sodium (Na) and zinc (Zn)), 5 element levels (Li, Na, Si, titanium (Ti and Cr), 13 element levels (Li, Na, Mg, K, V, Cr, iron (Fe), Cu, Zn, Mo, Sn, Hg and Pb) were significantly decreased (P < 0.05) in wing muscle, crureus and pectoralis, respectively. Additionally, in crureus and pectoralis, the content of total amino acids (TAA) was no significant alterations in L and M-group and then increased approximately 10.2% and 7.6% in H-group, respectively (P < 0.05). In wings, the level of total amino acids increased approximately 10% in L-group, whereas it showed unchanged in M and H-group compared to the corresponding C-group. We also observed that significantly increased levels of proline, cysteine, aspartic acid, methionine along with decrease in the tyrosine levels in muscular tissues compared to the corresponding C-group. In conclusion, the residual of As in the muscular tissues of chickens were dose-dependent and disrupts trace element homeostasis, amino acids level in muscular tissues of chickens under As 2 O 3 exposure. Additionally, the response (trace elements and amino acids) were different in wing, thigh and pectoral of chick under As 2 O 3 exposure. This study provided references for further study of heavy metal poisoning and may be helpful to understanding the toxicological mechanism of As 2 O 3 exposure in muscular tissues of chickens. Copyright © 2017 Elsevier Inc. All rights reserved.

Health risk assessment of arsenic and heavy metals (Cd, Cu, Co, Pb, and Sn) through consumption of caviar of Acipenser persicus from Southern Caspian Sea.

PubMed

Sobhanardakani, Soheil; Tayebi, Lima; Hosseini, Seyed Vali

2018-01-01

In the current study contents of As, Cd, Cu, Co, Pb, and Sn were determined in the caviar of Persian sturgeon collected from Southern Caspian Sea sampling site. After acid digestion of caviar specimens, the concentrations of elements determined using ICP-OES. The results showed that the mean concentrations (mg kg -1 ) of elements in caviar samples were 0.01 for As, 0.05 for Cd, 1.42 for Cu, 0.01 for Co, 0.01 for Pb, and 0.28 for Sn and for all the elements are significantly lower than the adverse level for the human consumption. Also, health risk index (HRI) values were within the safe limits (HRI < 1). Therefore, there is no potential health risk to adults and children via consumption of caviar. Due to the discharge of hazardous chemicals into the marine ecosystems especially the Caspian Sea, residue analysis of pollutants in the sea foods is recommended.

Reduced interface recombination in Cu{sub 2}ZnSnS{sub 4} solar cells with atomic layer deposition Zn{sub 1−x}Sn{sub x}O{sub y} buffer layers

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

Platzer-Björkman, C.; Frisk, C.; Larsen, J. K.

2015-12-14

Cu{sub 2}ZnSnS{sub 4} (CZTS) solar cells typically include a CdS buffer layer in between the CZTS and ZnO front contact. For sulfide CZTS, with a bandgap around 1.5 eV, the band alignment between CZTS and CdS is not ideal (“cliff-like”), which enhances interface recombination. In this work, we show how a Zn{sub 1−x}Sn{sub x}O{sub y} (ZTO) buffer layer can replace CdS, resulting in improved open circuit voltages (V{sub oc}) for CZTS devices. The ZTO is deposited by atomic layer deposition (ALD), with a process previously developed for Cu(In,Ga)Se{sub 2} solar cells. By varying the ALD process temperature, the position of themore » conduction band minimum of the ZTO is varied in relation to that of CZTS. A ZTO process at 95 °C is found to give higher V{sub oc} and efficiency as compared with the CdS reference devices. For a ZTO process at 120 °C, where the conduction band alignment is expected to be the same as for CdS, the V{sub oc} and efficiency is similar to the CdS reference. Further increase in conduction band minimum by lowering the deposition temperature to 80 °C shows blocking of forward current and reduced fill factor, consistent with barrier formation at the junction. Temperature-dependent current voltage analysis gives an activation energy for recombination of 1.36 eV for the best ZTO device compared with 0.98 eV for CdS. We argue that the V{sub oc} of the best ZTO devices is limited by bulk recombination, in agreement with a room temperature photoluminescence peak at around 1.3 eV for both devices, while the CdS device is limited by interface recombination.« less

Source origin of trace elements in PM from regional background, urban and industrial sites of Spain

NASA Astrophysics Data System (ADS)

Querol, X.; Viana, M.; Alastuey, A.; Amato, F.; Moreno, T.; Castillo, S.; Pey, J.; de la Rosa, J.; Sánchez de la Campa, A.; Artíñano, B.; Salvador, P.; García Dos Santos, S.; Fernández-Patier, R.; Moreno-Grau, S.; Negral, L.; Minguillón, M. C.; Monfort, E.; Gil, J. I.; Inza, A.; Ortega, L. A.; Santamaría, J. M.; Zabalza, J.

Despite their significant role in source apportionment analysis, studies dedicated to the identification of tracer elements of emission sources of atmospheric particulate matter based on air quality data are relatively scarce. The studies describing tracer elements of specific sources currently available in the literature mostly focus on emissions from traffic or large-scale combustion processes (e.g. power plants), but not on specific industrial processes. Furthermore, marker elements are not usually determined at receptor sites, but during emission. In our study, trace element concentrations in PM 10 and PM 2.5 were determined at 33 monitoring stations in Spain throughout the period 1995-2006. Industrial emissions from different forms of metallurgy (steel, stainless steel, copper, zinc), ceramic and petrochemical industries were evaluated. Results obtained at sites with no significant industrial development allowed us to define usual concentration ranges for a number of trace elements in rural and urban background environments. At industrial and traffic hotspots, average trace metal concentrations were highest, exceeding rural background levels by even one order of magnitude in the cases of Cr, Mn, Cu, Zn, As, Sn, W, V, Ni, Cs and Pb. Steel production emissions were linked to high levels of Cr, Mn, Ni, Zn, Mo, Cd, Se and Sn (and probably Pb). Copper metallurgy areas showed high levels of As, Bi, Ga and Cu. Zinc metallurgy was characterised by high levels of Zn and Cd. Glazed ceramic production areas were linked to high levels of Zn, As, Se, Zr, Cs, Tl, Li, Co and Pb. High levels of Ni and V (in association) were tracers of petrochemical plants and/or fuel-oil combustion. At one site under the influence of heavy vessel traffic these elements could be considered tracers (although not exclusively) of shipping emissions. Levels of Zn-Ba and Cu-Sb were relatively high in urban areas when compared with industrialised regions due to tyre and brake abrasion, respectively.

Comparison of the element composition in several plant species and their substrate from a 1500000-km2 area in Northern Europe.

PubMed

Reimann, C; Koller, F; Frengstad, B; Kashulina, G; Niskavaara, H; Englmaier, P

2001-10-20

Leaves of 9 different plant species (terrestrial moss represented by: Hylocomium splendens and Pleurozium schreberi; and 7 species of vascular plants: blueberry, Vaccinium myrtillus; cowberry, Vaccinium titis-idaea; crowberry, Empetrum nigrum; birch, Betula pubescens; willow, Salix spp.; pine, Pinus sylvestris and spruce, Picea abies) have been collected from up to 9 catchments (size 14-50 km2) spread over a 1500000 km2 area in Northern Europe. Soil samples were taken of the O-horizon and of the C-horizon at each plant sample site. All samples were analysed for 38 elements (Ag, Al, As, B, Ba, Be, Bi, Ca, Cd, Co, Cr, Cu, Fe, Hg, K, Li, Mg, Mn, Mo, Na, Ni, P, Pb, Rb, S, Sb, Sc, Se, Si, Sn, Sr, Th, Tl, U, V, Y, Zn and Zr) by ICP-MS, ICP-AES or CV-AAS (for Hg-analysis) techniques. The concentrations of some elements vary significantly between different plants (e.g. Cd, V, Co, Pb, Ba and Y). Other elements show surprisingly similar levels in all plants (e.g. Rb, S, Cu, K, Ca, P and Mg). Each group of plants (moss, shrubs, deciduous and conifers) shows a common behaviour for some elements. Each plant accumulates or excludes some selected elements. Compared to the C-horizon, a number of elements (S, K, B, Ca, P and Mn) are clearly enriched in plants. Elements showing very low plant/C-horizon ratios (e.g. Zr, Th, U, Y, Fe, Li and Al) can be used as an indicator of minerogenic dust. The plant/O-horizon and O-horizon/C-horizon ratios show that some elements are accumulated in the O-horizon (e.g. Pb, Bi, As, Ag, Sb). Airborne organic material attached to the leaves can thus, result in high values of these elements without any pollution source.

Use of rotation to suppress thermosolutal convection in directionally solidified binary alloys

NASA Technical Reports Server (NTRS)

Pearlstein, Arne J.

1994-01-01

Effects of rotation on onset of convection during plane-front directional solidification of Pb-Sn and the pseudobinary system mercury cadmium telluride (Hg(1-x)Cd(x)Te), and on dendritic solidification of Pb-Sn have been studied by means of linear stability analysis. Incorporating Coriolis and centrifugal accelerations into the momentum equation of Coriell et al., we find that under realistic processing conditions, a large degree of stabilization can be achieved using modest rotation rates for both Pb-Sn and mercury cadmium telluride. At a growth velocity of 5 micron/sec and nominal liquid-side temperature gradient of 200 K/cm in Pb-Sn, rotation at 500 rpm results in a hundredfold increase in the critical Sn concentration. Large increases in the maximum allowable growth velocity at fixed melt composition are also attainable with modest rotation rates. The effect is amplified under conditions of reduced gravitational acceleration. For Hg(1-x)Cd(x)Te, we have also studied the nonrotating case. The key differences are due to the existence of a composition range for Hg(1-x)Cd(x)Te in which the melt density has a local maximum as a function of temperature. When the melt solidifies by cooling from below, the liquid density may initially increase with distance above the interface, before ultimately decreasing as the melt temperature increases above the value at which the local density maximum occurs. In contrast to the Pb-Sn case where density depends monotonically on temperature and composition, for Hg(1-x)Cd(x)Te there exists a critical value of the growth velocity above which plane-front solidification is unstable for all bulk CdTe mole fractions. Again, rotation leads to significant inhibition of onset. We identify the predicted stabilization with the Taylor-Proudman mechanism by which rotation inhibits thermal convection in a single-component fluid heated from below. In a binary liquid undergoing solidification, rotation inhibits the onset of buoyancy-driven convection, and has no effect on the short-wavelength morphological instability. At large growth velocities, the plane-front interface between liquid and solid becomes unstable with respect to a morphological instability and solidification occurs dendritically, with a mushy zone of dendrites and interdendritic fluid separating the solid from the melt. For the Pb-Sn system, rotation substantially suppresses the onset of convection in the mushy zone and in the overlying liquid, holding open the promise that rotation can suppress freckling and other macrosegregation defects.

Concentrations of lead, cadmium and barium in urban garden-grown vegetables: the impact of soil variables

PubMed Central

McBride, Murray B.; Shayler, Hannah A.; Spliethoff, Henry M.; Mitchell, Rebecca G.; Marquez-Bravo, Lydia G.; Ferenz, Gretchen S.; Russell-Anelli, Jonathan M.; Casey, Linda; Bachman, Sharon

2014-01-01

Paired vegetable/soil samples from New York City and Buffalo, NY, gardens were analyzed for lead (Pb), cadmium (Cd) and barium (Ba). Vegetable aluminum (Al) was measured to assess soil adherence. Soil and vegetable metal concentrations did not correlate; vegetable concentrations varied by crop type. Pb was below health-based guidance values (EU standards) in virtually all fruits. 47% of root crops and 9% of leafy greens exceeded guidance values; over half the vegetables exceeded the 95th percentile of market-basket concentrations for Pb. Vegetable Pb correlated with Al; soil particle adherence/incorporation was more important than Pb uptake via roots. Cd was similar to market-basket concentrations and below guidance values in nearly all samples. Vegetable Ba was much higher than Pb or Cd, although soil Ba was lower than soil Pb. The poor relationship between vegetable and soil metal concentrations is attributable to particulate contamination of vegetables and soil characteristics that influence phytoavailability. PMID:25163429

Concentrations of lead, cadmium and barium in urban garden-grown vegetables: the impact of soil variables.

PubMed

McBride, Murray B; Shayler, Hannah A; Spliethoff, Henry M; Mitchell, Rebecca G; Marquez-Bravo, Lydia G; Ferenz, Gretchen S; Russell-Anelli, Jonathan M; Casey, Linda; Bachman, Sharon

2014-11-01

Paired vegetable/soil samples from New York City and Buffalo, NY, gardens were analyzed for lead (Pb), cadmium (Cd) and barium (Ba). Vegetable aluminum (Al) was measured to assess soil adherence. Soil and vegetable metal concentrations did not correlate; vegetable concentrations varied by crop type. Pb was below health-based guidance values (EU standards) in virtually all fruits. 47% of root crops and 9% of leafy greens exceeded guidance values; over half the vegetables exceeded the 95th percentile of market-basket concentrations for Pb. Vegetable Pb correlated with Al; soil particle adherence/incorporation was more important than Pb uptake via roots. Cd was similar to market-basket concentrations and below guidance values in nearly all samples. Vegetable Ba was much higher than Pb or Cd, although soil Ba was lower than soil Pb. The poor relationship between vegetable and soil metal concentrations is attributable to particulate contamination of vegetables and soil characteristics that influence phytoavailability. Copyright © 2014 Elsevier Ltd. All rights reserved.

Detection methods for atoms and radicals in the gas phase

NASA Astrophysics Data System (ADS)

Hack, W.

This report lists atoms and free radicals in the gas phase which are of interest for environmental and flame chemistry and have been detected directly. The detection methods which have been used are discussed with respect to their range of application, specificity and sensitivity. In table 1, detection methods for the five atoms of group IV (C, Si, Ge, Sn, Pb) and about 60 radicals containing at least one atom of group IV are summarized (CH, Cd, Cf, CC1, CBr, Cn, Cs, CSe, CH2, CD2, Chf, Cdf, CHC1, CHBr, CF2, CC12, CBr2, CFC1, CFBr, CH3, CD3, CF3, CH2F, CH2C1, CH2Br, CHF2, CHC12, CHBr2, Hco, Fco, CH30, CD30, CH2OH, CH3S, Nco, CH4N, CH302, CF302; C2, C2N, C2H, C20, C2HO, C2H3, C2F3, C2H5, C2HsO, C2H4OH, CH3CO, CD3CO, C2H3O, C2H502, CH3COO2, C2H4N, C2H6N, C3; Si, SiF, SiF2, SiO, SiC, Si2; Ge, GeC, GeO, GeF, GeF2, GeCl2, Sn, SnF, SnO, SnF2, Pb, PbF, PbF2, PbO, PbS). In table 2 detection methods for about 25 other atoms and 60 radicals are listed: (H, D, O, O2, Oh, Od, HO2, DO2, F, Ci, Br, I, Fo, Cio, BrO, Io, FO2, C1O2, Li, Na, K, Rb, Cs, N, N3, Nh, Nd, Nf, Nci, NBr, NH2, ND2, Nhd, Nhf, NF2, NC12, N2H3, No, NO2, NO3, Hno, Dno, P, Ph, Pd, Pf, Pci, PH2, PD2, PF2, Po, As, AsO, AsS, Sb, Bi, S, S2, Sh, Sd, Sf, SF2, So, Hso, Dso, Sn, Se, Te, Se2, SeH, SeD, SeF, SeO, SeS, SeN, TeH, TeO, Bh, BH2, Bo, Bn, B02, Cd, Hg, UF5). The tables also cite some recent kinetic applications of the various methods.

Dual-targeting hybrid nanoparticles for the delivery of SN38 to Her2 and CD44 overexpressed human gastric cancer

NASA Astrophysics Data System (ADS)

Yang, Zhe; Luo, Huiyan; Cao, Zhong; Chen, Ya; Gao, Jinbiao; Li, Yingqin; Jiang, Qing; Xu, Ruihua; Liu, Jie

2016-06-01

Gastric cancer (GC), particularly of the type with high expression of both human epidermal growth factor receptor 2 (Her2) and cluster determinant 44 (CD44), is one of the most malignant human tumors which causes a high mortality rate due to rapid tumor growth and metastasis. To develop effective therapeutic treatments, a dual-targeting hybrid nanoparticle (NP) system was designed and constructed to deliver the SN38 agent specifically to human solid gastric tumors bearing excessive Her2 and CD44. The hybrid NPs consist of a particle core made of the biodegradable polymer PLGA and a lipoid shell prepared by conjugating the AHNP peptides and n-hexadecylamine (HDA) to the carboxyl groups of hyaluronic acid (HA). Upon encapsulation of the SN38 agent in the NPs, the AHNP peptides and HA on the NP surface allow preferential delivery of the drug to gastric cancer cells (e.g., HGC27 cells) by targeting Her2 and CD44. Cellular uptake and in vivo biodistribution experiments verified the active targeting and prolonged in vivo circulation properties of the dual-targeting hybrid NPs, leading to enhanced accumulation of the drug in tumors. Furthermore, the anti-proliferation mechanism studies revealed that the inhibition of the growth and invasive activity of HGC27 cells was not only attributed to the enhanced cellular uptake of dual-targeting NPs, but also benefited from the suppression of CD44 and Her2 expression by HA and AHNP moieties. Finally, intravenous administration of the SN38-loaded dual-targeting hybrid NPs induced significant growth inhibition of HGC27 tumor xenografted in nude mice compared with a clinical antitumor agent, Irinotecan (CPT-11), and the other NP formulations. These results demonstrate that the designed dual-targeting hybrid NPs are promising for targeted anti-cancer drug delivery to treat human gastric tumors over-expressing Her2 and CD44.Gastric cancer (GC), particularly of the type with high expression of both human epidermal growth factor receptor 2 (Her2) and cluster determinant 44 (CD44), is one of the most malignant human tumors which causes a high mortality rate due to rapid tumor growth and metastasis. To develop effective therapeutic treatments, a dual-targeting hybrid nanoparticle (NP) system was designed and constructed to deliver the SN38 agent specifically to human solid gastric tumors bearing excessive Her2 and CD44. The hybrid NPs consist of a particle core made of the biodegradable polymer PLGA and a lipoid shell prepared by conjugating the AHNP peptides and n-hexadecylamine (HDA) to the carboxyl groups of hyaluronic acid (HA). Upon encapsulation of the SN38 agent in the NPs, the AHNP peptides and HA on the NP surface allow preferential delivery of the drug to gastric cancer cells (e.g., HGC27 cells) by targeting Her2 and CD44. Cellular uptake and in vivo biodistribution experiments verified the active targeting and prolonged in vivo circulation properties of the dual-targeting hybrid NPs, leading to enhanced accumulation of the drug in tumors. Furthermore, the anti-proliferation mechanism studies revealed that the inhibition of the growth and invasive activity of HGC27 cells was not only attributed to the enhanced cellular uptake of dual-targeting NPs, but also benefited from the suppression of CD44 and Her2 expression by HA and AHNP moieties. Finally, intravenous administration of the SN38-loaded dual-targeting hybrid NPs induced significant growth inhibition of HGC27 tumor xenografted in nude mice compared with a clinical antitumor agent, Irinotecan (CPT-11), and the other NP formulations. These results demonstrate that the designed dual-targeting hybrid NPs are promising for targeted anti-cancer drug delivery to treat human gastric tumors over-expressing Her2 and CD44. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01749e

2DEGs at Perovskite Interfaces between KTaO3 or KNbO3 and Stannates

PubMed Central

Fan, Xiaofeng; Zheng, Weitao; Chen, Xin; Singh, David J.

2014-01-01

We report density functional studies of electron rich interfaces between KTaO3 or KNbO3 and CaSnO3 or ZnSnO3 and in particular the nature of the interfacial electron gasses that can be formed. We find that depending on the details these may occur on either the transition metal or stannate sides of the interface and in the later case can be shifted away from the interface by ferroelectricity. We also present calculations for bulk KNbO3, KTaO3, CaSnO3, BaSnO3 and ZnSnO3, showing the different transport and optical properties that may be expected on the two sides of such interfaces. The results suggest that these interfaces may display a wide range of behaviors depending on conditions, and in particular the interplay with ferroelectricity suggests that electrical control of these properties may be possible. PMID:24626191

Measurements of the {sup 116}Cd(p,n) and {sup 116}Sn(n,p) reactions at 300 MeV for studying Gamow-Teller transition strengths in the intermediate nucleus of the {sup 116}Cd double-{beta} decay

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

Sasano, M.; Kuboki, H.; Sekiguchi, K.

2009-11-09

The double differential cross sections for the {sup 116}Cd(p,n) and {sup 116}Sn(n,p) reactions at 300 MeV have been measured over a wide excitation-energy region including Gamow-Teller (GT) giant resonance (GTGR) for studying GT transition strengths in the intermediate nucleus of the {sup 116}Cd double-{beta} decay, namely {sup 116}In. A large amount of the strengths in the {beta}{sup +} direction has been newly found in the energy region up to 30 MeV, which may imply that the GT strengths in the GTGR region contribute to the nuclear matrix element of the two-neutrino double-{beta} decay.

Using listening difficulty ratings of conditions for speech communication in rooms

NASA Astrophysics Data System (ADS)

Sato, Hiroshi; Bradley, John S.; Morimoto, Masayuki

2005-03-01

The use of listening difficulty ratings of speech communication in rooms is explored because, in common situations, word recognition scores do not discriminate well among conditions that are near to acceptable. In particular, the benefits of early reflections of speech sounds on listening difficulty were investigated and compared to the known benefits to word intelligibility scores. Listening tests were used to assess word intelligibility and perceived listening difficulty of speech in simulated sound fields. The experiments were conducted in three types of sound fields with constant levels of ambient noise: only direct sound, direct sound with early reflections, and direct sound with early reflections and reverberation. The results demonstrate that (1) listening difficulty can better discriminate among these conditions than can word recognition scores; (2) added early reflections increase the effective signal-to-noise ratio equivalent to the added energy in the conditions without reverberation; (3) the benefit of early reflections on difficulty scores is greater than expected from the simple increase in early arriving speech energy with reverberation; (4) word intelligibility tests are most appropriate for conditions with signal-to-noise (S/N) ratios less than 0 dBA, and where S/N is between 0 and 15-dBA S/N, listening difficulty is a more appropriate evaluation tool. .

Preparation of high density heavy metal fluoride glasses with extended ultraviolet and infra red ranges, and such high density heavy metal fluoride glasses

NASA Technical Reports Server (NTRS)

Martin, Steven W. (Inventor); Huebsch, Jesse (Inventor)

2001-01-01

A heavy metal fluoride glass composition range (in mol percent) consisting essentially of: (16-30)BaF.sub.2.(8-26)HfF.sub.4.(6-24)InF.sub.3 or GaF.sub.3.(4-16)CdF.sub.2.(6-24)YbF.sub.3.(4-22)ZnF.sub.2. In an alternative embodiment, a heavy metal fluoride glass composition range (in mol percent) comprises (16-30)BaF.sub.2.(8-26)HfF.sub.4.(6-24) of (0-24)InF.sub.3, (0-24)GaF.sub.3 and (0-19)AlF.sub.3.(1-16)CdF.sub.2.(6-24)YbF.sub.3.(4-26)ZnF.sub.2. A preferred heavy metal fluoride glass produced in accordance with the present invention comprises a composition (in mol %) and comprises about 26BaF.sub.2.18HfF.sub.4.7InF.sub.3.5GaF.sub.3.10CdF.sub.2.18YbF.sub.3. 16ZnF.sub.2. A preferred heavy metal fluoride glass has maximum thickness of most preferably about 3 mm. Another preferred heavy metal fluoride glass comprises a composition (in mol %) and comprises about 26BaF.sub.2.18HfF.sub.4.12AlF.sub.3.10CdF.sub.2.18YbF.sub.3.16ZnF.sub.2.

[Correlativity study of the distribution of soil magnetic susceptibility and the heavy metal contents in Xi'an City].

PubMed

Chen, Xiu-Duan; Lu, Xin-Wei; Yang, Guang

2013-03-01

The magnetic susceptibility and the concentrations of Co, Cr, Cu, Pb, Sn, Sr and Ba in topsoil samples from Xi'an City were measured to study their spatial distribution and their correlation in this study. The results show that the concentrations of all measured heavy metals are higher than their background values in Cinnamon topsoil, which is the main soil type of Xi'an City. The heavy metals concentrations and the magnetic susceptibility of the studied samples display moderate variance. Co, Cr, Cu, Pb, Sn, Sr and Ba are significantly positively correlated with low-frequency magnetic susceptibility, while are significantly negatively correlated with frequency susceptibility. The spatial distribution of low-frequency magnetic susceptibility is identical with the concentrations of Pb and Cu. However, the spatial variation of frequency magnetic susceptibility is different from the concentrations of Co, Cr and Ba. The pollution assessment results show that the heavy metal pollution in topsoil of Xi'an City is moderate. The spatial contribution of the pollution load index was significantly correlated with the magnetic susceptibility of topsoil in Xi'an City. Therefore, soil magnetic susceptibility can be used as an effective monitoring means for heavy metal pollution in urban soil.

An analysis of point defects induced by In, Al, Ni, and Sn dopants in Bridgman-grown CdZnTe detectors and their influence on trapping of charge carriers

DOE PAGES

Gul, R.; Roy, U. N.; James, R. B.

2017-03-15

In this paper, we studied point defects induced in Bridgman-grown CdZnTe detectors doped with Indium (In), Aluminium (Al), Nickel (Ni), and Tin (Sn). Point defects associated with different dopants were observed, and these defects were analyzed in detail for their contributions to electron/hole (e/h) trapping. We also explored the correlations between the nature and abundance of the point defects with their influence on the resistivity, electron mobility-lifetime (μτ e) product, and electron trapping time. We used current-deep level transient spectroscopy to determine the energy, capture cross-section, and concentration of each trap. Furthermore, we used the data to determine the trappingmore » and de-trapping times for the charge carriers. In In-doped CdZnTe detectors, uncompensated Cd vacancies (V Cd -) were identified as a dominant trap. The V Cd - were almost compensated in detectors doped with Al, Ni, and Sn, in addition to co-doping with In. Dominant traps related to the dopant were found at E v + 0.36 eV and E v + 1.1 eV, E c + 76 meV and E v + 0.61 eV, E v + 36 meV and E v + 0.86 eV, E v + 0.52 eV and E c + 0.83 eV in CZT:In, CZT:In + Al, CZT:In + Ni, and CZT:In + Sn, respectively. Results indicate that the addition of other dopants with In affects the type, nature, concentration (N t), and capture cross-section (σ) and hence trapping (t t) and de-trapping (t dt) times. Finally, the dopant-induced traps, their corresponding concentrations, and charge capture cross-section play an important role in the performance of radiation detectors, especially for devices that rely solely on electron transport.« less

An analysis of point defects induced by In, Al, Ni, and Sn dopants in Bridgman-grown CdZnTe detectors and their influence on trapping of charge carriers

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

Gul, R.; Roy, U. N.; James, R. B.

In this paper, we studied point defects induced in Bridgman-grown CdZnTe detectors doped with Indium (In), Aluminium (Al), Nickel (Ni), and Tin (Sn). Point defects associated with different dopants were observed, and these defects were analyzed in detail for their contributions to electron/hole (e/h) trapping. We also explored the correlations between the nature and abundance of the point defects with their influence on the resistivity, electron mobility-lifetime (μτ e) product, and electron trapping time. We used current-deep level transient spectroscopy to determine the energy, capture cross-section, and concentration of each trap. Furthermore, we used the data to determine the trappingmore » and de-trapping times for the charge carriers. In In-doped CdZnTe detectors, uncompensated Cd vacancies (V Cd -) were identified as a dominant trap. The V Cd - were almost compensated in detectors doped with Al, Ni, and Sn, in addition to co-doping with In. Dominant traps related to the dopant were found at E v + 0.36 eV and E v + 1.1 eV, E c + 76 meV and E v + 0.61 eV, E v + 36 meV and E v + 0.86 eV, E v + 0.52 eV and E c + 0.83 eV in CZT:In, CZT:In + Al, CZT:In + Ni, and CZT:In + Sn, respectively. Results indicate that the addition of other dopants with In affects the type, nature, concentration (N t), and capture cross-section (σ) and hence trapping (t t) and de-trapping (t dt) times. Finally, the dopant-induced traps, their corresponding concentrations, and charge capture cross-section play an important role in the performance of radiation detectors, especially for devices that rely solely on electron transport.« less

The performance of moss, grass, and 1- and 2-year old spruce needles as bioindicators of contamination: a comparative study at the scale of the Czech Republic.

PubMed

Suchara, Ivan; Sucharova, Julie; Hola, Marie; Reimann, Clemens; Boyd, Rognvald; Filzmoser, Peter; Englmaier, Peter

2011-05-01

Moss (Pleurozium schreberi), grass (Avenella flexuosa), and 1- and 2-year old spruce (Picea abies) needles were collected over the territory of the Czech Republic at an average sample density of 1 site per 290km(2). The samples were analysed for 39 elements (Ag, Al, As, Ba, Be, Bi, Ca, Cd, Ce, Co, Cr, Cs, Cu, Fe, Ga, Hg, K, La, Li, Mg, Mn, Mo, Na, Nd, Ni, Pb, Pr, Rb, S, Sb, Se, Sn, Sr, Th, Tl, U, V, Y and Zn) using ICP-MS and ICP-AES techniques (the major nutrients Ca, K, Mg and Na were not analysed in moss). Moss showed by far the highest element concentrations for most elements. Exceptions were Ba (spruce), Mn (spruce), Mo (grass), Ni (spruce), Rb (grass) and S (grass). Regional distribution maps and spatial trend analysis were used to study the suitability of the four materials as bioindicators of anthropogenic contamination. The highly industrialised areas in the north-west and the far east of the country and several more local contamination sources were indicated in the distribution maps of one or several sample materials. At the scale of the whole country moss was the best indicator of known contamination sources. However, on a more local scale, it appeared that spruce needles were especially well suited for detection of urban contamination. Copyright © 2010 Elsevier B.V. All rights reserved.

Z =50 core stability in 110Sn from magnetic-moment and lifetime measurements

NASA Astrophysics Data System (ADS)

Kumbartzki, G. J.; Benczer-Koller, N.; Speidel, K.-H.; Torres, D. A.; Allmond, J. M.; Fallon, P.; Abramovic, I.; Bernstein, L. A.; Bevins, J. E.; Crawford, H. L.; Guevara, Z. E.; Gürdal, G.; Hurst, A. M.; Kirsch, L.; Laplace, T. A.; Lo, A.; Matthews, E. F.; Mayers, I.; Phair, L. W.; Ramirez, F.; Robinson, S. J. Q.; Sharon, Y. Y.; Wiens, A.

2016-04-01

Background: The structure of the semimagic 50Sn isotopes were previously studied via measurements of B (E 2 ;21+→01+ ) and g factors of 21+ states. The values of the B (E 2 ;21+ ) in the isotopes below midshell at N = 66 show an enhancement in collectivity, contrary to predictions from shell-model calculations. Purpose: This work presents the first measurement of the 2 1+ and 4 1+ states' magnetic moments in the unstable neutron-deficient 110Sn. The g factors provide complementary structure information to the interpretation of the observed B (E 2 ) values. Methods: The 110Sn nuclei have been produced in inverse kinematics in an α -particle transfer reaction from 12C to 106Cd projectiles at 390, 400, and 410 MeV. The g factors have been measured with the transient field technique. Lifetimes have been determined from line shapes using the Doppler-shift attenuation method. Results: The g factors of the 21+ and 41+ states in 110Sn are g (21+) = +0.29(11) and g (41+) = +0.05(14), respectively. In addition, the g (41+) = +0.27(6) in 106Cd has been measured for the first time. A line-shape analysis yielded τ (110Sn ; 21+) = 0.81(10) ps and a lifetime of τ (110Sn ; 31-) = 0.25(5) ps was calculated from the fully Doppler-shifted γ line. Conclusions: No evidence has been found in 110Sn that would require excitation of protons from the closed Z =50 core.

LONG-TERM OUTCOME OF THE DIFFERENT TREATMENT ALTERNATIVES FOR RECURRENT AND PERSISTENT CUSHING DISEASE.

PubMed

Espinosa-de-Los-Monteros, Ana Laura; Sosa-Eroza, Ernesto; Espinosa, Etual; Mendoza, Victoria; Arreola, Rocio; Mercado, Moises

2017-07-01

Treatment alternatives for persistent and recurrent Cushing disease (CD) include pituitary surgical re-intervention, radiation therapy (RT), pharmacotherapy, and bilateral adrenalectomy (BA). The decision of which of these alternatives is better suited for the individual patient rests on clinical judgment and the availability of resources. This retrospective cohort study was performed at a referral center to evaluate the long-term efficacy of different secondary interventions for persistent and recurrent CD. We evaluated the hospital charts of 84 patients (77 female, median age 34 years, median follow up 6.3 years) with CD diagnosed, treated, and followed at our multidisciplinary clinic according to a pre-established protocol. Of the 81 patients who were initially treated with transsphenoidal surgery (TSS), 61.7% had a long-lasting remission, 16% had persistent disease, and 22% achieved remission but relapsed during follow-up. The most frequently used secondary treatment was pituitary re-intervention, followed by ketoconazole, RT, and BA. Early remissions were observed in 66.6% of the re-operated and in 58.3% of the radiated patients; long-lasting remission was achieved in 33.3% and 41.6% of these patients, respectively. Nelson syndrome developed in 41.6% of the patients who underwent BA. Upon last follow-up, 88% of all the patients are in remission, and 9.5% are biochemically controlled with ketoconazole. The efficacy of treatment alternatives for recurrent or persistent CD varies considerably among patients and multiple interventions are often required to achieve long-lasting remission. ACTH = adrenocorticotrophic hormone; BA = bilateral adrenalectomy; CBG = cabergoline; CD = Cushing disease; CV = coefficient of variation; DXM = dexamethasone; IQR = interquartile range; RT = radiation therapy; SRS = stereotactic radiosurgery; TSS = transsphenoidal surgery; UFC = urinary free cortisol; ULN = upper limit of normal.

Anthropogenic sources and environmentally relevant concentrations of heavy metals in surface water of a mining district in Ghana: a multivariate statistical approach.

PubMed

Armah, Frederick A; Obiri, Samuel; Yawson, David O; Onumah, Edward E; Yengoh, Genesis T; Afrifa, Ernest K A; Odoi, Justice O

2010-11-01

The levels of heavy metals in surface water and their potential origin (natural and anthropogenic) were respectively determined and analysed for the Obuasi mining area in Ghana. Using Hawth's tool an extension in ArcGIS 9.2 software, a total of 48 water sample points in Obuasi and its environs were randomly selected for study. The magnitude of As, Cu, Mn, Fe, Pb, Hg, Zn and Cd in surface water from the sampling sites were measured by flame Atomic Absorption Spectrophotometry (AAS). Water quality parameters including conductivity, pH, total dissolved solids and turbidity were also evaluated. Principal component analysis and cluster analysis, coupled with correlation coefficient analysis, were used to identify possible sources of these heavy metals. Pearson correlation coefficients among total metal concentrations and selected water properties showed a number of strong associations. The results indicate that apart from tap water, surface water in Obuasi has elevated heavy metal concentrations, especially Hg, Pb, As, Cu and Cd, which are above the Ghana Environmental Protection Agency (GEPA) and World Health Organisation (WHO) permissible levels; clearly demonstrating anthropogenic impact. The mean heavy metal concentrations in surface water divided by the corresponding background values of surface water in Obuasi decrease in the order of Cd > Cu > As > Pb > Hg > Zn > Mn > Fe. The results also showed that Cu, Mn, Cd and Fe are largely responsible for the variations in the data, explaining 72% of total variance; while Pb, As and Hg explain only 18.7% of total variance. Three main sources of these heavy metals were identified. As originates from nature (oxidation of sulphide minerals particularly arsenopyrite-FeAsS). Pb derives from water carrying drainage from towns and mine machinery maintenance yards. Cd, Zn, Fe and Mn mainly emanate from industry sources. Hg mainly originates from artisanal small-scale mining. It cannot be said that the difference in concentration of heavy metals might be attributed to difference in proximity to mining-related activities because this is inconsistent with the cluster analysis. Based on cluster analysis SN32, SN42 and SN43 all belong to group one and are spatially similar. But the maximum Cu concentration was found in SN32 while the minimum Cu concentration was found in SN42 and SN43.

Superconducting thin films of (100) and (111) oriented indium doped topological crystalline insulator SnTe

DOE PAGES

Si, W.; Zhang, C.; Wu, L.; ...

2015-09-01

Recent discovery of the topological crystalline insulator SnTe has triggered a search for topological superconductors, which have potential application to topological quantum computing. The present work reports on the superconducting properties of indium doped SnTe thin films. The (100) and (111) oriented thin films were epitaxially grown by pulsed-laser deposition on (100) and (111) BaF2 crystalline substrates respectively. The onset superconducting transition temperatures are about 3.8 K for (100) and 3.6 K for (111) orientations, slightly lower than that of the bulk. Magneto-resistive measurements indicate that these thin films may have upper critical fields higher than that of the bulk.more » With large surface-to-bulk ratio, superconducting indium doped SnTe thin films provide a rich platform for the study of topological superconductivity and potential device applications based on topological superconductors.« less

Superconducting thin films of (100) and (111) oriented indium doped topological crystalline insulator SnTe

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

Si, Weidong, E-mail: wds@bnl.gov, E-mail: qiangli@bnl.gov; Zhang, Cheng; Wu, Lijun

2015-08-31

Recent discovery of the topological crystalline insulator SnTe has triggered a search for topological superconductors, which have potential application to topological quantum computing. The present work reports on the superconducting properties of indium doped SnTe thin films. The (100) and (111) oriented thin films were epitaxially grown by pulsed-laser deposition on (100) and (111) BaF{sub 2} crystalline substrates, respectively. The onset superconducting transition temperatures are about 3.8 K for (100) and 3.6 K for (111) orientations, slightly lower than that of the bulk. Magneto-resistive measurements indicate that these thin films may have upper critical fields higher than that of the bulk. Withmore » large surface-to-bulk ratio, superconducting indium doped SnTe thin films provide a rich platform for the study of topological superconductivity and potential device applications based on topological superconductors.« less

The response of shoot accumulation of trace elements in Chinese cabbage to microclimate modification.

PubMed

Moreno, D A; Villora, M G; Hernández, J; Castilla, N; Romer, L

2001-01-01

In three consecutive years of field experiments (1994-96), three different environmental conditions for the growth of Chinese cabbage (Brassica pekinensis (Lour) Rupr. cv. Nagaoka 50) were established by using two cover treatments (T1 and T2) and a control uncovered cultivation (T0). The T1 [50 microm polyethylene cover; 20 degrees C air temperature; 61.9% relative moisture; 207 Wm(-2) irradiance] and T2 [a 17 gm(-2) non-woven fleece; 18 degrees C; 63.4%; 205 Wm(-2) gave rise to differences in environmental conditions with respect to T0 [14 degrees C; 57.5%; 237 Wm(-2)]. We analysed chloride (Cl), barium (Ba). rubidium (Rb) and tin (Sn) in the whole tops of experimental plants. Chloride removal was high for Brassica pekinensis but considerably lower for Rb, giving intermediate values for Ba and Sn. The influence of environmental factors under T1 increased trace-element removal and enhanced the usefulness for phytoremedation.

Dielectric and ferroelectric properties of Ba0.87Ca0.10La0.03Ti1-xSnxO3 lead-free ceramics

NASA Astrophysics Data System (ADS)

Chen, Zhi-hui; Li, Zhi-wei; Fang, Chang; Qiu, Jian-hua; Ding, Jian-ning; Zhu, Wei-qin; Xu, Jiu-jun

2017-12-01

Ba0.87Ca0.10La0.03Ti1-xSnxO3 (BCLTS) piezoelectric lead-free ceramics were fabricated by conventional solid-state sintering process at 1480 °C. The effects of Sn4+ substitution on microstructure and electrical properties of the ceramics were researched. All samples show a pure perovskite structure with no secondary phase, and the coexistence of orthorhombic phase and tetragonal phase in the composition range of x = 0.06-0.10 is identified in the XRD pattern. Average grain size decreases with the increase of Sn content in the BCLTS samples. The BCLTS ceramics exhibit excellent piezoelectric properties and ferroelectric properties with d33 = 501pC/N and kp = 45.6% at x = 0.10, and Pr = 9.87 μC/cm2 at x = 0.06. The analysis on the temperature dependence of dielectric permittivity approved the diffuse relaxor ferroelectric feature for all the BCLTS samples.

Metal content in caviar of wild Persian sturgeon from the southern Caspian Sea.

PubMed

Hosseini, S M; Sobhanardakani, S; Navaei, M Batebi; Kariminasab, M; Aghilinejad, S M; Regenstein, J M

2013-08-01

Caviar (fish roe of sturgeon) may contain high levels of contaminants. An inductively coupled plasma-optical emission spectrometer and a direct mercury analyzer were used to assess the contents of four heavy metals (Hg, Se, Sn, and Ba) in caviar of wild Persian sturgeon sea foods. The levels of Hg ranged from 1.39 to 1.50 μg g(-1), Se from 0.90 to 1.10 μg g(-1), Sn from 0.23 to 0.33, and Ba from 0.71 to 1.17 µg g(-1). Evaluation of these levels showed that except for Hg, the average concentrations of other metals are significantly lower than adverse level for the human consumption when compared with Food and Agricultural Organization of the United Nations and World Health Organization permissible limits. Therefore, their contribution to the total body burden of these heavy metals can be considered as negligibly small given that caviar is a luxury product.

Electrical and impedance spectroscopy analysis of sol-gel derived spin coated Cu2ZnSnS4 solar cell

NASA Astrophysics Data System (ADS)

Gupta, Goutam Kumar; Garg, Ashish; Dixit, Ambesh

2018-01-01

We carried out electrical and impedance studies on solution derived Al:ZnO/ZnO/CdS/Cu2ZnSnS4/Mo/Glass multilayered solar cell structures to understand their impact on photovoltaic performance. The Cu2ZnSnS4 layer is synthesized on a molybdenum (Mo) coated soda lime glass substrate as an absorber and characterized intensively to optimize the absorber physical properties. The optimized Cu2ZnSnS4 is p-type with 5.8 × 1017 cm-3 hole carrier concentration. The depletion width of the junction is around 20.5 nm and the diffusion capacitance is ˜35.5 nF for these devices. We observed relatively large minority carrier life time ˜23 μs for these structures using open voltage decay analysis. The measured Cu2ZnSnS4/MoS2 and Cu2ZnSnS4/CdS interface resistances are 7.6 kΩ and 12.5 kΩ, respectively. The spatial inhomogeneities are considered and the corresponding resistance is ˜11.4 kΩ. The impedance measurements suggest that in conjunction with series resistance ˜350 Ω, the interface and spatial inhomogeneity resistances also give a significant contribution to the photovoltaic performance.

1p3/2 proton-hole state in 132Sn and the shell structure along N = 82.

PubMed

Taprogge, J; Jungclaus, A; Grawe, H; Nishimura, S; Doornenbal, P; Lorusso, G; Simpson, G S; Söderström, P-A; Sumikama, T; Xu, Z Y; Baba, H; Browne, F; Fukuda, N; Gernhäuser, R; Gey, G; Inabe, N; Isobe, T; Jung, H S; Kameda, D; Kim, G D; Kim, Y-K; Kojouharov, I; Kubo, T; Kurz, N; Kwon, Y K; Li, Z; Sakurai, H; Schaffner, H; Steiger, K; Suzuki, H; Takeda, H; Vajta, Zs; Watanabe, H; Wu, J; Yagi, A; Yoshinaga, K; Benzoni, G; Bönig, S; Chae, K Y; Coraggio, L; Covello, A; Daugas, J-M; Drouet, F; Gadea, A; Gargano, A; Ilieva, S; Kondev, F G; Kröll, T; Lane, G J; Montaner-Pizá, A; Moschner, K; Mücher, D; Naqvi, F; Niikura, M; Nishibata, H; Odahara, A; Orlandi, R; Patel, Z; Podolyák, Zs; Wendt, A

2014-04-04

A low-lying state in 131In82, the one-proton hole nucleus with respect to double magic 132Sn, was observed by its γ decay to the Iπ=1/2- β-emitting isomer. We identify the new state at an excitation energy of Ex=1353  keV, which was populated both in the β decay of 131Cd83 and after β-delayed neutron emission from 132Cd84, as the previously unknown πp3/2 single-hole state with respect to the 132Sn core. Exploiting this crucial new experimental information, shell-model calculations were performed to study the structure of experimentally inaccessible N=82 isotones below 132Sn. The results evidence a surprising absence of proton subshell closures along the chain of N=82 isotones. The consequences of this finding for the evolution of the N=82 shell gap along the r-process path are discussed.

BaTiO3-based piezoelectrics: Fundamentals, current status, and perspectives

NASA Astrophysics Data System (ADS)

Acosta, M.; Novak, N.; Rojas, V.; Patel, S.; Vaish, R.; Koruza, J.; Rossetti, G. A.; Rödel, J.

2017-12-01

We present a critical review that encompasses the fundamentals and state-of-the-art knowledge of barium titanate-based piezoelectrics. First, the essential crystallography, thermodynamic relations, and concepts necessary to understand piezoelectricity and ferroelectricity in barium titanate are discussed. Strategies to optimize piezoelectric properties through microstructure control and chemical modification are also introduced. Thereafter, we systematically review the synthesis, microstructure, and phase diagrams of barium titanate-based piezoelectrics and provide a detailed compilation of their functional and mechanical properties. The most salient materials treated include the (Ba,Ca)(Zr,Ti)O3, (Ba,Ca)(Sn,Ti)O3, and (Ba,Ca)(Hf,Ti)O3 solid solution systems. The technological relevance of barium titanate-based piezoelectrics is also discussed and some potential market indicators are outlined. Finally, perspectives on productive lines of future research and promising areas for the applications of these materials are presented.

Hunting grounds for Jacobi transitions and hyperdeformations

DOE PAGES

Herskind, B.; Benzoni, G.; Wilson, J. N.; ...

2003-04-01

In recent attempts to search for exotic shapes, hyperdeformation (HD), and Jacobi transitions in Hf, Ba, Xe, Sn and Nd nuclei, ridge structures presumably originating from nuclei of very elongated shapes have been observed in 126Ba, with Gammasphere (GS) and in 126Xe, with Euroball-IV (EB-IV). After the promising results from GS, a second experiment in 126Ba followed at EB-IV, taking advantage of the use of the BGO Inner Ball (IB) for selecting the highest spins. The decay of the Giant Dipole Resonances (GDR) is also studied, and the analysis in progress. The Quasi-continuum transitions in the Jacobi region, show amore » significant decrease in energy for both 126Ba and 126Xe, compared to the Thomas-Fermi- and the LSD model predictions. Similar effects were recently found for other nuclei by Ward et al.« less

Band alignment at the Cu2ZnSn(SxSe1-x)4/CdS interface

NASA Astrophysics Data System (ADS)

Haight, Richard; Barkhouse, Aaron; Gunawan, Oki; Shin, Byungha; Copel, Matt; Hopstaken, Marinus; Mitzi, David B.

2011-06-01

Energy band alignments between CdS and Cu2ZnSn(SxSe1-x)4 (CZTSSe) grown via solution-based and vacuum-based deposition routes were studied as a function of the [S]/[S+Se] ratio with femtosecond laser ultraviolet photoelectron spectroscopy, photoluminescence, medium energy ion scattering, and secondary ion mass spectrometry. Band bending in the underlying CZTSSe layer was measured via pump/probe photovoltage shifts of the photoelectron spectra and offsets were determined with photoemission under flat band conditions. Increasing the S content of the CZTSSe films produces a valence edge shift to higher binding energy and increases the CZTSSe band gap. In all cases, the CdS conduction band offsets were spikes.

Pulsed Laser Propulsion Studies. Volume 1. Thruster Physics and Performance

DTIC Science & Technology

1982-10-01

official policies , either expressed or implied, of the Defense Advanced Research Projects Agency of the U.S. Government." UNCLASSIFIED / $S1CUITY...821741 0 0’ 4 CM9 0o 0 C-D N CD CDP-1 C’ 0 CD CD CD-C (ZWD/) AISNR0 irr SnN . CD M oc- CNCD 4 u𔃺 U-U C-󈨋 (S/,WD)- N14e Voff’ which was constant up to

Anomalous metal concentrations in soil and till at the Ballinalack Zn-Pb deposit, Ireland

NASA Astrophysics Data System (ADS)

Kalveram, Ann-Kristin; McClenaghan, Seán H.; Kamber, Balz S.

2017-04-01

Metals such as zinc, iron, arsenic and lead are commonly found in low concentrations within soils. These signatures may occur as a result of natural dispersion from metal-bearing geological formations and (or) from anthropogenic sources. Prior to investigating any high or anomalous concentrations of metals in the surficial environment, it is important to reconcile potential sources of metals and verify whether element anomalies are in response to buried mineralization. Here we show how to distinguish true elevated concentrations from naturally occurring variations within a soil system. The research area is situated above the limestone-hosted Ballinalack Zn-Pb deposit in the central Irish Midlands. To investigate the pedogenesis and its related geochemical signature, top of the till and the BC soil horizon were sampled. Although the area can be described as pasture land, it does not preclude previous anthropogenic influences from former agricultural use and local small scale peat harvesting. For the soil BC horizon as well as in the top of the till, aqua regia-digestible element concentrations vary significantly and locally reach anomalous levels: Zn (median: 104 ppm; range: 27 - 13150 ppm), Pb (median: 16 ppm; range: 2 - 6430 ppm), As (median: 7.7 ppm; range: 1.4 - 362 ppm), Ag (median: 0.12 ppm; range: 0.04 - 19.9 ppm), Ba (median: 40 ppm; range: 10 - 1230 ppm), Cd (median: 1.5 ppm; range: 0.2 - 68 ppm), Co (median: 7.3 ppm; range: 0.5 - 22 ppm), Ni (median: 37 ppm; range: 3 - 134 ppm), Fe (median: 17900 ppm; range: 5000 - 52300 ppm), Ga (median: 2.4 ppm; range: 0.3 - 7.6 ppm), Sb (median: 1.2 ppm; range: 0.1 - 197 ppm) and Tl (median: 0.3 ppm; range: 0.02 - 8.6 ppm). Comparison with background levels from the area and grouped according to underlying geology, enrichment factor calculations (against Nb and Zr) indicate an elemental response to metalliferous-bearing bedrock. These results confirm that soil anomalies of Zn, Pb, As, Ag, Ba, Cd, Ni, Sb and Tl, are consistent with the characteristics of buried Waulsortian-hosted sulphide mineralization; furthermore, Mo, Se, Sn and V are anomalous. Principal component analysis reveals a strong geochemical relationship between Ag, As, Ba, Cd, Pb, Sb, Tl and Zn in soils, representing metal dispersion from a shallow sulphide lens underneath till and soil horizons. Results of laser ablation ICP-MS analyses of pyrite and sphalerite from the Ballinalack deposit confirm this geochemical relationship. These outcomes have helped to distinguish between true geological anomalies and possible anthropogenic inputs, an important consideration for any mineral exploration activities on cultivated land.

Assessing metal contamination from construction and demolition (C&D) waste used to infill wetlands: using Deroceras reticulatum (Mollusca: Gastropoda).

PubMed

Staunton, John A; Mc Donnell, Rory J; Gormally, Michael J; Williams, Chris D; Henry, Tiernan; Morrison, Liam

2014-11-01

Large quantities of construction and demolition waste (C&D) are produced globally every year, with little known about potential environmental impacts. In the present study, the slug, Deroceras reticulatum (Mollusca: Gastropoda) was used as the first biomonitor of metals (Ag, As, Ba, Cd, Co, Cr, Cu, Mn, Mo, Ni, Pb, Sb, Se, Ti, Tl, V and Zn) on wetlands post infilling with construction and demolition (C&D) waste. The bioaccumulation of As, Ba, Cd, Co, Sb, Se and Tl were found to be significantly elevated in slugs collected on C&D waste when compared to unimproved pastures (control sites), while Mo, Se and Sr had significantly higher concentrations in slugs collected on C&D waste when compared to known contaminated sites (mining locations), indicating the potential hazardous nature of C&D waste to biota. Identifying exact sources for these metals within the waste can be problematic, due to its heterogenic nature. Biomonitors are a useful tool for future monitoring and impact studies, facilitating policy makers and regulations in other countries regarding C&D waste infill. In addition, improving separation of C&D waste to allow increased reuse and recycling is likely to be effective in reducing the volume of waste being used as infill, subsequently decreasing potential metal contamination.

Norm- and hypo-fractionated radiotherapy is capable of activating human dendritic cells.

PubMed

Kulzer, Lorenz; Rubner, Yvonne; Deloch, Lisa; Allgäuer, Andrea; Frey, Benjamin; Fietkau, Rainer; Dörrie, Jan; Schaft, Niels; Gaipl, Udo S

2014-10-01

Despite the transient immunosuppressive properties of local radiotherapy (RT), this classical treatment modality of solid tumors is capable of inducing immunostimulatory forms of tumor-cell death. The resulting 'immunotoxicity' in the tumor, but not in healthy tissues, may finally lead to immune-mediated destruction of the tumor. However, little is known about the best irradiation scheme in this setting. This study examines the immunological effects of differently irradiated human colorectal tumor cells on human monocyte-derived dendritic cells (DC). Human SW480 tumor cells were irradiated with a norm-fractionation scheme (5 × 2 Gy), a hypo-fractionated protocol (3 × 5 Gy), and with a high single irradiation dose (radiosurgery; 1 × 15 Gy). Subsequently, human immature DC (iDC) were co-incubated with supernatants (SN) of these differently treated tumor cells. Afterwards, DC were analyzed regarding the expression of maturation markers, the release of cytokines, and the potential to stimulate CD4(+) T-cells. The co-incubation of iDC with SN of tumor cells exposed to norm- or hypo-fractionated RT resulted in a significantly increased secretion of the immune activating cytokines IL-12p70, IL-8, IL-6, and TNFα, compared to iDC co-incubated with SN of tumor cells that received a high single irradiation dose or were not irradiated. In addition, DC-maturation markers CD80, CD83, and CD25 were also exclusively elevated after co-incubation with the SN of fractionated irradiated tumor cells. Furthermore, the SN of tumor cells that were irradiated with norm- or hypo-fractionated RT triggered iDC to stimulate CD4(+) T-cells not only in an allogenic, but also in an antigen-specific manner like mature DC. Collectively, these results demonstrate that norm- and hypo-fractionated RT induces a fast human colorectal tumor-cell death with immunogenic potential that can trigger DC maturation and activation in vitro. Such findings may contribute to the improvement of irradiation protocols for the most beneficial induction of anti-tumor immunity.

Contribution of nanointerfaces to colossal permittivity of doped Ba(Ti,Sn)O3 ceramics

NASA Astrophysics Data System (ADS)

V'yunov, Oleg; Reshytko, Borys; Belous, Anatolii; Kovalenko, Leonid

2018-03-01

The microstructure, crystal chemical parameters and electrical-physical properties of samples of barium titanate-based dielectric and semiconductor ceramics were investigated in a wide frequency range. The contributions of different nanointerfaces to the permittivity of samples under investigation have been determined.

Swinging Symmetry, Multiple Structural Phase Transitions, and Versatile Physical Properties in RECuGa3 (RE = La-Nd, Sm-Gd).

PubMed

Subbarao, Udumula; Rayaprol, Sudhindra; Dally, Rebecca; Graf, Michael J; Peter, Sebastian C

2016-01-19

The compounds RECuGa3 (RE = La-Nd, Sm-Gd) were synthesized by various techniques. Preliminary X-ray diffraction (XRD) analyses at room temperature suggested that the compounds crystallize in the tetragonal system with either the centrosymmetric space group I4/mmm (BaAl4 type) or the non-centrosymmetric space group I4mm (BaNiSn3 type). Detailed single-crystal XRD, neutron diffraction, and synchrotron XRD studies of selected compounds confirmed the non-centrosymmetric BaNiSn3 structure type at room temperature with space group I4mm. Temperature-dependent single-crystal XRD, powder XRD, and synchrotron beamline measurements showed a structural transition between centro- and non-centrosymmetry followed by a phase transition to the Rb5Hg19 type (space group I4/m) above 400 K and another transition to the Cu3Au structure type (space group Pm3̅m) above 700 K. Combined single-crystal and synchrotron powder XRD studies of PrCuGa3 at high temperatures revealed structural transitions at higher temperatures, highlighting the closeness of the BaNiSn3 structure to other structure types not known to the RECuGa3 family. The crystal structure of RECuGa3 is composed of eight capped hexagonal prism cages [RE4Cu4Ga12] occupying one rare-earth atom in each ring, which are shared through the edge of Cu and Ga atoms along the ab plane, resulting in a three-dimensional network. Resistivity and magnetization measurements demonstrated that all of these compounds undergo magnetic ordering at temperatures between 1.8 and 80 K, apart from the Pr and La compounds: the former remains paramagnetic down to 0.3 K, while superconductivity was observed in the La compound at T = 1 K. It is not clear whether this is intrinsic or due to filamentary Ga present in the sample. The divalent nature of Eu in EuCuGa3 was confirmed by magnetization measurements and X-ray absorption near edge spectroscopy and is further supported by the crystal structure analysis.

Identification of a novel box C/D snoRNA from mouse nucleolar cDNA library.

PubMed

Zhou, Hui; Zhao, Jin; Yu, Chuan-He; Luo, Qing-Jun; Chen, Yue-Qin; Xiao, Yu; Qu, Liang-Hu

2004-02-18

By construction and screen of mouse nucleolar cDNA library, a novel mammalian small nucleolar RNAs (snoRNA) was identified. The novel snoRNA, 70 nt in length, displays structural features typical of C/D box snoRNA family. The snoRNA possesses an 11-nt-long rRNA antisense element and is predicted to guide the 2'-O-methylation of mouse 28S rRNA at G4043, a site unknown so far to be modified in vertebrates. The comparison of functional element of snoRNA guides among eukaryotes reveals that the novel snoRNA is a mammalian counterpart of yeast snR38 despite highly divergent sequence between them. Mouse and human snR38 and other cognates in distant vertebrates were positively detected with slight length variability. As expected, the rRNA ribose-methylation site predicted by mouse snR38 was precisely mapped by specific-primer extension assay. Furthermore, our analyses show that mouse and human snR38 gene have multiple variants and are nested in the introns of different host genes with unknown function. Thus, snR38 is a phylogenetically conserved methylation guide but exhibits different genomic organization in eukaryotes.

Preparation of hair for measurement of elements by inductively coupled plasma-mass spectrometry (ICP-MS).

PubMed

Puchyr, R F; Bass, D A; Gajewski, R; Calvin, M; Marquardt, W; Urek, K; Druyan, M E; Quig, D

1998-06-01

The preparation of hair for the determination of elements is a critical component of the analysis procedure. Open-beaker, closed-vessel microwave, and flowthrough microwave digestion are methods that have been used for sample preparation and are discussed. A new digestion method for use with inductively coupled plasma-mass spectrometry (ICP-MS) has been developed. The method uses 0.2 g of hair and 3 mL of concentrated nitric acid in an atmospheric pressure-low-temperature microwave digestion (APLTMD) system. This preparation method is useful in handling a large numbers of samples per day and may be adapted to hair sample weights ranging from 0.08 to 0.3 g. After digestion, samples are analyzed by ICP-MS to determine the concentration of Li, Be, B, Na, Mg, Al, P, S, K, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ge, As, Se, Rb, Sr, Zr, Mo, Pd, Ag, Cd, Sn, Sb, I, Cs, Ba, Pt, Au, Hg, Tl, Pb, Bi, Th, and U. Benefits of the APLTMD include reduced contamination and sample handling, and increased precision, reliability, and sample throughput.

Pivotal Advance: Heme oxygenase 1 expression by human CD4+ T cells is not sufficient for their development of immunoregulatory capacity.

PubMed

Biburger, Markus; Theiner, Gabi; Schädle, Mirjam; Schuler, Gerold; Tiegs, Gisa

2010-02-01

HO-1 is the only inducible one of three isoenzymes that catalyzes the oxidative degradation of heme. HO-1 is inducible by various cellular stress factors and exerts cytoprotective and immunomodulatory effects. Recent publications demonstrated that HO-1 is constitutively expressed by CD4(+)CD25(+) T(regs) and induced in CD4(+)CD25(-) T cells upon FoxP3 transfection. Here, we investigated whether HO-1 was essential and sufficient for human T(regs) to exert immunosuppression in vitro. PGJ(2) induced pronounced expression of HO-1 in CD4(+)CD25(-) T cells without accompanying FoxP3 induction. Treatment of CD4(+)CD25(-) T cells with PGJ(2) decreased their proliferation, whereas the HO-1 inhibitor SnPP enhanced the proliferation of HO-1-expressing T(regs), suggesting that HO-1 may modulate the proliferative capacity of T lymphocytes. HO-1 modulation by SnPP treatment of T(regs) or PGJ(2) treatment of CD4(+)CD25(-) T cells neither suppressed nor induced immune-modulatory function in these cells, respectively, as measured by responder-cell proliferation and/or IL-2 production. In summary, these data suggest that HO-1 expression by T(regs) might contribute to their typical reluctance to proliferate but does not account independently for their suppressive functions.

Data from geologic investigations in the Yemen Arab Republic during 1976

USGS Publications Warehouse

Grolier, Maurice J.; Domenico, J.A.; Donato, Mary; Tibbitts, G.C.; Overstreet, W.C.; Ibrahim, Mohammad Mukred

1977-01-01

The results of semiquantitative spectrographic analyses for 31 elements in 126 specimens of rocks from the Yemen Arab Republic, collected mainly during February 1976 from the Precambrian area in the southeastern part of the country, provide background data for use in geochemical evaluation of areas potentially favorable for mineral deposits. Gold and thorium were undetected; the lower limits of determination are 10 parts per million (ppm) and 20 ppm, respectively. For the other elements, the abundances follow geochemical norms for crustal distribution: (1) Fe, Nb, and Zr in Holocene weathering products; (2) Ca and Sr in Pliocene limestone; (3) Mo in Pliocene(?) or Miocene(?) dikes; (4) Be, La, and Sn in Miocene(?) alkalic granite; (5) As, Be, and La in Tertiary and/or Cretaceous felsic tuff; (6) V in Tertiary and/or Cretaceous carbonaceous sedimentary rocks interbedded with volcanic rocks; (7) Be, La, Sn, and Zr in Tertiary and/or Cretaceous undivided volcanics; (8) Sn and W in Precambrian felsite and pegmatite; (9) Co, Cr, Ni, and Ti in Precambrian mafic rocks; (10) Mg and Sr in Precambrian marble and calcsilicate rocks; (11) Y in Precambrilan schist; (12) B and Sc dispersed in rocks of many ages; and (13) Ag, Ba, Bi, Cd, Cu, Mn, Pb, Sb, Sn, and Zn in a hydrothermal replacement deposit in Precambrian sediment. None of the rocks contained as much as 205 ppm equivalent uranium. The highest values for Ag, Cu, Pb, Zn, and Cd were obtained on a sample of hydrothermally altered siltstone not personally collected by the writers. It was said to have come from the Ma'rib area in the eastern part of the Yemen Arab Republic. The source must be studied, because this single sample is high-grade base-metal ore. Among the samples collected by the writers, the economically most significant are altered tuffs, ignimbrites, and felsites exposed between Jibal Hufash and Manakhah on the road from Hudaydah to San'a'. They are strongly anomalous for As and weakly anomalous, variously, for Hg, Mo, and Pb, which elements may constitute an epigenetic dispersion pattern from hidden sulfide deposits. Inasmuch as chalcopyrite and native copper have been reported in the vicinity of Jabal Haraz in the Manakhah area, the rocks of the Yemen Volcanics in this region should be explored for base-metal sulfide deposits. The first results of paleontologic examinations of fossils collected during 1975 and 1976 are presented, as are a list of Landsat images covering the Yemen Arab Republic, and a selected bibliography of reports on geology and the allied sciences relating to the Yemen Arab Republic.

Stable coordination of the inhibitory Ca2+ ion at MIDAS in integrin CD11b/CD18 by an antibody-derived ligand aspartate: Implications for integrin regulation and structure-based drug design

PubMed Central

Mahalingam, Bhuvaneshwari; Ajroud, Kaouther; Alonso, Jose Luis; Anand, Saurabh; Adair, Brian; Horenstein, Alberto L; Malavasi, Fabio; Xiong, Jian-Ping; Arnaout, M. Amin

2011-01-01

A central feature of integrin interaction with physiologic ligands is the monodentate binding of a ligand carboxylate to a Mg2+ ion hexacoordinated at the metal-ion-dependent-adhesion site (MIDAS) in the integrin A-domain. This interaction stabilizes the A-domain in the high-affinity state, which is distinguished from the default low-affinity state by tertiary changes in the domain that culminate in cell adhesion. Small molecule ligand-mimetic integrin antagonists act as partial agonists, eliciting similar activating conformational changes in the A-domain, which has contributed to paradoxical adhesion and increased patient mortality in large clinical trials. As with other ligand-mimetic integrin antagonists, the function-blocking monoclonal antibody (mAb) 107 binds MIDAS of integrin CD11b/CD18 A-domain (CD11bA), but in contrast, it favors the inhibitory Ca2+ ion over Mg2+ at MIDAS. We determined the crystal structures of the Fab fragment of mAb 107 complexed to the low- and high-affinity states of CD11bA. Favored binding of Ca2+ at MIDAS is caused by the unusual symmetric bidentate ligation of a Fab-derived ligand Asp to a heptacoordinated MIDAS Ca2+. Binding of Fab 107 to CD11bA did not trigger the activating tertiary changes in the domain or in the full-length integrin. These data show that denticity of the ligand Asp/Glu can modify divalent cation selectivity at MIDAS and hence integrin function. Stabilizing the Ca2+ ion at MIDAS by bidentate ligation to a ligand Asp/Glu may provide one approach for designing pure integrin antagonists. PMID:22095715

Seasonal dynamics of meltwater chemistry on the Tibetan Plateau and insights into the hydrologic and hydrochemical process coupling and sampling strategy

NASA Astrophysics Data System (ADS)

Li, X.; Ding, Y.; He, X.; Han, T.

2017-12-01

Meltwater chemistry was examined at the Dongkemadi Glacier (DG) basin on the Tibetan Plateau (TP) over a full melt season of 2013. Results showed that concentrations of most solutes (e.g. Li, B, Sc, Fe, Rb, Sr, Mo, Ba and U) (Group 1) exhibit pronounced seasonal variations, but some (e.g. NH4+, F-, Al, Cr, Mn, Co, Cu, Zn, Y, Cd, Sn, Pb, Bi and Th) (Group 2) show a random change. Concentration-discharge for Group 1 was dominated by a well-defined power law relation, with the magnitude of exponent (-0.79 to -0.24) and R2 values (p<0.001) lower on rising than falling limbs. This has important implications for efforts to estimate daily concentrations for Group 1 from glaciers where only glacial discharge is available. Although concentrations of some solutes are not related to discharge, fluxes of almost all solutes, except for NH4+, Cu, Zn, Cd, Sn, are positively correlated to discharge, exhibiting a good power law relation (0.27

Development of SnS (FTO/CdS/SnS) thin films by nebulizer spray pyrolysis (NSP) for solar cell applications

NASA Astrophysics Data System (ADS)

Arulanantham, A. M. S.; Valanarasu, S.; Jeyadheepan, K.; Ganesh, V.; Shkir, Mohd

2018-01-01

Herein we report a well-organized analysis on various key-properties of SnS thin films for solar cell fabricated by nebulizer spray pyrolysis technique. X-ray diffraction study reveals the polycrystalline nature of deposited films with orthorhombic crystal structure. The crystallite size was calculated and observed to be in the range of 8-28 nm with increasing molarity of precursor solution. The stoichiometry composition of SnS was confirmed by EDX study. SEM/AFM studies divulge the well-covered deposited surface with spherical grains and the size of grains is increasing with concentration and so the roughness. A remarkable decrease in band gap from 2.6 eV to 1.6 eV was noticed by raising the molar concentration from 0.025 M up to 0.075 M. A single strong emission peak at about 825 nm is observed in PL spectra with enhanced intensity which may be attributed to near band edge emission. From the Hall effect measurement, it was found that the SnS thin film exhibits p-type conductivity. The calculated values of resistivity and carrier concentration are 0.729 Ω cm and 3.67 × 1018/cm3 respectively. Furthermore, to study the photovoltaic properties of SnS thin films a heterojunction solar cell, FTO/n-CdS/p-SnS was produced and the conversion efficiency was recorded about 0.01%.

Dopamine-induced changes in neural network patterns supporting aversive conditioning.

PubMed

Diaconescu, Andreea Oliviana; Menon, Mahesh; Jensen, Jimmy; Kapur, Shitij; McIntosh, Anthony Randal

2010-02-08

The aim of the present paper is to assess the effects of altered dopamine (DA) transmission on the functional connectivity among brain regions mediating aversive conditioning in humans. To this aim, we analyzed a previous published data set from a double-blind design combined with functional magnetic resonance imaging (fMRI) recordings in which healthy volunteers were randomly assigned to one of three drug groups: amphetamine (an indirect DA agonist), haloperidol (DA D2 receptor antagonist), and placebo. Participants were exposed to an aversive classical conditioning paradigm using cutaneous electrical stimulation as the unconditioned stimulus (US), and visual cues as the conditioned stimuli (CS) where one colour (CS+) was followed by the US in 33% of the trials and another colour (CS-) had no consequences. All participants reported awareness of stimulus contingencies. Group analysis of fMRI data revealed that the left ventral striatum (VS) and amygdala activated in response to the CS+ in all the three groups. Because of their activation patterns and documented involvement in aversive conditioning, both regions were used as seeds in the functional connectivity analysis. To constrain the functional networks obtained to relate to the conditioned response, we also correlated seed activity with the Galvanic Skin Response (GSR). In the placebo group, the right ventral tegmental area/substantia nigra (VTA/SN), bilateral caudate, right parahippocampal gyrus, left inferior parietal lobule (IPL), bilateral postcentral gyrus, bilateral middle frontal (BA 46), orbitofrontal, and ventromedial prefrontal cortices (PFC, BA 10/11) correlated with the VS and amygdala seeds in response to the CS+ compared to the CS-. Enhancing dopamine transmission via amphetamine was associated with reduced task differences and significant functional connectivity for both CS+ and CS- conditions between the left VS seed and regions modulated by DA, such as the left VTA/SN, right caudate, left amygdala, left middle frontal gyrus (BA 46), and bilateral ventromedial PFC (BA 10). Blocking dopamine transmission via haloperidol was associated with significant functional connectivity across an alternate network of regions including the left amygdala seed and the right insula, the left ACC (BA 24/32), bilateral IPL (BA 40), precuneus (BA 7), post-central gyrus, middle frontal gyrus (BA 46), and supplementary motor area (SMA, BA 6) to the CS+ versus the CS-. These data provide insight into the distinct effects of DA agents on the functional connectivity between striatal, limbic, and prefrontal areas. Copyright 2009 Elsevier B.V. All rights reserved.

Assessment of total soil and plant trace elements in rice-based production systems in NE Italy

NASA Astrophysics Data System (ADS)

Bini, Claudio; Nadimi-Goki, Mandana; Kato, Yoichi; Vianello, Gilmo; Vittori, Livia; Wahsha, Mohammad; Spiandorello, Massimo

2014-05-01

Macro- and micronutrients concentrations, and PTEs contents in soils and plants (rice) from the rice district in the Venetian territory (NE Italy) have been determined by ICP-MS spectrometry, with the following aims: - to determine the background levels of macro- and microelements in the study area; - to assess possible contamination of soils and plants; - to calculate the Translocation Factor (TF) of metals from soil to plant, and the possible hazard for human health. Four rice plots with different rotation systems were investigated from seedling time to harvesting; sampling of soils (0-30cm) and plants was carried out 4 times during growing season (three replicates). Rice plants were separated into roots, stems, leaves and grains, and then oven-dried. Chemical and physical analyses were carried out at the Soil Science Lab of the University of Bologna and Venice, respectively. The results obtained point to a land with moderate soil contamination by trace elements (namely Li, Sn, Tl, Sr, Ti, Fe). Heavy metal (Sb, As, Be, Cd, Co, Cr, Ni, Pb, Cu, V, Zn ) concentrations in soils are below the threshold indicated by the Italian legislation (DM 152/2006). Cd, Sn, and Ti contents in soils are positively correlated with soil pH, while As, Fe, Li, Ti, Tl and Zn are negatively correlated with organic matter content. With the exception of Strontium, soil metal contents are always correlated between variable couples. HMs in plants vary according to the sampling season, texture and moisture, and soil pH. Most non-essential trace elements are accumulated in rice roots and, only in cases of essential micronutrients, in leaves. Therefore, rice can be assumed as an accumulator plant of As, Pb, Cr, Ba, and Ti, whereas it is as an indicator plant for Cu, Fe, Ni, Mn and Zn. The results of multiple linear regression analysis showed that soil pH has a larger effect on Ba, Cr, Cu, Fe, Mn, Ni, Ti and Zn concentrations in grain than other soil parameters. The average translocation of metals from soil to root was found to be >1, irrespective of the essential/not essential function; conversely, only essential elements ((Cu, Fe, Mn, Zn) are translocated rather easily from roots to leaves (TF ≤1) via phloem (TF< <1), and very little translocated to grains (TF< <1). Therefore, it is suggested that rice could be useful in contaminated-sites restoration projects by the phytostabilization technique. Moreover, there is very limited hazard for human population consuming rice crops. Key Words: Macro- and micronutrients concentrations, heavy metals, trace elements, rice plant, Italy, accumulator plant, indicator plant * Corresponding author. Tel.: +39 3891356251 E-mail address: mandy.nadimi@gmail.com

First principles calculations of point defect diffusion in CdS buffer layers: Implications for Cu(In,Ga)(Se,S){sub 2} and Cu{sub 2}ZnSn(Se,S){sub 4}-based thin-film photovoltaics

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

Varley, J. B.; Lordi, V.; He, X.

2016-01-14

We investigate point defects in CdS buffer layers that may arise from intermixing with Cu(In,Ga)Se{sub 2} (CIGSe) or Cu{sub 2}ZnSn(S,Se){sub 4} (CZTSSe) absorber layers in thin-film photovoltaics (PV). Using hybrid functional calculations, we characterize the migration barriers of Cu, In, Ga, Se, Sn, Zn, Na, and K impurities and assess the activation energies necessary for their diffusion into the bulk of the buffer. We find that Cu, In, and Ga are the most mobile defects in CIGS-derived impurities, with diffusion expected to proceed into the buffer via interstitial-hopping and cadmium vacancy-assisted mechanisms at temperatures ∼400 °C. Cu is predicted to stronglymore » favor migration paths within the basal plane of the wurtzite CdS lattice, which may facilitate defect clustering and ultimately the formation of Cu-rich interfacial phases as observed by energy dispersive x-ray spectroscopic elemental maps in real PV devices. Se, Zn, and Sn defects are found to exhibit much larger activation energies and are not expected to diffuse within the CdS bulk at temperatures compatible with typical PV processing temperatures. Lastly, we find that Na interstitials are expected to exhibit slightly lower activation energies than K interstitials despite having a larger migration barrier. Still, we find both alkali species are expected to diffuse via an interstitially mediated mechanism at slightly higher temperatures than enable In, Ga, and Cu diffusion in the bulk. Our results indicate that processing temperatures in excess of ∼400 °C will lead to more interfacial intermixing with CdS buffer layers in CIGSe devices, and less so for CZTSSe absorbers where only Cu is expected to significantly diffuse into the buffer.« less

Increased Zn/Glutathione Levels and Higher Superoxide Dismutase-1 Activity as Biomarkers of Oxidative Stress in Women with Long-Term Dental Amalgam Fillings: Correlation between Mercury/Aluminium Levels (in Hair) and Antioxidant Systems in Plasma

PubMed Central

Cabaña-Muñoz, María Eugenia; Parmigiani-Izquierdo, José María; Bravo-González, Luis Alberto; Kyung, Hee-Moon; Merino, José Joaquín

2015-01-01

Background The induction of oxidative stress by Hg can affect antioxidant enzymes. However, epidemiological studies have failed to establish clear association between dental fillings presence and health problems. Objectives To determine whether heavy metals (in hair), antioxidant enzymes (SOD-1) and glutathione levels could be affected by the chronic presence of heavy metals in women who had dental amalgam fillings. Materials and Methods 55 hair samples (42 females with amalgam fillings and 13 female control subjects) were obtained. All subjects (mean age 44 years) who had dental amalgam filling for more than 10 years (average 15 years). Certain metals were quantified by ICP-MS (Mass Spectrophotometry) in hair (μg/g: Al, Hg, Ba, Ag, Sb, As, Be, Bi, Cd, Pb, Pt, Tl, Th, U, Ni, Sn, Ti) and SOD-1 and Glutathione (reduced form) levels in plasma. Data were compared with controls without amalgams, and analyzed to identify any significant relation between metals and the total number of amalgam fillings, comparing those with four or less (n = 27) with those with more than four (n = 15). As no significant differences were detected, the two groups were pooled (Amlgam; n = 42). Findings Hg, Ag, Al and Ba were higher in the amalgam group but without significant differences for most of the heavy metals analyzed. Increased SOD-1 activity and glutathione levels (reduced form) were observed in the amalgam group. Aluminum (Al) correlated with glutathione levels while Hg levels correlated with SOD-1. The observed Al/glutathione and Hg/SOD-1 correlation could be adaptive responses against the chronic presence of mercury. Conclusions Hg, Ag, Al and Ba levels increased in women who had dental amalgam fillings for long periods. Al correlated with glutathione, and Hg with SOD-1. SOD-1 may be a possible biomarker for assessing chronic Hg toxicity. PMID:26076368

Partition coefficient of cadmium between organic soils and bean and oat plants

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

Siddqui, M.F.R.; Courchesne, F.; Kennedy, G.

Environmental fate models require the partition coefficient data of contaminants among two or more environmental compartments. The bioaccumulation of cadmium (Cd) by bean and oat plants grown on organic soils in a controlled growth chamber was investigated to validate the plant/soil partition coefficient. Total Cd was measured in the soils and in the different parts of the plants. The mean total Cd concentrations for soil cultivated with beans and oats were 0.86 and 0.69 {micro}g/g, respectively. Selective extractants (BaCl{sub 2}, Na-pyrophosphate and HNO{sub 3}-hydroxy) were used to evaluate solid phase Cd species in the soil. In the soil cultivated withmore » bean, BaCl{sub 2} exchangeable, Na-pyrophosphate extractable and HNO{sub 3}-NH{sub 2}OH extractable Cd represented 1.2, 1.6 and 50.9% of total soil Cd, respectively. For the soil cultivated with oats, the same extractants gave values of 1.1, 1.8 and 61.9%. Cd concentration levels in bean plants followed the sequence roots > fruits = stems > leaves (p < 0.01) while the following sequence was observed for oat plants: roots > fruits > stems > leaves (p < 0.05). The partition coefficient for total Cd (Cd{sub Plant tissue}/Cd{sub Soil}) was in the range of 0.28--0.55 for bean plants and 1.03--1.86 for oat plants.« less

Activation by divalent cations of a Ca2+-activated K+ channel from skeletal muscle membrane.

PubMed

Oberhauser, A; Alvarez, O; Latorre, R

1988-07-01

Several divalent cations were studied as agonists of a Ca2+-activated K+ channel obtained from rat muscle membranes and incorporated into planar lipid bilayers. The effect of these agonists on single-channel currents was tested in the absence and in the presence of Ca2+. Among the divalent cations that activate the channel, Ca2+ is the most effective, followed by Cd2+, Sr2+, Mn2+, Fe2+, and Co2+. Mg2+, Ni2+, Ba2+, Cu2+, Zn2+, Hg2+, and Sn2+ are ineffective. The voltage dependence of channel activation is the same for all the divalent cations. The time-averaged probability of the open state is a sigmoidal function of the divalent cation concentration. The sigmoidal curves are described by a dissociation constant K and a Hill coefficient N. The values of these parameters, measured at 80 mV are: N = 2.1, K = 4 X 10(-7) mMN for Ca2+; N = 3.0, K = 0.02 mMN for Cd2+; N = 1.45, K = 0.63 mMN for Sr2+; N = 1.7, K = 0.94 mMN for Mn2+; N = 1.1, K = 3.0 mMN for Fe2+; and N = 1.1 K = 4.35 mMN for Co2+. In the presence of Ca2+, the divalent cations Cd2+, Co2+, Mn2+, Ni2+, and Mg2+ are able to increase the apparent affinity of the channel for Ca2+ and they increase the Hill coefficient in a concentration-dependent fashion. These divalent cations are only effective when added to the cytoplasmic side of the channel. We suggest that these divalent cations can bind to the channel, unmasking new Ca2+ sites.

Geochronology and petrogenesis of the Early Cretaceous A-type granite from the Feie'shan W-Sn deposit in the eastern Guangdong Province, SE China: Implications for W-Sn mineralization and geodynamic setting

NASA Astrophysics Data System (ADS)

Liu, Peng; Mao, Jingwen; Santosh, M.; Bao, Zhian; Zeng, Xiaojian; Jia, Lihui

2018-02-01

The Feie'shan greisen-type W-Sn deposit in the eastern Guangdong Province forms part of the Southeastern Coastal Metallogenic Belt (SCMB) in South China. Here we present zircon LA-ICP-MS U-Pb geochronology of the biotite granite which shows a weighted mean 206Pb/238U age of 134.7 ± 2.0 Ma, consistent with the zircon U-Pb, biotite 40Ar-39Ar and molybdenite Re-Os ages in the previous study. The biotite granite is peraluminous and belongs to high-K calc-alkaline type. It is characterized by high SiO2, K2O, F, K2O + Na2O and FeOt/(FeOt + MgO), and low CaO, MgO, TiO2 and P2O5 contents, enrichment in Rb, Cs, Th and U, and depletion in Ba, Sr, Zr, Ti and P, with flat REE patterns and distinctly negative Eu anomalies, showing an A2-type affinity. The rocks also display extremely low Ba, Sr and Ti concentrations and high Rb/Sr, Rb/Ba and low CaO/(Na2O + K2O) ratios, indicating high degree of fractionation. Zircon grains from the granite have low Eu/Eu* and Ce4 +/Ce3 + ratios, suggesting low oxygen fugacity. The highly fractionated and reduced features imply that the Feie'shan mineralization is genetically related to the biotite granite. The εNd(t) values and zircon εHf(t) values of the biotite granite range from - 2.96 to - 1.95 and - 5.69 to 0.62, with two-stage Nd and Hf model ages (TDM2) of 1083 to 1164 Ma and 1150 to 1552 Ma, indicating that they were derived from magma hybridization between anatectic granitic and mantle-derived mafic magmas. In combination with previous studies, we propose a geodynamic model for the 145―135 Ma W-Sn mineral system and related magmatism in the southwestern domain of the SCMB. After ca. 145 Ma, the subduction orientation of the Izanagi plate changed from oblique to parallel with respect to the continental margin resulting in large-scale lithosphere extension and thinning, which led to the upwelling of asthenosphere. The ascending mantle-derived mafic magmas provided not only supplied the heat for crustal remelting but also added juvenile mantle-derived melts resulting in the formation of mafic dikes, and I- or A-type granitic intrusions related to the W-Sn ore mineral systems.

Characterization of polycyclic aromatic hydrocarbons in fugitive PM10 emissions from an integrated iron and steel plant.

PubMed

Khaparde, V V; Bhanarkar, A D; Majumdar, Deepanjan; Rao, C V Chalapati

2016-08-15

Fugitive emissions of PM10 (particles <10μm in diameter) and associated polycyclic aromatic hydrocarbons (PAHs) were monitored in the vicinity of coking unit, sintering unit, blast furnace and steel manufacturing unit in an integrated iron and steel plant situated in India. Concentrations of PM10, PM10-bound total PAHs, benzo (a) pyrene, carcinogenic PAHs and combustion PAHs were found to be highest around the sintering unit. Concentrations of 3-ring and 4-ring PAHs were recorded to be highest in the coking unit whereas 5-and 6-ring PAHs were found to be highest in other units. The following indicatory PAHs were identified: indeno (1,2,3-cd) pyrene, dibenzo (a,h) anthracene, benzo (k) fluoranthene in blast furnace unit; indeno (1,2,3-cd) pyrene, dibenzo (a,h) anthracene, chrysene in sintering unit; Anthracene, fluoranthene, chrysene in coking unit and acenaphthene, fluoranthene, fluorene in steel making unit. Total-BaP-TEQ (Total BaP toxic equivalent quotient) and BaP-MEQ (Total BaP mutagenic equivalent quotient) concentration levels ranged from 2.4 to 231.7ng/m(3) and 1.9 to 175.8ng/m(3), respectively. BaP and DbA (dibenzo (a,h) anthracene) contribution to total-BaP-TEQ was found to be the highest. Copyright © 2016 Elsevier B.V. All rights reserved.

Measurement of excitation functions and analysis of isomeric population in some reactions induced by proton on natural indium at low energy

NASA Astrophysics Data System (ADS)

Muhammed Shan, P. T.; Musthafa, M. M.; Najmunnisa, T.; Mohamed Aslam, P.; Rajesh, K. K.; Hajara, K.; Surendran, P.; Nair, J. P.; Shanbagh, Anil; Ghugre, S.

2018-06-01

The excitation functions for reaction residues populated via 115In(p , p) 115 mIn, 115In(p , pn) 114 mIn, 115In(p , p 2 n) 113 mIn, 113In(p , p) 113 mIn, 115In(p , nα) 111 mCd, 115In(p , 3 n) 113Sn and 113In(p , n) 113Sn channels were measured over the proton energy range of 8-22 MeV using stacked foil activation technique. Theoretical analysis of the data were performed within the framework of two statistical model codes EMPIRE-3.2 and TALYS-1.8. Isomeric cross section ratio for isomeric pairs m,g 115In, m,g 114In, m,g 113In, 113Sn m,g and m,g 111Cd were determined for the first time. The dependence of isomeric cross section ratio on various factors are analysed.

Metallicity Gradients in the Intracluster Gas of Abell 496

NASA Astrophysics Data System (ADS)

Dupke, Renato A.; White, Raymond E., III

2000-07-01

Analysis of spatially resolved ASCA spectra of the intracluster gas in Abell 496 confirms there are mild metal abundance enhancements near the center, as previously found in a joint analysis of spectra from Ginga Large Area Counter and Einstein solid state spectrometer. Simultaneous analysis of spectra from all ASCA instruments (SIS+GIS) shows that the iron abundance is 0.36+/-0.03 solar 3'-12' from the center of the cluster and rises ~50% to 0.53+/-0.04 solar within the central 2'. The F-test shows that this abundance gradient is significant at the more than 99.99% level. Nickel and sulfur abundances are also centrally enhanced. We use a variety of elemental abundance ratios to assess the relative contribution of Type Ia supernovae (SNe Ia) and Type II supernovae (SNe II) to the metal enrichment of the intracluster gas. We find spatial gradients in several abundance ratios, indicating that the fraction of iron from SNe Ia increases toward the cluster center, with SNe Ia accounting for ~50% of the iron mass 3'-12' from the center and ~70% within 2'. The increased proportion of SN Ia ejecta at the center is such that the central iron abundance enhancement can be attributed wholly to SNe Ia; we find no significant gradient in SN II ejecta. These spatial gradients in the proportion of SN Ia/II ejecta imply that the dominant metal enrichment mechanism near the center is different than in the outer parts of the cluster. We show that the central abundance enhancement is unlikely to be due to ram pressure stripping of gas from cluster galaxies or to secularly accumulated stellar mass loss within the central cD. We suggest that the additional SN Ia ejecta near the center is the vestige of a secondary SN Ia-driven wind from the cD (following a more energetic protogalactic SN II-driven wind phase), which was partially smothered in the cD due to its location at the cluster center.

A thermodynamic database for tellurium-bearing systems relevant to nuclear technology

NASA Astrophysics Data System (ADS)

Chattopadhyay, G.; Juneja, J. M.

1993-06-01

A thermodynamic database for tellurium-bearing condensed phases and gaseous species which are relevant to nuclear technology is presented. It contains phase diagrams of the binary systems, PdTe, RhTe, PuTe, SmTe, CsTe, ZrTe, of the ternary systems, ZrTeO, MoTeO, AgTeO, UTeO, CsTeO, BaTeO as well as thermodynamic data for crystalline and liquid Te, for the solid phases Cs 2Te, Ag 2Te, SnTe, BaTe, CeTe, SmTe, RuTe 2, ZrTe 2, Fe 0.53Te 0.47, Mo 0.43Te 0.57, Cr 0.43Te 0.57, Ni 0.5Te 0.4, Cs 2TeO 3 and for the gaseous species, Te, Te 2, TeO, TeO 2, TeO(OH) 2, H 2Te, TeI, TeI 2, TeI 4, TeOI 2, SnTe, Sn 2Te 2, SnTe 2.

ARPES study of the epitaxially grown topological crystalline insulator SnTe(111)

DOE PAGES

Zhang, Yi; Liu, Zhongkai; Zhou, Bo; ...

2016-10-18

We present that SnTe is a prototypical topological crystalline insulator, in which the gapless surface state is protected by a crystal symmetry. The hallmark of the topological properties in SnTe is the Dirac cones projected to the surfaces with mirror symmetry, stemming from the band inversion near the L points of its bulk Brillouin zone, which can be measured by angle-resolved photoemission. We have obtained the (111) surface of SnTe film by molecular beam epitaxy on BaF 2(111) substrate. Photon-energy-dependence of in situ angle-resolved photoemission, covering multiple Brillouin zones in the direction perpendicular to the (111) surface, demonstrate the projected Dirac cones at themore » $$\\overline{Γ}$$ and $$\\overline{M}$$ points of the surface Brillouin zone. Additionally, we observe a Dirac-cone-like band structure at the Γ point of the bulk Brillouin zone, whose Dirac energy is largely different from those at the $$\\overline{Γ}$$ and $$\\overline{M}$$ points.« less

Application of ICP-OES for evaluating energy extraction and production wastewater discharge impacts on surface waters in Western Pennsylvania.

PubMed

Pancras, Joseph Patrick; Norris, Gary A; Landis, Matthew S; Kovalcik, Kasey D; McGee, John K; Kamal, Ali S

2015-10-01

Oil and gas extraction and coal-fired electrical power generating stations produce wastewaters that are treated and discharged to rivers in Western Pennsylvania with public drinking water system (PDWS) intakes. Inductively coupled plasma optical emission spectroscopy (ICP-OES) was used to quantify inorganic species in wastewater and river samples using a method based on EPA Method 200.7 rev4.4. A total of 53 emission lines from 30 elements (Al, As, B, Ba, Ca, Cd, Ce, Co, Cr, Cu, Fe, K, Li, Mg, Mn, Mo, Na, Ni, P, Pb, S, Sb, Se, Si, Sn, Sr, Ti, Tl, V, and Zn) were investigated. Samples were prepared by microwave-assisted acid digestion using a mixture of 2% HNO3 and 0.5% HCl. Lower interferences and better detection characteristics resulted in selection of alternative wavelengths for Al, As, Sb, Mg, Mo, and Na. Radial view measurements offered accurate determinations of Al, Ba, K, Li, Na, and Sr in high-brine samples. Spike recovery studies and analyses of reference materials showed 80-105% recoveries for most analytes. This method was used to quantify species in samples with high to low brine concentrations with method detection limits a factor of 2 below the maximum contaminant limit concentrations of national drinking water standards. Elements B, Ca, K, Li, Mg, Na, and Sr were identified as potential tracers for the sources impacting PDWS intakes. Usability of the ICP-OES derived data for factor analytic model applications was also demonstrated. Published by Elsevier B.V.

Health Risks and Contamination Levels of Heavy Metals in Dusts from Parks and Squares of an Industrial City in Semi-Arid Area of China

PubMed Central

Han, Xiufeng; Lu, Xinwei; Qinggeletu; Wu, Yongfu

2017-01-01

The contamination characteristics and health risk of barium (Ba), cobalt (Co), chromium (Cr), copper (Cu), manganese (Mn), nickel (Ni), lead (Pb), vanadium (V), zinc (Zn), arsenic (As), mercury (Hg), and cadmium (Cd) in samples of dust gathered from squares and parks of Baotou city, an industrial city situated in a semi-arid location of the northwest China were investigated. The contents of Ba, Co, Cr, Cu, Mn, Ni, V, Pb, and Zn in the collected dust samples were determined using X-ray fluorescence spectrometry, while the contents of As and Hg in the dust were investigated by use of the ICP-MS. Further, cadmium was quantified through the atomic absorption spectrometry. Levels of contamination of heavy metals analyzed in the dust samples were evaluated using the Geo-Accumulation index (Igeo) as well as through a Pollution Load Index (PLI). Their health risks to children and adults were evaluated based on the US EPA model of health risk. The findings portrayed that the mean concentrations of Ba, Co Cr, Cu, Pb, V, Cd, and Hg were elevated as compared with their local soil background values. Mean values of Igeo illustrate the order of Co > Cr> Cd > Hg > Pb > Cu > Ba > V > Ni > Mn > Zn > As. It was evident that dusts from the parks and squares were “unpolluted” to “moderately polluted”. Assessment of health risk depicts that ingestion is the foremost route of exposure in regard to the heavy metals, then the dermal adsorption follows. Hg exposure from dust might also set impending health threats to children. Besides, the cancer risks of Co, Cr, Ni, Cd, and As are considered to be within the presently tolerable range. PMID:28783109

Thermoelectric and transport properties of sintered n-type K{sub 8}Ba{sub 16}Ga{sub 40}Sn{sub 96} with type-II clathrate structure

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

Koda, Shota; Kishimoto, Kengo, E-mail: kkishi@yamaguchi-u.ac.jp; Asada, Hironori

This clathrate had a maximum dimensionless figure-of-merit, ZT, of 0.93 at 637 K, which was slightly higher than that of 0.83 for the sintered type-VIII clathrate Ba{sub 8}Ga{sub 16}Sn{sub 30}. We investigated the high-temperature thermoelectric properties, transport properties, electronic structures, and thermal stabilities of the clathrates. The type-II clathrate was found to be superior to the type-VIII clathrate as a thermoelectric material; it had a high thermal stability and melting point, 859 K, high mobility, 141 cm{sup 2}V{sup −1}s{sup −1} at 300 K, because of its low inertial mass, and low high-temperature lattice thermal conductivity, approximately 4 mW cm{sup −1}K{sup −1}, resulting frommore » a larger unit cell and weaker bipolar thermal conduction. We discuss these properties in terms of the electronic structure and the differences between the two types of clathrate.« less

(Ba1-x Bi x )(Ti1-x Ni0.5x Sn0.5x )O3 Solid Solution: Phase Evolution, Microstructure, Dielectric Properties, and Impedance Analysis

NASA Astrophysics Data System (ADS)

Chen, Xiuli; Li, Xiaoxia; Yan, Xiao; Liu, Gaofeng; Zhou, Huanfu

2018-02-01

(Ba1-x Bi x )(Ti1-x Ni0.5x Sn0.5x )O3 (BBTNS, 0.02 ≤ x ≤ 0.1) samples have been synthesized by traditional solid-state reaction technique and their structural transformation and dielectric properties investigated. X-ray diffraction (XRD) analysis revealed that BBTNS could form a homogeneous solid solution, and the transformation from tetragonal to pseudocubic phase occurred at 0.04 ≤ &!nbsp;x ≤ 0.06. Optimized properties with stable ɛ r (˜ 1829 to 1838), small Δɛ/ɛ 25°C values (± 15%) over a broad temperature range from -60°C to 140°C, and low tan Δ (≤ 0.02) from 4°C to 194°C were obtained at x = 0.1. The relaxation and conduction process in the high-temperature region are attributed to thermal activation, and oxygen vacancies may be the ionic charge carriers in perovskite ferroelectrics.

Wide bandgap BaSnO3 films with room temperature conductivity exceeding 104 S cm−1

PubMed Central

Prakash, Abhinav; Xu, Peng; Faghaninia, Alireza; Shukla, Sudhanshu; Ager, Joel W.; Lo, Cynthia S.; Jalan, Bharat

2017-01-01

Wide bandgap perovskite oxides with high room temperature conductivities and structural compatibility with a diverse family of organic/inorganic perovskite materials are of significant interest as transparent conductors and as active components in power electronics. Such materials must also possess high room temperature mobility to minimize power consumption and to enable high-frequency applications. Here, we report n-type BaSnO3 films grown using hybrid molecular beam epitaxy with room temperature conductivity exceeding 104 S cm−1. Significantly, these films show room temperature mobilities up to 120 cm2 V−1 s−1 even at carrier concentrations above 3 × 1020 cm−3 together with a wide bandgap (3 eV). We examine the mobility-limiting scattering mechanisms by calculating temperature-dependent mobility, and Seebeck coefficient using the Boltzmann transport framework and ab-initio calculations. These results place perovskite oxide semiconductors for the first time on par with the highly successful III–N system, thereby bringing all-transparent, high-power oxide electronics operating at room temperature a step closer to reality. PMID:28474675

pn junctions based on a single transparent perovskite semiconductor BaSnO3

NASA Astrophysics Data System (ADS)

Kim, Hoon Min; Kim, Useong; Park, Chulkwon; Kwon, Hyukwoo; Lee, Woongjae; Kim, Tai Hoon; Kim, Kee Hoon; Char, Kookrin; Mdpl, Department Of Physics; Astronomy Team; Censcmr, Department Of Physics; Astronomy Team

2014-03-01

Successful p doping of transparent oxide semiconductor will further increase its potential, especially in the area of optoelectronic applications. We will report our efforts to dope the BaSnO3 (BSO) with K by pulsed laser deposition. Although the K doped BSO exhibits rather high resistivity at room temperature, its conductivity increases dramatically at higher temperatures. Furthermore, the conductivity decreases when a small amount of oxygen was removed from the film, consistent with the behavior of p type doped oxides. We have fabricated pn junctions by using K doped BSO as a p type and La doped BSO as an n type material. I_V characteristics of these devices show the typical rectifying behavior of pn junctions. We will present the analysis of the junction properties from the temperature dependent measurement of their electrical properties, which shows that the I_V characteristics are consistent with the material parameters such as the carrier concentration, the mobility, and the bandgap. Our demonstration of pn junctions based on a single transparent perovskite semiconductor further enhances the potential of BSO system with high mobility and stability.

Wide bandgap BaSnO 3 films with room temperature conductivity exceeding 10 4 S cm -1

DOE PAGES

Prakash, Abhinav; Xu, Peng; Faghaninia, Alireza; ...

2017-05-05

Wide bandgap perovskite oxides with high room temperature conductivities and structural compatibility with a diverse family of organic/inorganic perovskite materials are of sign ificant interest as transparent conductors and as active components in power electronics. Such materials must also possess high room temperature mobility to minimize power consumption and to enable high-frequency applications. Here, we report n-type BaSnO 3 films grown using hybrid molecular beam epitaxy with room temperature conductivity exceeding 10 4 S cm -1 . Significantly, these films show room temperature mobilities up to 120 cm 2 V -1 s -1 even at carrier concentrations abovemore » 3 × 10 20 cm -3 together with a wide bandgap (3 eV). We examine the mobility-limiting scattering mechanisms by calculating temperature-dependent mobility, and Seebeck coefficient using the Boltzmann transport framework and ab-initio calculations. These results place perovskite oxide semiconductors for the first time on par with the highly successful III-N system, thereby bringing all-transparent, high-power oxide electronics operating at room temperature a step closer to reality.« less

A simple method for detection of gunshot residue particles from hands, hair, face, and clothing using scanning electron microscopy/wavelength dispersive X-ray (SEM/WDX).

PubMed

Kage, S; Kudo, K; Kaizoji, A; Ryumoto, J; Ikeda, H; Ikeda, N

2001-07-01

We devised a simple and rapid method for detection of gunshot residue (GSR) particles, using scanning electron microscopy/wavelength dispersive X-ray (SEM/WDX) analysis. Experiments were done on samples containing GSR particles obtained from hands, hair, face, and clothing, using double-sided adhesive coated aluminum stubs (tape-lift method). SEM/WDX analyses for GSR were carried out in three steps: the first step was map analysis for barium (Ba) to search for GSR particles from lead styphnate primed ammunition, or tin (Sn) to search for GSR particles from mercury fulminate primed ammunition. The second step was determination of the location of GSR particles by X-ray imaging of Ba or Sn at a magnification of x 1000-2000 in the SEM, using data of map analysis, and the third step was identification of GSR particles, using WDX spectrometers. Analysis of samples from each primer of a stub took about 3 h. Practical applications were shown for utility of this method.

Raman spectra of Nd/Sn cosubstituted Ba6-3xSm8+2xTi18O54 microwave dielectric ceramics

NASA Astrophysics Data System (ADS)

Wu, S. Y.; Li, Y.; Chen, X. M.

2004-11-01

The Raman spectra and dielectric properties of Nd /Sn cosubstituted Ba6-3xSm8+2xTi18O54 (x =2/3) microwave dielectric ceramics were discussed as the functions of composition and sintering time. The peaks in 753cm-1 were caused by the second order scatter. The peaks in 425 and 403cm-1 became sharper with prolonging sintering time, and this reflected the increased lattice defects. The shoulder peak near 292cm-1 was caused by the octahedral tilt when A site is Nd3+. The Raman shifts in 590, 520, 280, and 232cm-1 indicated no obvious change in position, but all peaks became sharper with prolonging sintering time. This indicated the increased ordering degree of A-site cations. With prolonging sintering time, the Qf factor (Q is the inverse of dielectric loss, tan δ, and f is the resonant frequency) increased, and the temperature coefficient of resonant frequency significantly decreased or became more negative, while the dielectric constant indicated no significant variation.

Current status of EVA degradation in Si modules and interface stability in CdTe/CdS modules

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

Czanderna, A.W.

1994-06-30

The goals, objectives, background, technical approach, status, and accomplishments on the PV Module Reliability Research Task are summarized for FY 1993. The accomplishments are reported in two elements, ethylene vinyl acetate (EVA) degradation and stability in CdTe/CdS modules. The EVA results are presented under the headings modified EVA and potential EVA replacements, degradation mechanisms, efficiency losses from yellowed EVA, and equipment acquisitions. The results on CdTe/CdS modules are presented under subheadings of stability of the SnO[sub 2]/CdS interface and degradation at the CdTe/CdS interface.

Cu doping concentration effect on the physical properties of CdS thin films obtained by the CBD technique

NASA Astrophysics Data System (ADS)

Albor Aguilera, M. L.; Flores Márquez, J. M.; Remolina Millan, A.; Matsumoto Kuwabara, Y.; González Trujillo, M. A.; Hernández Vásquez, C.; Aguilar Hernandez, J. R.; Hernández Pérez, M. A.; Courel-Piedrahita, M.; Madeira, H. T. Yee

2017-08-01

Cu(In, Ga)Se2 (CIGS) and Cu2ZnSnS4 (CZTS) semiconductors are direct band gap materials; when these types of material are used in solar cells, they provide efficiencies of 22.1% and 12.6%, respectively. Most traditional fabrication methods involve expensive vacuum processes including co-evaporation and sputtering techniques, where films and doping are conducted separately. On the other hand, the chemical bath deposition (CBD) technique allows an in situ process. Cu-doped CdS thin films working as a buffer layer on solar cells provide good performing devices and they may be deposited by low cost techniques such as chemical methods. In this work, Cu-doped CdS thin films were deposited using the CBD technique on SnO2:F (FTO) substrates. The elemental analysis and mapping reconstruction were conducted by EDXS. Morphological, optical and electrical properties were studied, and they revealed that Cu doping modified the CdS structure, band-gap value and the electrical properties. Cu-doped CdS films show high resistivity compared to the non-doped CdS. The appropriate parameters of Cu-doped CdS films were determined to obtain an adequate window or buffer layer on CIGS and CZTS photovoltaic solar cells.

Beyond 11% efficient sulfide kesterite Cu 2Zn xCd 1–xSnS 4 solar cell: Effects of cadmium alloying

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

Yan, Chang; Sun, Kaiwen; Huang, Jialiang

2017-04-03

Here, kesterite Cu 2ZnSnS 4 (CZTS) thin-film solar cells have drawn worldwide attention because of outstanding performance and earth-abundant constituents. However, problems such as coexistence of complex secondary phases, the band tailing issue, short minority lifetime, bulk defects, and undesirable band alignment at p-n interfaces need to be addressed for further efficiency improvement. In this regard, Cd alloying shows promise for dealing with some of these problems. In this work, a beyond 11% efficient Cd-alloyed CZTS solar cell is achieved, and the effects of Cd-alloying and mechanism underpinning the performance improvement have been investigated. The introduction of Cd can significantlymore » reduce the band tailing issue, which is confirmed by the reduction in the difference between the photoluminescence peak and optical band gap (E g) as well as decreased Urbach energy. The microstructure, minority lifetime, and electrical properties of CZTS absorber are greatly improved by Cd alloying. Further XPS analyses show that the partial Cd alloying slightly reduces the band gap of CZTS via elevating the valence band maximum of CZTS. This suggests that there are opportunities for further efficiency improvement by engineering the absorber and the associated interface with the buffer.« less

The accumulation of regulatory T cells in the hepatic hilar lymph nodes in biliary atresia.

PubMed

Sakamoto, Naoya; Muraji, Toshihiro; Ohtani, Haruo; Masumoto, Kouji

2017-10-01

A proposed etiopathogenesis of biliary atresia (BA) involves T-cell-mediated inflammatory bile duct damage and progressive hepatic fibrosis. Pediatric surgeons often observe swelling of the hepatic hilar lymph nodes during the Kasai procedure. Given the importance of regulatory mechanisms in immune responses, the present study was designed to analyze the quantitative changes of regulatory T cells (T reg cells) in the hepatic hilar lymph nodes (hepatic hilar LNs) and peripheral blood (PB) in BA. The hepatic hilar LNs and PB obtained during the Kasai procedure were analyzed by flow cytometry. The ratios of total and active Tregs to the total CD4 + cells in the PB and the hepatic hilar LNs were compared. In patients with BA, the ratios of both the total and active T reg cells in the hepatic hilar LNs were higher than those in the PB (total T reg cells: PB vs. LN; P < 0.001; active T reg cells: PB vs. LN; P = 0.001). In BA patients, the increase in the ratio of active T reg cells to the CD4 + cells in the LNs in comparison to the PB was greater than that in control patients. The ratio observed in the BA patients was almost double the ratio observed in the control patients. The median LN/PB ratio in the BA patients was 3.1, while that in controls was 1.6 (P = 0.03). The present study showed that the ratios of both total T reg cells and active T reg cells were higher in the hepatic hilar lymph nodes of BA patients. This finding could shed light on the pathogenesis of BA.

Benzyl Alcohol-Mediated Versatile Method to Fabricate Nonstoichiometric Metal Oxide Nanostructures.

PubMed

Qamar, Mohammad; Adam, Alaaldin; Azad, Abdul-Majeed; Kim, Yong-Wah

2017-11-22

Nanostructured metal oxides with cationic or anionic deficiency find applications in a wide range of technological areas including the energy sector and environment. However, a facile route to prepare such materials in bulk with acceptable reproducibility is still lacking; many synthesis techniques are still only bench-top and cannot be easily scaled-up. Here, we report that the benzyl alcohol (BA)-mediated method is capable of producing a host of nanostructured metal oxides (MO x , where M = Ti, Zn, Ce, Sn, In, Ga, or Fe) with inherent nonstoichiometry. It employs multifunctional BA as a solvent, a reducing agent, and a structure-directing agent. Depending on the oxidation states of metal, elemental or nonstoichiometric oxide forms are obtained. Augmented photoelectrochemical oxidation of water under visible light by some of these nonstoichiometric oxides highlights the versatility of the BA-mediated synthesis protocol.

Nuclear Data Sheets for A = 139

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

Joshi, Paresh K.; Singh, Balraj; Singh, Sukhjeet

2016-12-15

The experimental nuclear spectroscopic data for known nuclides of mass number 139 (Sn, Sb, Te, I, Xe, Cs, Ba, La, Ce, Pr, Nd, Pm, Sm, Eu, Gd, Tb, Dy) have been evaluated and presented together with adopted properties for levels and gamma rays. This evaluation represents a revision of previous one (2001Bu16) by T.W. Burrows. Since then extensive new data have become available for many A=139 nuclides although, no excited state data are yet available for {sup 139}Sn, {sup 139}Sb, {sup 139}Tb, and {sup 139}Dy. The decay schemes of {sup 139}Sn, {sup 139}Sb, {sup 139}I, {sup 139}Tb and {sup 139}Dymore » nuclei are not known, and those for {sup 139}Gd and {sup 139}Eu are poorly known. Particle-transfer data are available for {sup 139}Ba, {sup 139}La, {sup 139}Ce and {sup 139}Pr. Limited high-spin data are available for {sup 139}Te, {sup 139}I, {sup 139}Cs, {sup 139}Ba, {sup 139}La and {sup 139}Ce, while such data are extensive for {sup 139}Pr, {sup 139}Nd, {sup 139}Pm, {sup 139}Sm, {sup 139}Eu and {sup 139}Gd. Recent {sup 139}Pm high-spin data from two independent studies using the same reaction and similar beam energy are in conflict and could be improved using state-of-the-art large gamma-detector arrays in contrast to the smaller arrays currently used. Cases for which no new experimental information are available since the last update have undergone checking resulting in some changes in the current work, but for the most part these are taken from the previous evaluations. Thus, the present work has greatly benefited from all prior NDS evaluations (2001Bu16, 1989Bu12, 1981Pe04, 1974Gr46), but at the same time data presented herein supersede those in the earlier evaluations.« less

Primary fragmentation pathways of gas phase [M(uracil-H)(uracil)]+ complexes (M=Zn, Cu, Ni, Co, Fe, Mn, Cd, Pd , Mg, Ca, Sr, Ba, and Pb): loss of uracil versus HNCO.

PubMed

Ali, Osama Y; Randell, Nicholas M; Fridgen, Travis D

2012-04-23

Complexes formed between metal dications, the conjugate base of uracil, and uracil are investigated by sustained off-resonance irradiation collision-induced dissociation (SORI-CID) in a Fourier transform ion cyclotron resonance (FTICR) mass spectrometer. Positive-ion electrospray spectra show that [M(Ura-H)(Ura)](+) (M=Zn, Cu, Ni, Co, Fe, Mn, Cd, Pd, Mg, Ca, Sr, Ba, or Pb) is the most abundant ion even at low concentrations of uracil. SORI-CID experiments show that the main primary decomposition pathway for all [M(Ura-H)(Ura)](+) , except where M=Ca, Sr, Ba, or Pb, is the loss of HNCO. Under the same SORI-CID conditions, when M is Ca, Sr, Ba, or Pb, [M(Ura-H)(Ura)](+) are shown to lose a molecule of uracil. Similar results were observed under infrared multiple-photon dissociation excitation conditions, except that [Ca(Ura-H)(Ura)](+) was found to lose HNCO as the primary fragmentation product. The binding energies between neutral uracil and [M(Ura-H)](+) (M=Zn, Cu, Ni, Fe, Cd, Pd ,Mg, Ca, Sr Ba, or Pb) are calculated by means of electronic-structure calculations. The differences in the uracil binding energies between complexes which lose uracil and those which lose HNCO are consistent with the experimentally observed differences in fragmentation pathways. A size dependence in the binding energies suggests that the interaction between uracil and [M(Ura-H)](+) is ion-dipole complexation and the experimental evidence presented supports this. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Survey on composition and bioconcentration potential of 12 metallic elements in King Bolete (Boletus edulis) mushroom that emerged at 11 spatially distant sites.

PubMed

Falandysz, Jerzy; Frankowska, Aneta; Jarzynska, Grazyna; Dryzałowska, Anna; Kojta, Anna K; Zhang, Dan

2011-01-01

This paper provides data on baseline concentrations, interrelationships and bioconcentration potential of 12 metallic elements by King Bolete collected from 11 spatially distant sites across Poland. There are significant differences in concentrations of metals (Al, Ba, Ca, Cd, Cu, Fe, K, Mg, Mn, Na, Sr, Zn) and their bioconcentration potential in King Bolete Boletus edulis at 11 spatially distant sites surveyed across Poland. These have resulted from significant geographical differences in trace metal concentrations in a layer (0-10 cm) of organic and mineral soil underneath to fruiting bodies and possible local bioavailabilities of macro- (Ca, K, Mg, Na) and trace metals (Al, Ba, Cd, Cu, Fe, Mn, Sr, Zn) to King Bolete. The use of highly appreciated wild-grown edible King Bolete mushroom has established a baseline measure of regional minerals status, heavy metals pollution and assessment of intake rates for wild mushroom dish fanciers against which future changes can be compared. Data on Cd, Cu and Zn from this study and from literature search can be useful to set the maximum limit of these metals in King Bolete collected from uncontaminated (background) areas. In this report also reviewed are data on Al, Ba, Ca, Cd, Cu, Fe, K, Mg, Mn, Na, Sr and Zn accumulation in King Bolete.

Molecular glues for manipulating enzymes: trypsin inhibition by benzamidine-conjugated molecular glues† †Electronic supplementary information (ESI) available: Synthesis of TEG–BA, Gluen–BA, mGluen–BA and Gluen–Ph; 1H NMR, 13C NMR, MALDI-TOF MS, electronic absorption, and CD spectra; zeta potential distributions; SLS plots; DLS histograms; and related experimental procedures. See DOI: 10.1039/c5sc00524h Click here for additional data file.

PubMed Central

Mogaki, Rina

2015-01-01

Water-soluble bioadhesive polymers bearing multiple guanidinium ion (Gu+) pendants at their side-chain termini (Gluen–BA, n = 10 and 29) that were conjugated with benzamidine (BA) as a trypsin inhibitor were developed. The Gluen–BA molecules are supposed to adhere to oxyanionic regions of the trypsin surface, even in buffer, via a multivalent Gu+/oxyanion salt-bridge interaction, such that their BA group properly blocks the substrate-binding site. In fact, Glue10–BA and Glue29–BA exhibited 35- and 200-fold higher affinities for trypsin, respectively, than a BA derivative without the glue moiety (TEG–BA). Most importantly, Glue10–BA inhibited the protease activity of trypsin 13-fold more than TEG–BA. In sharp contrast, mGlue27–BA, which bears 27 Gu+ units along the main chain and has a 5-fold higher affinity than TEG–BA for trypsin, was inferior even to TEG–BA for trypsin inhibition. PMID:28706668

{sup 110,116}Cd({alpha},{alpha}){sup 110,116}Cd elastic scattering and systematic investigation of elastic {alpha} scattering cross sections along the Z=48 isotopic and N=62 isotonic chains

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

Kiss, G. G.; Fueloep, Zs.; Gyuerky, Gy.

2011-06-15

The elastic scattering cross sections for the reactions {sup 110,116}Cd({alpha},{alpha}){sup 110,116}Cd at energies above and below the Coulomb barrier are presented to provide a sensitive test for the {alpha}-nucleus optical potential parameter sets. Additional constraints for the optical potential are taken from the analysis of elastic scattering excitation functions at backward angles which are available in literature. Moreover, the variation of the elastic {alpha} scattering cross sections along the Z=48 isotopic and N=62 isotonic chain is investigated by the study of the ratios of the {sup 106,110,116}Cd({alpha},{alpha}){sup 106,110,116}Cd scattering cross sections at E{sub cm{approx_equal}}15.6and18.8 MeV and the ratio of themore » {sup 110}Cd({alpha},{alpha}){sup 110}Cd and {sup 112}Sn({alpha},{alpha}){sup 112}Sn reaction cross sections at E{sub cm{approx_equal}}18.8 MeV, respectively. These ratios are sensitive probes for the {alpha}-nucleus optical potential parametrizations. The potentials under study are a basic prerequisite for the prediction of {alpha}-induced reaction cross sections (e.g., for the calculation of stellar reaction rates in the astrophysical p or {gamma} process).« less

Comparative sensitivity of juvenile and adult Potamopyrgus antipodarum (Mollusca: Hydrobiidae) under chronic exposure to cadmium and tributyltin.

PubMed

Ruppert, Katharina; Geiß, Cornelia; Ostermann, Sina; Theis, Christina; Oehlmann, Jörg

2016-07-28

To investigate a potential extension of a partial life cycle test protocol to a full life cycle test design, a comparative sensitivity analysis with juvenile and adult Potamopyrgus antipodarum was performed. Neonates and adult snails were exposed to the metal cadmium (Cd) and the endocrine disruptor tributyltin (TBT) at nominal concentrations ranging from 1.56 to 50 μg Cd/L and from 25 to 1,000 ng TBT-Sn/L. The experiments were performed over 28 days at 16°C in a semi-static test design. Mortality was assessed for both life stages. Juvenile snails' specific growth rate and reproduction of adults were investigated as main endpoints. We determined effects on snails' survival, juvenile growth and embryo numbers in the brood pouch of adult snails under exposure to both chemicals. Juvenile control mortality was between 25% and 30% and significantly higher than in the control groups with adult snails. A higher sensitivity of juvenile snails compared to adults was observed for the endpoint mortality. Calculated LC50 in Cd exposed snails was 38.2 μg/L for adults and 15.0 μg/L for juvenile snails. Significant effects on mortality in TBT exposed adult snails occurred at the highest test concentration only with a LC50 of 535 ng Sn/L. Juvenile survival was significantly affected at 50.8 ng Sn/L and higher concentrations. Effect concentrations for the main endpoints reproduction and juvenile growth show comparable sensitivities. For Cd exposed groups, EC50 values were 11.3 μg/L for the endpoint reproduction in adult snails and 3.82 μg/L for juvenile growth with overlapping confidence intervals. TBT also significantly affected juvenile snails' growth (EC50: 178 ng Sn /L). EC50 for embryo numbers was 125 ng TBT-Sn/L. Results indicate the manageability of a FLC test starting with newly hatched snails. Precautions have to be taken to guarantee a sufficient number of surviving snails until adulthood so that reproduction can be assessed. For final decision for the practicability of a FLC, further tests are needed.

Effects of cadmium on life-cycle parameters in a multi-generation study with Chironomus riparius following a pre-exposure of populations to two different tributyltin concentrations for several generations.

PubMed

Vogt, Christian; Hess, Maren; Nowak, Carsten; Diogo, João Barateiro; Oehlmann, Jörg; Oetken, Matthias

2010-10-01

So far only a few studies have been performed to assess the effects of dynamic pollutant exposure on life-history parameters of invertebrates. In a previous multi-generation approach with the midge Chironomus riparius we tested if a chronic tributyltin pre-exposure alters the ability of a population to cope with subsequent cadmium stress. In the experiment two separate chironomid populations were exposed via sediments to different TBT-concentrations (4.46 and 8.93 μg Sn/kg dw) for several generations, followed by subsequent cadmium exposure (1.2 mg Cd/kg dw) for three generations. While the TBT-exposure to 4.46 μg Sn/kg dw had only small effects on the development and reproduction of C. riparius the higher TBT-concentration of 8.93 μg Sn/kg dw led to negative effects on life-history traits. Therefore, a higher adverse effect of the higher TBT-concentration and thus a higher susceptibility to other stressors could be assumed. Within, this paper only the results of the second stressor experiment were presented; clear effects of Cd on development and reproduction of C. riparius were determined independent of the pre-exposure scenario. While no differences in Cd-sensitivity were found between the population without pre-exposure to TBT and the population pre-exposed to the low TBT-concentration (4.46 μg Sn/kg dw), the pre-exposure of midges to the higher TBT-concentration (8.93 μg Sn/kg dw) resulted in a significantly higher susceptibility to subsequent Cd-stress. These results document that the exposure history may influence the reaction to altered chemical stress. Our findings are relevant to understand and predict the evolutionary fate of populations in rapidly changing, human-impacted environments. However, the fact that chemical-induced reduced genetic diversity, which is not necessarily linked to genetic adaptation, leads to a reduced fitness under altered stress conditions, is to our knowledge a novel finding.

Ability of the marine bacterium Pseudomonas fluorescens BA3SM1 to counteract the toxicity of CdSe nanoparticles.

PubMed

Poirier, Isabelle; Kuhn, Lauriane; Demortière, Arnaud; Mirvaux, Boris; Hammann, Philippe; Chicher, Johana; Caplat, Christelle; Pallud, Marie; Bertrand, Martine

2016-10-04

In the marine environment, bacteria from estuarine and coastal sediments are among the first targets of nanoparticle pollution; it is therefore relevant to improve the knowledge of interactions between bacteria and nanoparticles. In this work, the response of the marine bacterium Pseudomonas fluorescens BA3SM1 to CdSe nanocrystals (CdSe NPs) of 3nm (NP3) and 8nm (NP8) in diameter was evaluated through microscopic, physiological, biochemical and proteomic approaches. Transmission electron microscopy images showed that NP3 were able to penetrate the bacteria, while NP8 were highly concentrated around the cells, embedded in large exopolysaccharides. In our experimental conditions, both CdSe NP sizes induced a decrease in respiration during the stationary growth phase, while only NP8 caused growth retardation and a decrease in pyoverdine production. Proteomic analyses highlighted that the strain responded to CdSe NP toxicity by inducing various defence mechanisms such as cell aggregation, extracellular CdSe NP sequestration, effective protection against oxidative stress, modifications of envelope organization and properties, and cadmium export. In addition, BA3SM1 presented a biosorption capacity of 1.6×10(16)NP3/g dry weight and 1.7×10(15)NP8/g dry weight. This strain therefore appears as a promising agent for NP bioremediation processes. Proteomic data are available via ProteomeXchange with identifier PXD004012. To the best of our knowledge, this is the first report focussing on the effects of CdSe colloidal nanocrystals (CdSe NPs) on a marine strain of Pseudomonas fluorescens. CdSe NPs are extensively used in the industry of renewable energies and it is regrettably expected that these pollutants will sometime soon appear in the marine environment through surface runoff, urban effluents and rivers. Bacteria living in estuarine and coastal sediments will be among the first targets of these new pollutants. The pseudomonads are frequently found in these ecosystems. They are involved in several biogeochemical cycles and are known for their high resistance to pollutants. Consequently, this study focussing on the effects of CdSe NPs on the marine strain P. fluorescens BA3SM1 is highly relevant for several reasons. First, it aims at improving knowledge about the interactions between bacteria and NPs. This is fundamental to effectively use NPs against pathogenic bacteria. Secondly, in spite of CdSe NP interactions with the bacterial cells, the strain BA3SM1 can develop various strategies to counteract CdSe NP toxicity and ensure its growth. It exhibits interesting properties to sequester CdSe NPs and it retains its ability to form biofilm. The strain therefore appears as a promising agent for NP bioremediation thanks to biofiltration processes. Finally, this study shows that CdSe NPs of 8nm in diameter cause a decrease in the secretion of siderophore pyoverdine, a secondary metabolite playing a key role in microbial ecology since it drives bacterial survival and competitiveness in ecosystems. Bacteria producing effective siderophores survive better in a Fe-deficient environment where they antagonize the growth of other microbes thought iron deprivation. Furthermore, siderophores are also employed as virulence factors in human pathogenic strains such as P. aeruginosa. Consequently, this study highlights that NPs can impact the secondary metabolism of bacteria with environmental and medical implications. In addition, in this work, Data-Dependant Acquisition (DDA) provided state of the art Mass Spectrometry data by Spectral Counting and MS1 Label-Free. The combination of these two well-known proteomic techniques including manual validations strengthened the identification and quantification of regulated proteins. Moreover, numerous correlations between proteomic analyses and other observations (physiological, biochemical, microscopic) consolidated our interpretations. Copyright © 2016 Elsevier B.V. All rights reserved.

Central Tibetan Plateau atmospheric trace metals contamination: A 500-year record from the Puruogangri ice core.

PubMed

Beaudon, Emilie; Gabrielli, Paolo; Sierra-Hernández, M Roxana; Wegner, Anna; Thompson, Lonnie G

2017-12-01

A ~500-year section of ice core (1497-1992) from the Puruogangri ice cap has been analyzed at high resolution for 28 trace elements (TEs: Ag, Al, As, Ba, Bi, Cd, Co, Cr, Cs, Cu, Fe, Ga, Li, Mg, Mn, Na, Nb, Ni, Pb, Rb, Sb, Sn, Sr, Ti, Tl, U, V and Zn) to assess different atmospheric contributions to the ice and provide a temporal perspective on the diverse atmospheric influences over the central Tibetan Plateau (TP). At least two volcanic depositions have significantly impacted the central TP over the past 500years, possibly originating from the Billy Mitchell (1580, Papua New Guinea) and the Parker Peak (1641, Philippines) eruptions. A decreasing aeolian dust input to the ice cap allowed the detection of an atmospheric pollution signal. The anthropogenic pollution contribution emerges in the record since the early 1900s (for Sb and Cd) and increases substantially after 1935 (for Ag, Zn, Pb, Cd and Sb). The metallurgy (Zn, Pb and steel smelting) emission products (Cd, Zn, Pb and Ag) from the former Soviet Union and especially from central Asia (e.g., Kyrgyzstan, Kazakhstan) likely enhanced the anthropogenic deposition to the Puruogangri ice cap between 1935 and 1980, suggesting that the westerlies served as a conveyor of atmospheric pollution to central Tibet. The impact of this industrial pollution cumulated with that of the hemispheric coal and gasoline combustion which are respectively traced by Sb and Pb enrichment in the ice. The Chinese steel production accompanying the Great Leap Forward (1958-1961) and the Chinese Cultural Revolution (1966-1976) is proposed as a secondary but proximal source of Pb pollution affecting the ice cap between 1958 and 1976. The most recent decade (1980-1992) of the enrichment time series suggests that Puruogangri ice cap recorded the early Sb, Cd, Zn, Pb and Ag pollution originating from developing countries of South (i.e., India) and East (i.e., China) Asia and transported by the summer monsoonal circulation. Published by Elsevier B.V.

Cd-free buffer layer materials on Cu2ZnSn(SxSe1-x)4: Band alignments with ZnO, ZnS, and In2S3

NASA Astrophysics Data System (ADS)

Barkhouse, D. Aaron R.; Haight, Richard; Sakai, Noriyuki; Hiroi, Homare; Sugimoto, Hiroki; Mitzi, David B.

2012-05-01

The heterojunctions formed between Cu2ZnSn(SxSe1-x)4 (CZTSSe) and three Cd-free n-type buffers, ZnS, ZnO, and In2S3, were studied using femtosecond ultraviolet photoemission and photovoltage spectroscopy. The electronic properties including the Fermi level location at the interface, band bending in the CZTSSe substrate, and valence and conduction band offsets were determined and correlated with device properties. We also describe a method for determining the band bending in the buffer layer and demonstrate this for the In2S3/CZTSSe system. The chemical bath deposited In2S3 buffer is found to have near optimal conduction band offset (0.15 eV), enabling the demonstration of Cd-free In2S3/CZTSSe solar cells with 7.6% power conversion efficiency.

New dielectric ceramics Pb(Cd)BiM/sup IV/SbO/sub 7/ (M/sup IV/ = Ti, Zr, Sn) with the pyrochlore structure

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

Lambachri, A.; Monier, M.; Mercurio, J.P.

1988-04-01

Dielectric ceramics have been obtained by natural sintering of pyrochlore phases with general formula Pb(Cd)BiM/sup IV/SbO/sub 7/ (M/sup IV/ = Ti, Zr, Sn). Low frequency dielectric characteristics have been studied with respect to the processing conditions: sintering without additive and in the presence of some low melting compounds (PbO, Pb/sub 5/Ge/sub 3/O/sub 11/, Bi/sub 12/PbO/sub 19/ and Bi/sub 12/CdO/sub 19/). The dielectric constants of these ceramics lie between 30 and 60, the dielectric losses range from 10 to 30.10/sup -4/ and the temperature coefficient of the dielectric constants (20 - 100/sup 0/C) can be tailored by means of additives inmore » the +- 30 ppm K/sup -1/ range.« less

Effect of tin oxide nanoparticle binding on the structure and activity of α-amylase from Bacillus amyloliquefaciens

NASA Astrophysics Data System (ADS)

Jahir Khan, Mohammad; Qayyum, Shariq; Alam, Fahad; Husain, Qayyum

2011-11-01

Proteins adsorbed on nanoparticles (NPs) are being used in biotechnology, biosensors and drug delivery. However, understanding the effect of NPs on the structure of proteins is still in a nascent state. In the present paper tin oxide (SnO2) NPs were synthesized by the reaction of SnCl4·5H2O in methanol via the sol-gel method and characterized by x-ray diffraction (XRD), Fourier transform infrared spectroscopy (FT-IR) and transmission electron microscopy (TEM). The binding of these SnO2-NPs with α-amylase was investigated by using UV-vis, fluorescence and circular dichroism (CD) spectroscopic techniques. A strong quenching of tryptophan fluorescence intensity in α-amylase was observed due to formation of a ground state complex with SnO2-NPs. Far-UV CD spectra showed that the secondary structure of α-amylase was changed in the presence of NPs. The Michaelis-Menten constant (Km), was found to be 26.96 and 28.45 mg ml - 1, while Vmax was 4.173 and 3.116 mg ml - 1 min - 1 for free and NP-bound enzyme, respectively.

Synthesis of SnS nanoparticles by SILAR method for quantum dot-sensitized solar cells.

PubMed

Tsukigase, Hiroki; Suzuki, Yoshikazu; Berger, Marie-Hélène; Sagawa, Takashi; Yoshikawa, Susumu

2011-03-01

SnS-sensitized TiO2 electrodes were applied in quantum dot-sensitized solar cells (QDSSCs) which are environmentally more favorable than conventional Cd or Pb-chalcogenide-sensitized electrodes. SnS nanoparticles were well-distributed over the surface of TiO2 nanoparticles by the successive ionic layer adsorption and reaction (SILAR) method. Deposited SnS nanoparticles had diameter about 3 nm. Under AM1.5 irradiation with 100 mW/cm2 light intensity (at 1 sun), the energy conversion efficiency of obtained cells reached a value of 0.21% (0.25 cm2) at SILAR coating cycles of 5. In addition, the photovoltaic performance was improved by additional ZnS coating on the surface of SnS-sensitized TiO2 electrodes.

Effect of various SnO2 pH on ZnO/SnO2-composite film via immersion technique

NASA Astrophysics Data System (ADS)

Malek, M. F.; Mohamed, R.; Mamat, M. H.; Ismail, A. S.; Yusoff, M. M.; Rusop, M.

2018-05-01

ZnO/SnO2-composite film has been synthesized via immersion technique with various pH of SnO2. The pH of SnO2 were varied between 4.5 and 6.5. The optical measurements of the samples were carried out using Varian Cary 5000 UV-Vis spectrophotometer within the range from 350 nm to 800 nm at room temperature in air with a data interval of 1 nm. On the other hand, the optical photoluminescence properties were measured by a photoluminescence spectrometer (PL, model: Horiba Jobin Yvon - 79 DU420A-OE-325) using a He-Cd laser as the excitation source at 325 nm. These highly oriented ZnO/SnO2-composite film are potential for the creation of functional materials, such as the sensors, solar cells and etc.

The Cu2ZnSnSe4 thin films solar cells synthesized by electrodeposition route

NASA Astrophysics Data System (ADS)

Li, Ji; Ma, Tuteng; Wei, Ming; Liu, Weifeng; Jiang, Guoshun; Zhu, Changfei

2012-06-01

An electrodeposition route for preparing Cu2ZnSnSe4 thin films for thin film solar cell absorber layers is demonstrated. The Cu2ZnSnSe4 thin films are prepared by co-electrodeposition Cu-Zn-Sn metallic precursor and subsequently annealing in element selenium atmosphere. The structure, composition and optical properties of the films were investigated by X-ray diffraction (XRD), Raman spectrometry, energy dispersive spectrometry (EDS) and UV-VIS absorption spectroscopy. The Cu2ZnSnSe4 thin film with high crystalline quality was obtained, the band gap and absorption coefficient were 1.0 eV and 10-4 cm-1, which is quite suitable for solar cells fabrication. A solar cell with the structure of ZnO:Al/i-ZnO/CdS/Cu2ZnSnSe4/Mo/glass was fabricated and achieved an conversion efficiency of 1.7%.

Stellar Laboratories: 3. New Ba 5, Ba 6, and Ba 7 Oscillator Strengths and the Barium Abundance in the Hot White Dwarfs G191-B2B and RE 0503-289

NASA Technical Reports Server (NTRS)

Rauch, T.; Werner, K.; Quinet, P.; Kruk, Jeffrey Walter

2014-01-01

Context. For the spectral analysis of high-resolution and high-signal-to-noise (S/N) spectra of hot stars, state-of-the-art non-local thermodynamic equilibrium (NLTE) model atmospheres are mandatory. These are strongly dependent on the reliability of the atomic data that is used for their calculation. Aims. Reliable Ba 5-7 oscillator strengths are used to identify Ba lines in the spectra of the DA-type white dwarf G191-B2B and the DO-type white dwarf RE 0503-289 and to determine their photospheric Ba abundances. Methods. We newly calculated Ba v-vii oscillator strengths to consider their radiative and collisional bound-bound transitions in detail in our NLTE stellar-atmosphere models for the analysis of Ba lines exhibited in high-resolution and high-S/N UV observations of G191-B2B and RE 0503-289. Results. For the first time, we identified highly ionized Ba in the spectra of hot white dwarfs. We detected Ba vi and Ba vii lines in the Far Ultraviolet Spectroscopic Explorer (FUSE) spectrum of RE 0503-289. The Ba vi/Ba vii ionization equilibrium is well reproduced with the previously determined effective temperature of 70 000 K and surface gravity of log g=7.5. The Ba abundance is 3.5 +/- 0.5 × 10(exp-4) (mass fraction, about 23 000 times the solar value). In the FUSE spectrum of G191-B2B, we identified the strongest Ba vii line (at 993.41 Å) only, and determined a Ba abundance of 4.0 +/- 0.5 × 10(exp-6) (about 265 times solar). Conclusions. Reliable measurements and calculations of atomic data are a pre-requisite for stellar-atmosphere modeling. Observed Ba vi-vii line profiles in two white dwarfs' (G191-B2B and RE 0503-289) far-ultraviolet spectra were well reproduced with our newly calculated oscillator strengths. This allowed to determine the photospheric Ba abundance of these two stars precisely.

Syntheses, structural variants and characterization of AInM′S{sub 4} (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS{sub 4} and KInSnS{sub 4} compounds

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

Yohannan, Jinu P.; Vidyasagar, Kanamaluru, E-mail: kvsagar@iitm.ac.in

Ten AInM′S{sub 4} (A=alkali metals, Tl; M′= Ge, Sn) compounds with diverse structure types have been synthesized and characterized by single crystal and powder X-ray diffraction and a variety of spectroscopic methods. They are wide band gap semiconductors. KInGeS{sub 4}(1-β), RbInGeS{sub 4}(2), CsInGeS{sub 4}(3-β), TlInGeS{sub 4}(4-β), RbInSnS{sub 4}(8-β) and CsInSnS{sub 4}(9) compounds with three-dimensional BaGa{sub 2}S{sub 4} structure and CsInGeS{sub 4}(3-α) and TlInGeS{sub 4}(4-α) compounds with a layered TlInSiS{sub 4} structure have tetrahedral [InM′S{sub 4}]{sup −} frameworks. On the other hand, LiInSnS{sub 4}(5) with spinel structure and NaInSnS{sub 4}(6), KInSnS{sub 4}(7), RbInSnS{sub 4}(8-α) and TlInSnS{sub 4}(10) compounds with layered structuremore » have octahedral [InM′S{sub 4}]{sup −} frameworks. NaInSnS{sub 4}(6) and KInSnS{sub 4}(7) compounds undergo facile topotactic ion-exchange, at room temperature, with various mono-, di- and tri-valent cations in aqueous medium to give rise to metastable layered phases. - Graphical abstract: NaInSnS{sub 4} and KInSnS{sub 4} compounds undergo, in aqueous medium at room temperature, facile topotactic ion-exchange with mono, di and trivalent cations. Display Omitted - Highlights: • Ten AInM′S{sub 4} compounds with diverse structure types were synthesized. • They are wide band gap semiconductors. • NaInSnS{sub 4} and KInSnS{sub 4} compounds undergo facile topotactic ion-exchange at room temperature.« less

Synthesis and characterization of novel electronic materials with volatile species

NASA Astrophysics Data System (ADS)

Zhizhong, Tang

In this thesis, two novel electronic materials, including semiconductor ZnGeAs2 and dielectric Ba(Zn1/3Ta 2/3)O3 were studied. The growth, characterization and application of ZnGeAs2 in photovoltaics were explored. The structure, optic and electric properties of expitaxial Ba(Zn1/3Ta2/3)O 3 films were also reported. ZnGeAs2 films were grown by pulsed laser deposition from the home-made target. The composition study showed that the Ge element incorporation rate remained constant, while the Zn and As incorporation rates decrease monotonically at elevated growth temperatures. Prototype of photovoltaic cell made with heterojunction p-ZnGeAs2/n-CdS/n+-SnO2 diode showed 0.14 Volt open circuit voltage under ˜100 mW/cm2 lab lamp illumination (1 sun) and 0.45 Volt Voc under 100 mW/cm 2 green LED illumination. Thermal decomposition studied of bulk ZnGeAs2 showed that the Zn and As dissociation rate from ZnGeAs2 approaches one monolayer per second at around 425 °C with activation energy of 1.08 eV. Thermodynamic and kinetic analysis showed that synthesis of ZnGeAs2 thin film is a metastable process involving a competition between the forward reaction which depends on the arrival of reactants at the growth surface, and the reverse kinetically-limited decomposition reaction. Ba(Zn1/3Ta2/3)O3 (100) dielectric thin films grown on MgO (100) substrates by pulsed laser deposition. The thin film structure, optic and electric properties were systematically characterized. Advanced electronic structure calculations were used to guide the interpretation of the experimental data. The Ba(Zn1/3Ta2/3)O3 films have an indirect optical band gap of ˜3.0 eV and a refractive index of 1.91 in the visible spectral range, with dielectric constant of 25 and dissipation factor of 0.0025 at 100 kHz. The Ba(Zn1/3Ta 2/3)O3 films exhibit a small thermally-activated Ohmic leakage current at high fields (<250 KV/cm) and high temperatures (<200 °C) with an activation energy of 0.85 eV. Ba(Zn1/3Ta2/3)O3 dielectric ceramics powder was used to synthesize Metallo-Dielectric Electromagnetic Band Gap structures by ceramic injection molding. Capacitive series and shunt defects were introduced in Metallo-Dielectric Electromagnetic Band Gap structures to generate sub-wavelength resonances. The frequency responses of both defect-free and defect-laden EBG structures were characterized at microwave frequencies and were found to agree with the results of electromagnetic simulations using the commercial HFSS modeling package.

Mode-specific multi-channel dynamics of the F- + CHD2Cl reaction on a global ab initio potential energy surface

NASA Astrophysics Data System (ADS)

Szabó, István; Czakó, Gábor

2016-10-01

We report a detailed quasiclassical trajectory study for the dynamics of the ground-state and CH/CD stretching-excited F- + CHD2Cl(vCH/CD = 0, 1) → Cl- + CHD2F, HF + CD2Cl-, and DF + CHDCl- SN2, proton-, and deuteron-abstraction reactions using a full-dimensional global ab initio analytical potential energy surface. The simulations show that (a) CHD2Cl(vCH/CD = 1), especially for vCH = 1, maintains its mode-specific excited character prior to interaction, (b) the SN2 reaction is vibrationally mode-specific, (c) double inversion can occur and is enhanced upon CH/CD stretching excitations, (d) in the abstraction reactions the HF channel is preferred and the vCH/CD = 1 excitations significantly promote the HF/DF channels, (e) back-side rebound, back-side stripping, and front-side stripping are the dominant direct abstraction mechanisms based on correlated scattering- and attack-angle distributions, (f) the exact classical vibrational energy-based Gaussian binning (1GB) provides realistic mode-specific polyatomic product state distributions, (g) in the abstraction reactions CH and CD stretchings are not pure spectator modes and mainly ground-state products are produced, thus most of the initial energy transfers into product translation, and (h) the HF and DF product molecules are rotationally cold without any significant dependence on the reactant's and HF/DF vibrational states.

Chemically Deposited CdS Buffer/Kesterite Cu2ZnSnS4 Solar Cells: Relationship between CdS Thickness and Device Performance.

PubMed

Hong, Chang Woo; Shin, Seung Wook; Suryawanshi, Mahesh P; Gang, Myeng Gil; Heo, Jaeyeong; Kim, Jin Hyeok

2017-10-25

Earth-abundant, copper-zinc-tin-sulfide (CZTS), kesterite, is an attractive absorber material for thin-film solar cells (TFSCs). However, the open-circuit voltage deficit (V oc -deficit) resulting from a high recombination rate at the buffer/absorber interface is one of the major challenges that must be overcome to improve the performance of kesterite-based TFSCs. In this paper, we demonstrate the relationship between device parameters and performances for chemically deposited CdS buffer/CZTS-based heterojunction TFSCs as a function of buffer layer thickness, which could change the CdS/CZTS interface conditions such as conduction band or valence band offsets, to gain deeper insight and understanding about the V oc -deficit behavior from a high recombination rate at the CdS buffer/kesterite interface. Experimental results show that device parameters and performances are strongly dependent on the CdS buffer thickness. We postulate two meaningful consequences: (i) Device parameters were improved up to a CdS buffer thickness of 70 nm, whereas they deteriorated at a thicker CdS buffer layer. The V oc -deficit in the solar cells improved up to a CdS buffer thickness of 92 nm and then deteriorated at a thicker CdS buffer layer. (ii) The minimum values of the device parameters were obtained at 70 nm CdS thickness in the CZTS TFSCs. Finally, the highest conversion efficiency of 8.77% (V oc : 494 mV, J sc : 34.54 mA/cm 2 , and FF: 51%) is obtained by applying a 70 nm thick CdS buffer to the Cu 2 ZnSn(S,Se) 4 absorber layer.

Purification and characterization of two novel peroxidases from the dye-decolorizing fungus Bjerkandera adusta strain CX-9.

PubMed

Bouacem, Khelifa; Rekik, Hatem; Jaouadi, Nadia Zaraî; Zenati, Bilal; Kourdali, Sidali; El Hattab, Mohamed; Badis, Abdelmalek; Annane, Rachid; Bejar, Samir; Hacene, Hocine; Bouanane-Darenfed, Amel; Jaouadi, Bassem

2018-01-01

Two extracellular peroxidases from Bjerkandera adusta strain CX-9, namely a lignin peroxidase (called LiP BA45) and manganese peroxidase (called MnP BA30), were purified simultaneously by applying successively, ammonium sulfate precipitation-dialysis, Mono-S Sepharose anion-exchange and Sephacryl S-200 gel filtration and biochemically characterized. The sequence of their NH 2 -terminal amino acid residues showed high homology with those of fungi peroxidases. Matrix assisted laser desorption ionization-time of flight mass spectrometry (MALDI-TOF/MS) analysis revealed that the purified enzymes MnP BA30 and LiP BA45 were a monomers with a molecular masses 30125.16 and 45221.10Da, respectively. While MnP BA30 was optimally active at pH 3 and 70°C, LiP BA45 showed optimum activity at pH 4 and 50°C. The two enzymes were inhibited by sodium azide and potassium cyanide, suggesting the presence of heme-components in their tertiary structures. The K m and V max for LiP BA45 toward 2,4-Dichlorolphenol (2,4-DCP) were 0.099mM and 9.12U/mg, respectively and for MnP BA30 toward 2,6-Dimethylphenol (2,6-DMP), they were 0.151mM and 18.60U/mg, respectively. Interestingly, MnP BA30 and LiP BA45 demonstrated higher catalytic efficiency than that of other tested peroxidases (MnP, LiP, HaP4, and LiP-SN) and marked organic solvent-stability and dye-decolorization efficiency. Data suggest that these peroxidases may be considered as potential candidates for future applications in distaining synthetic-dyes. Copyright © 2017 Elsevier B.V. All rights reserved.

Molecular recognition at methyl methacrylate/n-butyl acrylate (MMA/nBA) monomer unit boundaries of phospholipids at p-MMA/nBA copolymer surfaces.

PubMed

Yu, Min; Urban, Marek W; Sheng, Yinghong; Leszczynski, Jerzy

2008-09-16

Lipid structural features and their interactions with proteins provide a useful vehicle for further advances in membrane proteins research. To mimic one of potential lipid-protein interactions we synthesized poly(methyl methacrylate/ n-butyl acrylate) (p-MMA/nBA) colloidal particles that were stabilized by phospholipid (PLs). Upon the particle coalescence, PL stratification resulted in the formation of surface localized ionic clusters (SLICs). These entities are capable of recognizing MMA/nBA monomer interfaces along the p-MMA/nBA copolymer backbone and form crystalline SLICs at the monomer interface. By utilizing attenuated total reflectance Fourier transform infrared (ATR FT-IR) spectroscopy and selected area electron diffraction (SAD) combined with ab initio calculations, studies were conducted that identified the origin of SLICs as well as their structural features formed on the surface of p-MMA/nBA copolymer films stabilized by 1,2-dilauroyl-sn-glycero-3-phosphocholine (DLPC) PL. Specific entities responsible for SLIC formation are selective noncovalent bonds of anionic phosphate and cationic quaternary ammonium segments of DLPC that interact with two neighboring carbonyl groups of nBA and MMA monomers of the p-MMA/nBA polymer backbone. To the best of our knowledge this is the first example of molecular recognition facilitated by coalescence of copolymer colloidal particles and the ability of PLs to form SLICs at the boundaries of the neighboring MMA and nBA monomer units of the p-MMA/nBA chain. The dominating noncovalent bonds responsible for the molecular recognition is a combination of H-bonding and electrostatic interactions.

CdS-Free p-Type Cu2ZnSnSe4/Sputtered n-Type In x Ga1- x N Thin Film Solar Cells

NASA Astrophysics Data System (ADS)

Chen, Wei-Liang; Kuo, Dong-Hau; Tuan, Thi Tran Anh

2017-03-01

Cu2ZnSnSe4 (CZTSe) films for solar cell devices were fabricated by sputtering with a Cu-Zn-Sn metal target, followed by two-step post-selenization at 500-600°C for 1 h in the presence of single or double compensation discs to supply Se vapor. After that, two kinds of n-type III-nitride bilayers were prepared by radio frequency sputtering for CdS-free CZTSe thin film solar cell devices: In0.15Ga0.85N/GaN/CZTSe and In0.15Ga0.85N/In0.3Ga0.7N/CZTSe. The p-type CZTSe and the n-type In x Ga1- x N films were characterized. The properties of CZTSe changed with the selenization temperature and the In x Ga1- x N with its indium content. With the CdS-free modeling for a solar cell structure, the In0.15Ga0.85N/In0.3Ga0.7N/CZTSe solar cell device had an improved efficiency of 4.2%, as compared with 1.1% for the conventional design with the n-type conventional ZnO/CdS bilayer. Current density of ˜48 mA/cm2, the maximum open-circuit voltage of 0.34 V, and fill factor of 27.1% are reported. The 3.8-fold increase in conversion efficiency for the CZTSe thin film solar cell devices by replacing n-type ZnO/CdS with the III-nitride bilayer proves that sputtered III-nitride films have their merits.

Development of kit formulations for (99m) TcN-MPO: a cationic radiotracer for myocardial perfusion imaging.

PubMed

Zheng, Yumin; Ji, Shundong; Tomaselli, Elena; Liu, Shuang

2014-07-01

The objective of this study was to develop a kit formulation for [(99m) TcN(mpo)(PNP5)](+) (MPO = 2-mercaptopyridine oxide), ((99m) TcN-MPO) to support its clinical evaluations as a SPECT radiotracer. Radiolabeling studies were performed using three different formulations (two-vial formulation and single-vial formulations with/without SnCl2 ) to explore the factors influencing radiochemical purity (RCP) of (99m) TcN-MPO. We found that the most important factor affecting the RCP of (99m) TcN-MPO was the purity of PNP5. (99m) TcN-MPO was prepared >98% RCP (n = 20) using the two-vial formulation. For single-vial formulations with/without SnCl2 , β-cyclodextrin (β-CD) is particularly useful as a stabilizer for PNP5. The RCP of (99m) TcN-MPO was 95-98% using β-CD, but its RCP was only 90-93% with γ-cyclodextrin (γ-CD). It seems that PNP5 fits better into the inner cavity of β-CD, which forms more stable inclusion complex than γ-CD in the single-vial formulations. The results from biodistribution and imaging studies in Sprague-Dawley rats clearly demonstrated biological equivalence of three different formulations. Single photon-emission computed tomography data suggested that high quality images could be obtained at 0-30-min post-injection without significant interference from the liver radioactivity. Considering the ease for (99m) Tc-labeling and high RCP of (99m) TcN-MPO, the non-SnCl2 single-vial formulation is an attractive choice for future clinical studies. Copyright © 2014 John Wiley & Sons, Ltd.

[Determination of 27 elements in Maca nationality's medicine by microwave digestion ICP-MS].

PubMed

Yu, Gui-fang; Zhong, Hai-jie; Hu, Jun-hua; Wang, Jing; Huang, Wen-zhe; Wang, Zhen-zhong; Xiao, Wei

2015-12-01

An analysis method has been established to test 27 elements (Li, Be, B, Mg, Al, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, As, Sr, Mo, Cd, Sn, Sb, Ba, La, Hg, Pb, Bi) in Maca nationality's medicine with microwave digestion-ICP-MS. Sample solutions were analyzed by ICP-MS after microwave digestion, and the contents of elements were calculated according to their calibration curves, and internal standard method was adopted to reduce matrix effect and other interference effects. The experimental results showed that the linear relations of all the elements were very good; the correlation coefficient (r) was 0.9994-1.0000 (Hg was 0.9982) ; the limits of detection were 0.003-2.662 microg x L(-1); the relative standard deviations for all elements of reproducibility were lower than 5% (except the individual elements); the recovery rate were 78.5%-123.7% with RSD lower than 5% ( except the individual elements). The analytical results of standard material showed acceptable agreement with the certified values. This method was applicable to determinate the contents of multi-elements in Maca which had a high sensitivity, good specificity and good repeatability, and provide basis for the quality control of Maca.

Elemental ratios and enrichment factors in aerosols from the US-GEOTRACES North Atlantic transects

NASA Astrophysics Data System (ADS)

Shelley, Rachel U.; Morton, Peter L.; Landing, William M.

2015-06-01

The North Atlantic receives the highest aerosol (dust) input of all the oceanic basins. Dust deposition provides essential bioactive elements, as well as pollution-derived elements, to the surface ocean. The arid regions of North Africa are the predominant source of dust to the North Atlantic Ocean. In this study, we describe the elemental composition (Li, Na, Mg, Al, P, Sc, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, As, Se, Rb, Sr, Cd, Sn, Sb, Cs, Ba, La, Ce, Nd, Pb, Th, U) of the bulk aerosol from samples collected during the US-GEOTRACES North Atlantic Zonal Transect (2010/11) in order to highlight the differences between a Saharan dust end-member and the reported elemental composition of the upper continental crust (UCC), and the implications this has for identifying trace element enrichment in aerosols across the North Atlantic basin. As aerosol titanium (Ti) is less soluble than aerosol aluminum (Al), it is a more conservative tracer for lithogenic aerosols and trace element-to-Ti ratios. However, the presence of Ti-rich fine aerosols can confound the interpretation of elemental enrichments, making Al a more robust tracer of aerosol lithogenic material in this region.

Using trace element content and lead isotopic composition to assess sources of PM in Tijuana, Mexico

NASA Astrophysics Data System (ADS)

Salcedo, D.; Castro, T.; Bernal, J. P.; Almanza-Veloz, V.; Zavala, M.; González-Castillo, E.; Saavedra, M. I.; Perez-Arvízu, O.; Díaz-Trujillo, G. C.; Molina, L. T.

2016-05-01

PM2.5 samples were collected at two urban sites (Parque Morelos (PQM) and CECyTE (CEC)) in Tijuana during the Cal-Mex campaign from May 24 to June 5, 2010. Concentration of trace elements (Mg, Al, Ti, V, Mn, Fe, Co, Ni, Zn, Cu, Ga, As, Se, Rb, Sr, Mo, Cd, Sn, Sb, Ba, La, Ce, and Pb), and Pb isotopic composition were determined in order to study the sources of PM impacting each site. Other chemical analysis (gravimetric, elemental and organic carbon (EC/OC), and polycyclic aromatic hydrocarbons (PAHs)), were also performed. Finally, back-trajectories were calculated to facilitate the interpretation of the chemical data. Trace elements results show that CEC is a receptor site affected by mixed regional sources: sea salt, mineral, urban, and industrial. On the other hand, PQM seems to be impacted mainly by local sources. In particular, Pb at CEC is of anthropogenic, as well as crustal origin. This conclusion is supported by the lead isotopic composition, whose values are consistent with a combination of lead extracted from US mines, and lead from bedrocks in the Mexican Sierras. Some of the time variability observed can be explained using the back-trajectories.

Method of coating the interior surface of hollow objects with a diffusion coating

DOEpatents

Knowles, Shawn D.; Senor, David J.; Forbes, Steven V.; Johnson, Roger N.; Hollenberg, Glenn W.

2005-03-15

A method for forming a diffusion coating on the interior of surface of a hollow object wherein a filament, extending through a hollow object and adjacent to the interior surface of the object, is provided, with a coating material, in a vacuum. An electrical current is then applied to the filament to resistively heat the filament to a temperature sufficient to transfer the coating material from the filament to the interior surface of the object. The filament is electrically isolated from the object while the filament is being resistively heated. Preferably, the filament is provided as a tungsten filament or molybdenum filament. Preferably, the coating materials are selected from the group consisting of Ag, Al, As, Au, Ba, Be, Bi, Ca, Cd, Co, Cr, Cu, Dy, Er, Eu, Fe, Ga, Ge, Hg, In, K, Li, Mg, Mn, Na, Ni P, Pb, Pd, Pr, S, Sb, Sc, Se, Si, Sn, Sr, Te, Tl, Y, Yb, Zn, and combinations thereof. The invention additionally allows for the formation of nitrides, hydrides, or carbides of all the possible coating materials, where such compounds exist, by providing a partial pressure of nitrogen, hydrogen, hydrocarbons, or combination thereof, within the vacuum.

Correlations of charge neutrality level with electronic structure and p-d hybridization

PubMed Central

Das, Arkaprava; Gautam, Subodh K.; Shukla, D. K.; Singh, Fouran

2017-01-01

The formation of charge neutrality level (CNL) in highly conducting Cadmium oxide (CdO) thin films is demonstarted by the observed variation in the band gap upon annealing and doping. It may be explained by the observation that Tin (Sn) doping breaks the perfect periodicity of CdO cubic crystal structure and creates virtual gap states (ViGS). The level of local CNL resides at the branch point of ViGS, making the energy at which native defect’s character changes from predominantly donor-like below CNL to predominantly acceptor-like above the CNL and a schematic band diagram is developed to substantiate the same. Further investigations using soft x-ray absorption spectroscopy (SXAS) at Oxygen and Cadmium edges show the reduction of Sn4+ to Sn2+. The analysis of the spectral features has revealed an evidence of p-d interaction between O 2p and Cd 4d orbitals that pushes the valence band minima at higher energies which is symmetry forbidden at г point and causing a positive valance band dispersion away from the zone centre in the г ~ L, K direction. Thus, origin of the CNL is attributed to the high density of the Oxygen vacancies as confirmed by the change in the local electronic structure and p-d hybridization of orbitals. PMID:28102312

Coilin association with Box C/D scaRNA suggests a direct role for the Cajal body marker protein in scaRNP biogenesis

PubMed Central

Enwerem, Isioma I.; Velma, Venkatramreddy; Broome, Hanna J.; Kuna, Marija; Begum, Rowshan A.; Hebert, Michael D.

2014-01-01

ABSTRACT Spliceosomal small nuclear ribonucleoproteins (snRNPs) are enriched in the Cajal body (CB). Guide RNAs, known as small Cajal body-specific RNAs (scaRNAs), direct modification of the small nuclear RNA (snRNA) component of the snRNP. The protein WRAP53 binds a sequence motif (the CAB box) found in many scaRNAs and the RNA component of telomerase (hTR) and targets these RNAs to the CB. We have previously reported that coilin, the CB marker protein, associates with certain non-coding RNAs. For a more comprehensive examination of the RNAs associated with coilin, we have sequenced the RNA isolated from coilin immunocomplexes. A striking preferential association of coilin with the box C/D scaRNAs 2 and 9, which lack a CAB box, was observed. This association varied by treatment condition and WRAP53 knockdown. In contrast, reduction of WRAP53 did not alter the level of coilin association with hTR. Additional studies showed that coilin degrades/processes scaRNA 2 and 9, associates with active telomerase and can influence telomerase activity. These findings suggest that coilin plays a novel role in the biogenesis of box C/D scaRNPs and telomerase. PMID:24659245

Correlations of charge neutrality level with electronic structure and p-d hybridization

NASA Astrophysics Data System (ADS)

Das, Arkaprava; Gautam, Subodh K.; Shukla, D. K.; Singh, Fouran

2017-01-01

The formation of charge neutrality level (CNL) in highly conducting Cadmium oxide (CdO) thin films is demonstarted by the observed variation in the band gap upon annealing and doping. It may be explained by the observation that Tin (Sn) doping breaks the perfect periodicity of CdO cubic crystal structure and creates virtual gap states (ViGS). The level of local CNL resides at the branch point of ViGS, making the energy at which native defect’s character changes from predominantly donor-like below CNL to predominantly acceptor-like above the CNL and a schematic band diagram is developed to substantiate the same. Further investigations using soft x-ray absorption spectroscopy (SXAS) at Oxygen and Cadmium edges show the reduction of Sn4+ to Sn2+. The analysis of the spectral features has revealed an evidence of p-d interaction between O 2p and Cd 4d orbitals that pushes the valence band minima at higher energies which is symmetry forbidden at г point and causing a positive valance band dispersion away from the zone centre in the г ~ L, K direction. Thus, origin of the CNL is attributed to the high density of the Oxygen vacancies as confirmed by the change in the local electronic structure and p-d hybridization of orbitals.

Enhanced Carrier Collection from CdS Passivated Grains in Solution-Processed Cu2ZnSn(S,Se)4 Solar Cells.

PubMed

Werner, Melanie; Keller, Debora; Haass, Stefan G; Gretener, Christina; Bissig, Benjamin; Fuchs, Peter; La Mattina, Fabio; Erni, Rolf; Romanyuk, Yaroslav E; Tiwari, Ayodhya N

2015-06-10

Solution processing of Cu2ZnSn(S,Se)4 (CZTSSe)-kesterite solar cells is attractive because of easy manufacturing using readily available metal salts. The solution-processed CZTSSe absorbers, however, often suffer from poor morphology with a bilayer structure, exhibiting a dense top crust and a porous bottom layer, albeit yielding efficiencies of over 10%. To understand whether the cell performance is limited by this porous layer, a systematic compositional study using (scanning) transmission electron microscopy ((S)TEM) and energy-dispersive X-ray spectroscopy of the dimethyl sulfoxide processed CZTSSe absorbers is presented. TEM investigation revealed a thin layer of CdS that is formed around the small CZTSSe grains in the porous bottom layer during the chemical bath deposition step. This CdS passivation is found to be beneficial for the cell performance as it increases the carrier collection and facilitates the electron transport. Electron-beam-induced current measurements reveal an enhanced carrier collection for this buried region as compared to reference cells with evaporated CdS.

Determination of the Electrical Junction in Cu(In, Ga)Se2 and Cu2ZnSnSe4 Solar Cells with 20-nm Spatial Resolution

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

Xiao, Chuanxiao; Jiang, Chun-Sheng; Moutinho, Helio

2016-11-21

We located the electrical junction (EJ) of Cu(In, Ga)Se2 (CIGS) and Cu2ZnSnSe4 (CZTS) solar cells with ~20-nm accuracy using a scanning capacitance spectroscopy (SCS) technique. A procedure was developed to prepare the cross-sectional samples and grow critical high-quality insulating layers for the SCS measurement. We found that CIGS has a buried homojunction with the EJ located at ~40 nm inside the CIGS/CdS interface. An n-type CIGS was probed in the region 10-30 nm away from the interface. By contrast, the CZTS/CdS cells have a heterointerface junction with a shallower EJ (~20 nm) than CIGS. The EJ is ~20 nm frommore » the CZTS/CdS interface, which is consistent with asymmetrical carrier concentrations of the p-CZTS and n-CdS in a heterojunction cell. The unambiguous determination of the junction locations helped explain the large open circuit voltage difference between the state-of-the-art devices of CIGS and CZTS.« less

Spatial distribution of heavy metal contamination in soils near a primitive e-waste recycling site.

PubMed

Quan, Sheng-Xiang; Yan, Bo; Yang, Fan; Li, Ning; Xiao, Xian-Ming; Fu, Jia-Mo

2015-01-01

The total concentrations of 12 heavy metals in surface soils (SS, 0-20 cm), middle soils (MS, 30-50 cm) and deep soils (DS, 60-80 cm) from an acid-leaching area, a deserted paddy field and a deserted area of Guiyu were measured. The results showed that the acid-leaching area was heavily contaminated with heavy metals, especially in SS. The mean concentrations of Ni, Cu, Zn, Cd, Sn, Sb and Pb in SS from the acid-leaching area were 278.4, 684.1, 572.8, 1.36, 3,472, 1,706 and 222.8 mg/kg, respectively. Heavy metal pollution in the deserted paddy field was mainly concentrated in SS and MS. The average values of Sb in SS and MS from the deserted paddy field were 16.3 and 20.2 mg/kg, respectively. However, heavy metal contamination of the deserted area was principally found in the DS. Extremely high concentrations of heavy metals were also observed at some special research sites, further confirming that the level of heavy metal pollution was very serious. The geoaccumulation index (Igeo) values revealed that the acid-leaching area was severely polluted with heavy metals in the order of Sb > Sn > Cu > Cd > Ni > Zn > Pb, while deserted paddy field was contaminated predominately by metals in the order of Sb > Sn > Cu. It was obvious that the concentrations of some uncommon contaminants, such as Sb and Sn, were higher than principal contaminants, such as Ni, Cu, Zn and Pb, suggesting that particular attention should be directed to Sn and Sb contamination in the future research of heavy metals in soils from e-waste-processing areas. Correlation analysis suggested that Li and Be in soils from the acid-leaching area and its surrounding environment might have originated from other industrial activities and from batteries, whereas Ni, Cu, Zn, Cd, Pb, Sn and Sb contamination was most likely caused by uncontrolled electronic waste (e-waste) processing. These results indicate the significant need for optimisation of e-waste-dismantling technologies and remediation of polluted soil environment.

VizieR Online Data Catalog: Abundances in dwarfs, subgiants, and giants (da Silva+, 2015)

NASA Astrophysics Data System (ADS)

da Silva, R.; Milone, A. C.; Rocha-Pinto, H. J.

2015-05-01

Photospheric parameters mass, age, and the abundances of C, N, O, Na, Mg, Si, Ca, Ti, V, Mn, Fe, Ni, Cu, and Ba for a sample of FGK dwarfs, subgiants, and giants are derived. We used spectra of high-resolution (R~42,000) and high S/N (>150 on average) available in the ELODIE online database (Moultaka et al., 2004PASP..116..693M). These are spectra collected with the ELODIE high-resolution spectrograph (Baranne et al. 1996) of the Haute Provence Observatory (France). Only spectra with individual S/N>20 and with an image type classified as "object fibre only" (OBJO) were used. (7 data files).

Analysis of tincal ore waste by energy dispersive X-ray fluorescence (EDXRF) Technique

NASA Astrophysics Data System (ADS)

Kalfa, Orhan Murat; Üstündağ, Zafer; Özkırım, Ilknur; Kagan Kadıoğlu, Yusuf

2007-01-01

Etibank Borax Plant is located in Kırka-Eskişehir, Turkey. The borax waste from this plant was analyzed by means of energy dispersive X-ray fluorescence (EDXRF). The standard addition method was used for the determination of the concentration of Al, Fe, Zn, Sn, and Ba. The results are presented and discussed in this paper.

The occurrence and distribution of trace metals in the Mississippi River and its tributaries

USGS Publications Warehouse

Taylor, Howard E.; Garbarino, J.R.; Brinton, T.I.

1990-01-01

Quantitative and semiquantitative analyses of dissolved trace metals are reported for designated sampling sites on the Mississippi River and its main tributaries utilizing depth-integrated and width-integrated sampling technology to collect statistically representative samples. Data are reported for three sampling periods, including: July-August 1987, November-December 1987, and May-June 1988. Concentrations of Al, As, Ba, Be, Cd, Co, Cr, Cu, Fe, Li, Mn, Mo, Pb, Sr, Tl, U, V, and Zn are reported quantitatively, with the remainder of the stable metals in the periodic table reported semiquantitatively. Correlations between As and V, Ba and U, Cu and Zn, Li and Ba, and Li and U are significant at the 99% confidence level for each of the sampling trips. Comparison of the results of this study for selected metals with other published data show generally good agreement for Cr, Cu, Fe, and Zn, moderate agreement for Mo, and poor agreement for Cd and V.

Strain Dependent Electronic Structure and Band Offset Tuning at Heterointerfaces of ASnO3 (A=Ca, Sr, and Ba) and SrTiO3

PubMed Central

Baniecki, John D.; Yamazaki, Takashi; Ricinschi, Dan; Van Overmeere, Quentin; Aso, Hiroyuki; Miyata, Yusuke; Yamada, Hiroaki; Fujimura, Norifumi; Maran, Ronald; Anazawa, Toshihisa; Valanoor, Nagarajan; Imanaka, Yoshihiko

2017-01-01

The valence band (VB) electronic structure and VB alignments at heterointerfaces of strained epitaxial stannate ASnO3 (A=Ca, Sr, and Ba) thin films are characterized using in situ X-ray and ultraviolet photoelectron spectroscopies, with band gaps evaluated using spectroscopic ellipsometry. Scanning transmission electron microscopy with geometric phase analysis is used to resolve strain at atomic resolution. The VB electronic structure is strain state dependent in a manner that correlated with a directional change in Sn-O bond lengths with strain. However, VB offsets are found not to vary significantly with strain, which resulted in ascribing most of the difference in band alignment, due to a change in the band gaps with strain, to the conduction band edge. Our results reveal significant strain tuning of conduction band offsets using epitaxial buffer layers, with strain-induced offset differences as large as 0.6 eV possible for SrSnO3. Such large conduction band offset tunability through elastic strain control may provide a pathway to minimize the loss of charge confinement in 2-dimensional electron gases and enhance the performance of photoelectrochemical stannate-based devices. PMID:28195149

Structure and dielectric properties of (Ba0.7Sr0.3)1- x Na x (Ti0.9Sn0.1)1- x Nb x O3 ceramics

NASA Astrophysics Data System (ADS)

Ghoudi, Hanen; Chkoundali, Souad; Aydi, Abdelhedi; Khirouni, Kamel

2017-11-01

(Ba0.7Sr0.3)1- x Na x (Ti0.9Sn0.1)1- x Nb x O3 ceramics with compositions x = 0.6, 0.7, 0.8 and 0.9 were synthesized using the solid-state reaction method. These ceramics were examined by X-ray diffraction and dielectric measurements over a broad temperature and frequency ranges. X-ray diffraction patterns revealed a single-perovskite phase crystallized in a cubic structure, for x < 0.8, and in tetragonal, for x ≥ 0.8, with Pm3m and P4mm spaces groups, respectively. Two types of behaviors, classical ferroelectric or relaxor, were observed depending on the x composition. It is noted that temperatures T C (the Curie temperature) or T m (the temperature of maximum permittivity) rise when x increases and the relaxor character grows more significantly when x composition decreases. To analyze the dielectric relaxation degree of relaxor, various models were considered. It was proven that an exponential function could well describe the temperature dependence of the static dielectric constant and relaxation time.

Thickness-dependent electrocaloric effect in mixed-phase Pb0.87Ba0.1 La0.02(Zr0.6Sn0.33Ti0.07)O3 thin films

PubMed Central

Correia, T. M.

2016-01-01

Full-perovskite Pb0.87Ba0.1La0.02(Zr0.6Sn0.33Ti0.07)O3 (PBLZST) thin films were fabricated by a sol–gel method. These revealed both rhombohedral and tetragonal phases, as opposed to the full-tetragonal phase previously reported in ceramics. The fractions of tetragonal and rhombohedral phases are found to be strongly dependent on film thickness. The fraction of tetragonal grains increases with increasing film thickness, as the substrate constraint throughout the film decreases with film thickness. The maximum of the dielectric constant (εm) and the corresponding temperature (Tm) are thickness-dependent and dictated by the fraction of rhombohedral and tetragonal phase, with εm reaching a minimum at 400 nm and Tm shifting to higher temperature with increasing thickness. With the thickness increase, the breakdown field decreases, but field-induced antiferroelectric–ferroelectric (EAFE−FE) and ferroelectric–antiferroelectric (EFE−AFE) switch fields increase. The electrocaloric effect increases with increasing film thickness. This article is part of the themed issue ‘Taking the temperature of phase transitions in cool materials’. PMID:27402937

Effect of Ca2+ Ions on Electrical Properties of Ba1-x Ca x Ti0.90Sn0.10O3-0.05Y2O3 Ceramics

NASA Astrophysics Data System (ADS)

Chen, Zhi-hui; Li, Zhi-wei; Ding, Jian-ning; Zhao, Tian-xiang; Qiu, Jian-hua; Zhu, Ke-qian; Xu, Jiu-jun; Zhang, Bing

2018-03-01

Ba1-x Ca x Ti0.90Sn0.10O3-0.05Y2O3 (BCTSY) lead-free piezoceramics with x = 0.02 to 0.10 have been fabricated by solid-state sintering method at 1420°C. The effects of Ca2+ ions on the microstructure and electrical properties of the samples were studied. X-ray diffraction analysis showed that all samples possessed pure perovskite structure with Ca2+ ions diffused into the matrix lattice. The rhombohedral phase and tetragonal phase coexisted in the composition range of 0.02 < x < 0.06. The microstructure of BCTSY ceramic became more homogeneous with addition of Ca2+ ions, and the average grain size of the samples decreased from 97 μm (x = 0.02) to 18 μm (x = 0.10). Addition of Ca2+ remarkably improved the piezoelectric properties, enhanced the dielectric frequency dispersion, and increased the Curie temperature of the ceramics. The piezoelectric properties of the ceramics were optimized at x = 0.04 with d 33 and K p values of 579 pC/N and 52.7%, respectively.

Effect of Ca2+ Ions on Electrical Properties of Ba1- x Ca x Ti0.90Sn0.10O3-0.05Y2O3 Ceramics

NASA Astrophysics Data System (ADS)

Chen, Zhi-hui; Li, Zhi-wei; Ding, Jian-ning; Zhao, Tian-xiang; Qiu, Jian-hua; Zhu, Ke-qian; Xu, Jiu-jun; Zhang, Bing

2018-07-01

Ba1- x Ca x Ti0.90Sn0.10O3-0.05Y2O3 (BCTSY) lead-free piezoceramics with x = 0.02 to 0.10 have been fabricated by solid-state sintering method at 1420°C. The effects of Ca2+ ions on the microstructure and electrical properties of the samples were studied. X-ray diffraction analysis showed that all samples possessed pure perovskite structure with Ca2+ ions diffused into the matrix lattice. The rhombohedral phase and tetragonal phase coexisted in the composition range of 0.02 < x < 0.06. The microstructure of BCTSY ceramic became more homogeneous with addition of Ca2+ ions, and the average grain size of the samples decreased from 97 μm ( x = 0.02) to 18 μm ( x = 0.10). Addition of Ca2+ remarkably improved the piezoelectric properties, enhanced the dielectric frequency dispersion, and increased the Curie temperature of the ceramics. The piezoelectric properties of the ceramics were optimized at x = 0.04 with d 33 and K p values of 579 pC/N and 52.7%, respectively.

Thermoelectric properties and figure of merit of perovskite-type Ba1-xLaxSnO3 with x=0.002-0.008

NASA Astrophysics Data System (ADS)

Yasukawa, Masahiro; Kono, Toshio; Ueda, Kazushige; Yanagi, Hiroshi; Wng Kim, Sung; Hosono, Hideo

2013-10-01

Thermoelectric properties and figure of merit were evaluated from the Seebeck coefficient S, electrical conductivity σ, and thermal conductivity κ measured at high temperatures for perovskite-type ceramics of Ba1-xLaxSnO3 with x=0.002, 0.005, and 0.008, which were prepared by a polymerized complex method and a subsequent spark plasma sintering technique. All the polycrystalline dense ceramics showed n-type degenerate semiconducting behavior in the temperature range of 373-1073 K. The La content dependence of the S values revealed successful increase in the electron carriers with the La doping in this x range. The κ values remained almost unchanged with x showing ~9.6 Wm-1 K-1 at room temperature and decreased with increasing temperature. The electronic thermal conductivities calculated by the Wiedemann-Franz law as well as the T-1 dependence of the κ values indicate that the phonon thermal conductivity was dominant. The dimensionless figure of merit ZT increased with increasing temperature for all the ceramics and showed ~0.1 at 1073 K for the ceramics with x=0.002 and 0.005.

Capturing anharmonicity in a lattice thermal conductivity model for high-throughput predictions

DOE PAGES

Miller, Samuel A.; Gorai, Prashun; Ortiz, Brenden R.; ...

2017-01-06

High-throughput, low-cost, and accurate predictions of thermal properties of new materials would be beneficial in fields ranging from thermal barrier coatings and thermoelectrics to integrated circuits. To date, computational efforts for predicting lattice thermal conductivity (κ L) have been hampered by the complexity associated with computing multiple phonon interactions. In this work, we develop and validate a semiempirical model for κ L by fitting density functional theory calculations to experimental data. Experimental values for κ L come from new measurements on SrIn 2O 4, Ba 2SnO 4, Cu 2ZnSiTe 4, MoTe 2, Ba 3In 2O 6, Cu 3TaTe 4, SnO,more » and InI as well as 55 compounds from across the published literature. Here, to capture the anharmonicity in phonon interactions, we incorporate a structural parameter that allows the model to predict κ L within a factor of 1.5 of the experimental value across 4 orders of magnitude in κ L values and over a diverse chemical and structural phase space, with accuracy similar to or better than that of computationally more expensive models.« less

Variation of the conductance enhancement at BaSnO3/LaInxGa1-xO3 polar Interface

NASA Astrophysics Data System (ADS)

Kim, Young Mo; Shin, Juyeon; Kim, Youjung; Char, Kookrin

We have recently reported that La-doped BaSnO3 (BLSO) displayed conductance enhancement by more than 104 times when LaInO3 (LIO) layer was grown on top of the BLSO layer. The conductance enhancement implies the two-dimensional electron gas (2DEG) formation at the interface. To identify the origin of the conductance enhancement, we developed other heterostructures based on different overlayers. Since LaGaO3 is also a polar perovskite like the LIO with its band gap of 4.4 eV and its lattice constant of 3.9, we investigated the variation of the conductance enhancement at LaIn1-xGaxO3 (LIGO)/BLSO interface while varying the Ga ratio. We first checked the interfacial epitaxial growth of LIGO on BSO by x-ray diffraction measurement and transmission electron microscopy. The sheet conductances of BLSO layer before and after the deposition of LIGO layer were measured. Putting together the structural and electrical properties of the LIGO/BLSO interfaces with various Ga compositions, we will discuss the origin of the conductance enhancement in terms of the strain-induced polarization in the LIGO layer. Samsung Science and Technology Foundation.

Coulomb Excitation of Neutron-Rich Cd Isotopes at REX-ISOLDE

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

Kroell, Th.; Behrens, T.; Kruecken, R.

2005-11-21

We report on the 'safe' Coulomb excitation of neutron-rich Cd isotopes in the vicinity of the doubly magic nucleus 132Sn. The radioactive nuclei have been produced by ISOLDE at CERN and postaccelerated by the REX-ISOLDE facility. The {gamma}-decay of excited states has been detected by the MINIBALL array. Preliminary results for the B(E2) values of 122,124Cd are consistent with expectations from phenomenological systematics.

Coulomb excitation of neutron-rich Cd isotopes at REX-ISOLDE

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

Kroell, Th.; Behrens, T.; Kruecken, R.

2006-04-26

We report on the 'safe' Coulomb excitation of neutron-rich Cd isotopes in the vicinity of the doubly magic nucleus 132Sn. The radioactive nuclei have been produced by ISOLDE at CERN and postaccelerated by the REX-ISOLDE facility. The {gamma}-decay of excited states has been detected by the MINIBALL array. Preliminary results for the B(E2) values of 122,124Cd are consistent with expectations from phenomenological systematics.

Superconducting transition temperature in the Y(1-x)M(x)Ba2Cu3O(y) system

NASA Astrophysics Data System (ADS)

Suzuki, Takeyuki; Yamazaki, Tsutomu; Sekine, Ryuuta; Koukitsu, Akinori; Seki, Hisashi

1989-04-01

Experimental results are presented for the inclusion of compositional additives, M, to the sintered high-temperature superconductor Y(1-x)M(x)Ba2Cu3O(y); M can be the oxides of Mg, Ce, Gd, Yb, Ti, Zr, V, Nb, Ta, Cr, Mo, W, Mn, Fe, Co, Ni, Zn, B, Al, Ga, In, Si, Ge, Sn, Pb, Sb, Bi, and Te, as well as Li, Na, K, Ca, Sr, and La carbonates. Temperature dependence of the electrical resistance was measured down to about 80 K. Attention is given to the influence of ionic radius and the valence of the M species.

Characteristics of trace metals in traffic-derived particles in Hsuehshan Tunnel, Taiwan: size distribution, potential source, and fingerprinting metal ratio

NASA Astrophysics Data System (ADS)

Lin, Y.-C.; Tsai, C.-J.; Wu, Y.-C.; Zhang, R.; Chi, K.-H.; Huang, Y.-T.; Lin, S.-H.; Hsu, S.-C.

2015-04-01

Traffic emissions are a significant source of airborne particulate matter (PM) in ambient environments. These emissions contain an abundance of toxic metals and thus pose adverse effects on human health. Size-fractionated aerosol samples were collected from May to September 2013 by using micro-orifice uniform deposited impactors (MOUDIs). Sample collection was conducted simultaneously at the inlet and outlet sites of Hsuehshan Tunnel in northern Taiwan, which is the second-longest freeway tunnel (12.9 km) in Asia. This endeavor aims to characterize the chemical constituents and size distributions, as well as fingerprinting ratios of particulate metals emitted by vehicle fleets. A total of 36 metals in size-resolved aerosols were determined through inductively coupled plasma mass spectrometry. Three major groups - namely, tailpipe emissions (Zn, Pb, and V in fine mode), wear debris (Cu, Cd, Fe, Ga, Mn, Mo, Sb, and Sn), and resuspended dust (Ca, Mg, K, and Rb) - of airborne PM metals were categorized on the basis of the results of enrichment factor, correlation matrix, and principal component analysis. Size distributions of wear-originated metals resembled the pattern of crustal elements, which were predominated by super-micron particulates (PM1-10). By contrast, tailpipe exhaust elements such as Zn, Pb, and V were distributed mainly in submicron particles. By employing Cu as a tracer of wear abrasion, several inter-metal ratios - including Fe / Cu (14), Ba / Cu (1.05), Sb / Cu (0.16), Sn / Cu (0.10), and Ga / Cu (0.03) - served as fingerprints for wear debris. However, the data set collected in this work is useful for further studies on traffic emission inventory and human health effects of traffic-related PM.

Characteristics of trace metals in traffic-derived particles in Hsuehshan Tunnel, Taiwan: size distribution, fingerprinting metal ratio, and emission factor

NASA Astrophysics Data System (ADS)

Lin, Y.-C.; Tsai, C.-J.; Wu, Y.-C.; Zhang, R.; Chi, K.-H.; Huang, Y.-T.; Lin, S.-H.; Hsu, S.-C.

2014-05-01

Traffic emissions are a significant source of airborne particulate matter (PM) in ambient environments. These emissions contain high abundance of toxic metals and thus pose adverse effects on human health. Size-fractionated aerosol samples were collected from May to September 2013 by using micro-orifice uniform deposited impactor (MOUDI). Sample collection was conducted simultaneously at the inlet and outlet sites of Hsuehshan Tunnel in northern Taiwan, which is the second longest freeway tunnel (12.9 km) in Asia. Such endeavor aims to characterize the chemical constituents, size distributions, and fingerprinting ratios, as well as the emission factors of particulate metals emitted by vehicle fleets. A total of 36 metals in size-resolved aerosols were determined through inductively coupled plasma mass spectrometry. Three major groups, namely, tailpipe emissions (Zn, Pb, and V), wear debris (Cu, Cd, Fe, Ga, Mn, Mo, Sb, and Sn), and resuspended dust (Ca, Mg, K, and Rb), of airborne PM metals were categorized on the basis of the results of enrichment factor, correlation matrix, and principal component analysis. Size distributions of wear-originated metals resembled the pattern of crustal elements, which were predominated by super-micron particulates (PM1-10). By contrast, tailpipe exhaust elements such as Zn, Pb, and V were distributed mainly in submicron particles. By employing Cu as a tracer of wear abrasion, several inter-metal ratios, including Fe/Cu (14), Ba/Cu (1.05), Sb/Cu (0.16), Sn/Cu (0.10), and Ga/Cu (0.03), served as fingerprints for wear debris. Emission factor of PM10 mass was estimated to be 7.7 mg vkm-1. The metal emissions were mostly predominated in super-micron particles (PM1-10). Finally, factors that possibly affect particulate metal emissions inside Hsuehshan Tunnel are discussed.

PERIODS OF VERTEBRAL COLUMN SENSITIVITY TO BORIC ACID TREATMENT IN CD-1 MICE IN UTERO

EPA Science Inventory

Periods of vertebral column sensitivity to boric acid treatment in CD-1 mice in utero.

Cherrington JW, Chernoff N.

Department of Toxicology, North Carolina State University, Raleigh, NC 27695, USA. jana_cherrington@hotmail.com

Boric acid (BA) has many uses as...

A chimeric α-amylase engineered from Bacillus acidicola and Geobacillus thermoleovorans with improved thermostability and catalytic efficiency.

PubMed

Parashar, Deepak; Satyanarayana, T

2016-04-01

The α-amylase (Ba-amy) of Bacillus acidicola was fused with DNA fragments encoding partial N- and C-terminal region of thermostable α-amylase gene of Geobacillus thermoleovorans (Gt-amy). The chimeric enzyme (Ba-Gt-amy) expressed in Escherichia coli displays marked increase in catalytic efficiency [K cat: 4 × 10(4) s(-1) and K cat/K m: 5 × 10(4) mL(-1) mg(-1) s(-1)] and higher thermostability than Ba-amy. The melting temperature (T m) of Ba-Gt-amy (73.8 °C) is also higher than Ba-amy (62 °C), and the CD spectrum analysis revealed the stability of the former, despite minor alteration in secondary structure. Langmuir-Hinshelwood kinetic analysis suggests that the adsorption of Ba-Gt-amy onto raw starch is more favourable than Ba-amy. Ba-Gt-amy is thus a suitable biocatalyst for raw starch saccharification at sub-gelatinization temperatures because of its acid stability, thermostability and Ca(2+) independence, and better than the other known bacterial acidic α-amylases.

Structural and superionic properties of Ag+-rich ternary phases within the AgI-MI2 systems

NASA Astrophysics Data System (ADS)

Hull, S.; Keen, D. A.; Berastegui, P.

2002-12-01

The effects of temperature on the crystal structure and ionic conductivity of the compounds Ag2CdI4, Ag2ZnI4 and Ag3SnI5 have been investigated by powder diffraction and impedance spectroscopy techniques. varepsilon-Ag2CdI4 adopts a tetragonal crystal structure under ambient conditions and abrupt increases in the ionic conductivity are observed at 407(2), 447(3) and 532(4) K, consistent with the sequence of transitions varepsilon-Ag2CdI 4 rightarrow beta-Ag2CdI 4 + beta-AgI + CdI2 rightarrow alpha-AgI + CdI2 rightarrow alpha-Ag2CdI4. Hexagonal beta-Ag2CdI4 is metastable at ambient temperature. The ambient-temperature beta phase of Ag2ZnI4 is orthorhombic and the structures of beta-Ag2CdI4 and beta-Ag2ZnI4 can, respectively, be considered as ordered derivatives of the wurtzite (beta) and zincblende (gamma) phases of AgI. On heating Ag2ZnI4, there is a 12-fold increase in ionic conductivity at 481(1) K and a further eightfold increase at 542(3) K. These changes result from decomposition of beta-Ag2ZnI4 into alpha-AgI + ZnI2, followed by the appearance of superionic alpha-Ag2ZnI4 at the higher temperature. The hexagonal crystal structure of alpha-Ag2ZnI4 is a dynamically disordered counterpart to the beta modification. Ag3SnI5 is only stable at temperatures in excess of 370(3) K and possesses a relatively high ionic conductivity (sigma approx 0.19Omega-1 cm-1 at 420 K) due to dynamic disorder of the Ag+ and Sn2+ within a cubic close packed I- sublattice. The implications of these findings for the wider issue of high ionic conductivity in AgI-MI2 compounds is discussed, with reference to recently published studies of Ag4PbI6 and Ag2HgI4 and new data for the temperature dependence of the ionic conductivity of the latter compound.

Designing lead-free and stable perovskite materials for photovoltaic applications

NASA Astrophysics Data System (ADS)

Sun, Yiyang; Zhang, Shengbai

A critical barrier for large-scale deployment of the current perovskite solar materials is the use of Pb to achieve high power conversion efficiency. While this appears to be a technical issue, there are more fundamental reasons behind. The current research has mainly focused on the replacement of Pb by other elements, in particular, Sn. However, in halide perovskites (i.e., I-II-VII3 composition), Sn is in its less stable 2 + state. The formation of more stable 4 + centers in the Sn(II)-based materials under ambient conditions makes the device efficiency very low. Worse, there might be no other elements across the Periodic Table that can replace Pb while maintaining the desirable properties, such as band gap. Out-of-the-box ideas are therefore called for to stimulate the research in this field. In this talk, two approaches are proposed based on state-of-the-art first-principles calculations. Through a screening of chalcogenide perovskite materials, CaTiS3, BaZrS3, CaZrSe3, and CaHfSe3 have been predicted to have suitable band gaps for making solar cells. Among these materials, BaZrS3 have been synthesized experimentally. Another proposed approach is to introduce dual anions (i.e., splitting the anion sites) that allow the composition to satisfy charge neutrality, while replacing Pb by more environmentally benign elements. One of the candidate materials is CH3NH3BiSI2, which is predicted to have band gap around 1.4 eV and high optical absorption.

Phenotypical and molecular distinctness of sinonasal haemangiopericytoma compared to solitary fibrous tumour of the sinonasal tract.

PubMed

Agaimy, Abbas; Barthelmeß, Sarah; Geddert, Helene; Boltze, Carsten; Moskalev, Evgeny A; Koch, Michael; Wiemann, Stefan; Hartmann, Arndt; Haller, Florian

2014-11-01

Sinonasal haemangiopericytoma (SN-HPC) is a rare sinonasal mesenchymal neoplasm of perivascular myoid cell origin. Solitary fibrous tumour (SFT) occurs only very rarely in the sinonasal tract. SFT and soft tissue HPC have been considered a single entity. Recently, recurrent gene fusions involving NAB2-STAT6 resulting in differential expression of STAT6 were characterized as central molecular events in SFT. However, no data exist for NAB2-STAT6 status or STAT6 expression in SN-HPC. We examined six SN-HPCs and two sinonasal SFTs by immunohistochemistry and RT-PCR for NAB2-STAT6 fusions. SN-HPC affected three females and three males (mean age: 72 years). They expressed smooth muscle actin, lacked strong CD34 reactivity and were negative for nuclear STAT6 expression. RT-PCR analysis confirmed the absence of NAB2-STAT6 fusions in all cases. Conversely, both sinonasal SFTs (in males aged 39 and 52 years) displayed classical features of pleuropulmonary and soft-tissue SFTs (uniformly CD34-positive with strong nuclear expression of STAT6). RT-PCR revealed NAB2-STAT6 fusions in both cases. These findings confirm the molecular and phenotypical distinctness of these two entities. While SN-HPC is a site-specific sinonasal neoplasm of as yet unknown molecular pathogenesis, sinonasal SFTs show phenotypical and molecular identity to their pleural/extrapleural counterparts. © 2014 John Wiley & Sons Ltd.

Stabilization of Fermi level via electronic excitation in Sn doped CdO thin films

NASA Astrophysics Data System (ADS)

Das, Arkaprava; Singh, Fouran

2018-04-01

Pure and Sn doped CdO sol-gel derived thin films were deposited on corning glass substrate and further irradiated by swift heavy ion (SHI) (Ag and O) with fluence upto 3×1013 ions/cm2. The observed tensile stress from X-ray diffraction pattern at higher fluence for Ag ions can be corroborated to the imbrications of cylindrical tracks due to multiple impacts. The anomalous band gap enhancement after irradiation may be attributed to the consolidated effect of Burstein-Moss shift (BMS) and impurity induced virtual gap states (ViGs). At higher excitation density as Fermi stabilization level (EFS) tends to coincide with charge neutrality level (CNL), band gap enhancement saturates as further creation of additional defects inside the lattice becomes unsustainable. Raman spectroscopy divulges an intensity enhancement of 478 cm-1 LO phonon mode with Sn doping and irradiation induces further asymmetric peak broadening due to damage and disordering inside the lattice. However for 3% Sn doped thin film irradiated with Ag ions having 3×1013 fluence shows a drastic change in structural properties and reduction in band gap which might be attributed to the generation of localized energy levels between conduction and valance band due to high density of defects.

Energy band alignment of antiferroelectric (Pb,La)(Zr,Sn,Ti)O3

NASA Astrophysics Data System (ADS)

Klein, Andreas; Lohaus, Christian; Reiser, Patrick; Dimesso, Lucangelo; Wang, Xiucai; Yang, Tongqing

2017-06-01

The energy band alignment of antiferroelectric (Pb,La)(Zr,Sn,Ti)O3 is studied with photoelectron spectroscopy using interfaces with high work function RuO2 and low work function Sn-doped In2O3 (ITO). It is demonstrated how spectral deconvolution can be used to determine absolute Schottky barrier heights for insulating materials with a high accuracy. Using this approach it is found that the valence band maximum energy of (Pb,La)(Zr,Sn,Ti)O3 is found to be comparable to that of Pb- and Bi-containing ferroelectric materials, which is ∼1 eV higher than that of BaTiO3. The results provide additional evidence for the occupation of the 6s orbitals as origin of the higher valence band maximum, which is directly related to the electrical properties of such compounds. The results also verify that the energy band alignment determined by photoelectron spectroscopy of as-deposited electrodes is not influenced by polarisation. The electronic structure of (Pb,La)(Zr,Sn,Ti)O3 should enable doping of the material without strongly modifying its insulating properties, which is crucial for high energy density capacitors. Moreover, the position of the energy bands should result in a great freedom of selecting electrode materials in terms of avoiding charge injection.

Charge states and lattice sites of dilute implanted Sn in ZnO

NASA Astrophysics Data System (ADS)

Mølholt, T. E.; Gunnlaugsson, H. P.; Johnston, K.; Mantovan, R.; Röder, J.; Adoons, V.; Mokhles Gerami, A.; Masenda, H.; Matveyev, Y. A.; Ncube, M.; Unzueta, I.; Bharuth-Ram, K.; Gislason, H. P.; Krastev, P.; Langouche, G.; Naidoo, D.; Ólafsson, S.; Zenkevich, A.; ISOLDE Collaboration

2017-04-01

The common charge states of Sn are 2+  and 4+. While charge neutrality considerations favour 2+  to be the natural charge state of Sn in ZnO, there are several reports suggesting the 4+  state instead. In order to investigate the charge states, lattice sites, and the effect of the ion implantation process of dilute Sn atoms in ZnO, we have performed 119Sn emission Mössbauer spectroscopy on ZnO single crystal samples following ion implantation of radioactive 119In (T ½  =  2.4 min) at temperatures between 96 K and 762 K. Complementary perturbed angular correlation measurements on 111mCd implanted ZnO were also conducted. Our results show that the 2+  state is the natural charge state for Sn in defect free ZnO and that the 4+  charge state is stabilized by acceptor defects created in the implantation process.

Inhibition of calpain activation protects MPTP-induced nigral and spinal cord neurodegeneration, reduces inflammation, and improves gait dynamics in mice

PubMed Central

Samantaray, Supriti; Knaryan, Varduhi H.; Shields, Donald C.; Cox, April A.; Haque, Azizul; Banik, Naren L.

2015-01-01

Parkinson’s disease (PD) is the most common neurodegenerative movement disorder, resulting in dopaminergic (DA) neuronal loss in the substantia nigra pars compacta (SNpc) and damage to extranigral spinal cord neurons. Current therapies do not prevent the disease progression. Hence, developing efficacious therapeutic strategies for treatment of PD is of utmost importance. The goal of this study is to delineate the involvement of calpain-mediated inflammation and neurodegeneration in SN and spinal cord in MPTP-induced parkinsonian mice (C57BL/6N), thereby elucidating potential therapeutic target(s). Increased calpain expression was found localized to tyrosine hydroxylase (TH+) neurons in SN alongside with significantly increased TUNEL positive neurons in SN and spinal cord neurons in MPTP mice. Inflammatory markers Cox-2, caspase-1, and NOS-2 were significantly up-regulated in MPTP mice spinal cord as compared to control. These parameters correlated with the activation of astrocytes, microglia, infiltration of CD4+ / CD8+ T cells and macrophages. We found that subpopulations of CD4+ cells (Th1 & Tregs) were differentially expanded in MPTP mice, which could be regulated by inhibition of calpain with the potent inhibitor calpeptin. Pre-treatment with calpeptin (25 μg/kg, i.p.) attenuated glial activation, T cell infiltration, nigral dopaminergic degeneration in SN, and neuronal death in spinal cord. Importantly, calpeptin ameliorated MPTP-induced altered gait parameters (e.g. reduced stride length and increased stride frequency) as demonstrated by analyses of spatio-temporal gait indices using ventral plane videography. These findings suggest that calpain plays a pivotal role in MPTP-induced nigral and extranigral neurodegenerative processes, and may be a valid therapeutic target in PD. PMID:26108182

SNF1-Related Protein Kinases Type 2 Are Involved in Plant Responses to Cadmium Stress1[C][W

PubMed Central

Kulik, Anna; Anielska-Mazur, Anna; Bucholc, Maria; Koen, Emmanuel; Szymańska, Katarzyna; Żmieńko, Agnieszka; Krzywińska, Ewa; Wawer, Izabela; McLoughlin, Fionn; Ruszkowski, Dariusz; Figlerowicz, Marek; Testerink, Christa; Skłodowska, Aleksandra; Wendehenne, David; Dobrowolska, Grażyna

2012-01-01

Cadmium ions are notorious environmental pollutants. To adapt to cadmium-induced deleterious effects plants have developed sophisticated defense mechanisms. However, the signaling pathways underlying the plant response to cadmium are still elusive. Our data demonstrate that SnRK2s (for SNF1-related protein kinase2) are transiently activated during cadmium exposure and are involved in the regulation of plant response to this stress. Analysis of tobacco (Nicotiana tabacum) Osmotic Stress-Activated Protein Kinase activity in tobacco Bright Yellow 2 cells indicates that reactive oxygen species (ROS) and nitric oxide, produced mainly via an l-arginine-dependent process, contribute to the kinase activation in response to cadmium. SnRK2.4 is the closest homolog of tobacco Osmotic Stress-Activated Protein Kinase in Arabidopsis (Arabidopsis thaliana). Comparative analysis of seedling growth of snrk2.4 knockout mutants versus wild-type Arabidopsis suggests that SnRK2.4 is involved in the inhibition of root growth triggered by cadmium; the mutants were more tolerant to the stress. Measurements of the level of three major species of phytochelatins (PCs) in roots of plants exposed to Cd2+ showed a similar (PC2, PC4) or lower (PC3) concentration in snrk2.4 mutants in comparison to wild-type plants. These results indicate that the enhanced tolerance of the mutants does not result from a difference in the PCs level. Additionally, we have analyzed ROS accumulation in roots subjected to Cd2+ treatment. Our data show significantly lower Cd2+-induced ROS accumulation in the mutants’ roots. Concluding, the obtained results indicate that SnRK2s play a role in the regulation of plant tolerance to cadmium, most probably by controlling ROS accumulation triggered by cadmium ions. PMID:22885934

Role of electron-phonon coupling and thermal expansion on band gaps, carrier mobility, and interfacial offsets in kesterite thin-film solar cells

NASA Astrophysics Data System (ADS)

Monserrat, Bartomeu; Park, Ji-Sang; Kim, Sunghyun; Walsh, Aron

2018-05-01

The efficiencies of solar cells based on kesterite Cu2ZnSnS4 (CZTS) and Cu2ZnSnSe4 (CZTSe) are limited by a low open-circuit voltage due to high rates of non-radiative electron-hole recombination. To probe the origin of this bottleneck, we calculate the band offset of CZTS(Se) with CdS, confirming a weak spike of 0.1 eV for CZTS/wurtzite-CdS and a strong spike of 0.4 eV for CZTSe/wurtzite-CdS. We also consider the effects of temperature on the band alignment, finding that increasing temperature significantly enhances the spike-type offset. We further resolve an outstanding discrepancy between the measured and calculated phonon frequencies for the kesterites, and use these to estimate the upper limit of electron and hole mobilities based on optic phonon Fröhlich scattering, which uncovers an intrinsic asymmetry with faster (minority carrier) electron mobility.

Hybrid quantum dot-tin disulfide field-effect transistors with improved photocurrent and spectral responsivity

DOE PAGES

Cotlet, Mircea; Huang, Yuan Zang; Chen, Jia -Shiang; ...

2016-03-24

We report an improved photosensitivity in few-layer tin disulfide (SnS 2) field-effect transistors(FETs) following doping with CdSe/ZnS core/shell quantum dots(QDs). The hybrid QD-SnS 2 FET devices achieve more than 500% increase in the photocurrent response compared with the starting SnS 2-only FET device and a spectral responsivity reaching over 650 A/W at 400 nm wavelength. The negligible electrical conductance in a control QD-only FET device suggests that the energy transfer between QDs and SnS 2 is the main mechanism responsible for the sensitization effect, which is consistent with the strong spectral overlap between QDphotoluminescence and SnS 2 optical absorption asmore » well as the large nominal donor-acceptor interspacing between QD core and SnS 2. Furthermore, we also find enhanced charge carrier mobility in hybrid QD-SnS 2 FETs which we attribute to a reduced contact Schottky barrier width due to an elevated background charge carrier density.« less

[Studies on six heavy metal elements dissolution characteristics of Andrographis herb by ICP-OES].

PubMed

Tang, Rui; Li, Tian-Peng; Gu, Xue-Shi; Li, Yong-Jian; Yang, Yi

2010-02-01

A simple and accurate method for the simultaneous determination of As, Ba, Cd, Cr, Cu and Pb in andrographis herb by inductively coupled plasma optical emission spectrometry (ICP-OES) was developed. The samples were digested by HNO3-HClO4. The digestion-determination method was evaluated with the relative standard deviations for all these elements between 2.1% and 4.6%, and the recoveries were between 92.0% and 103.2%. The measuring method was proved to be simple, reliable and highly sensitive. The dissolution characteristics of the 6 heavy metal elements in different solvents and with different extraction methods such as refluxing, soaking, and ultrasonic assisted extraction were studied. The experimental results showed that Ba was in the highest concentration followed by Cu and Cr, and the concentration of As, Pb and Cd was relatively lower in the herb. With the increase in ethanol concentration, the dissolution amount of Ba decreased but that of Cu and Cr increased, and the highest concentration of Cd was dissolved in acidic solution. Overall, Cd and Pb were difficult to dissolve out with 85% ethanol refluxing, but As dissolved comparatively more under the same condition. Comparing the extraction methods, the higher concentration of these 6 metals was obtained by refluxing water or alkaline water than that by 85% ethanol maceration. These differences might be related to the existent forms of these six elements in the herb. The determination and study on dissolution characteristics of these elements by using ICP-OES was important for rational using medicinal resources and ensuring the safety of drugs.

Periods of vertebral column sensitivity to boric acid treatment in CD-1 mice in utero.

PubMed

Cherrington, Jana W; Chernoff, Neil

2002-01-01

Boric acid (BA) has many uses as an industrial compound and is widely distributed in the environment. BA has been shown to produce rib agenesis, a rare effect in laboratory animals. This study was conducted to determine if there is a period of sensitivity to this unusual effect. BA (500 or 750 mg/kg) was administered p.o. to pregnant CD-1 mice once daily on gestational days (GDs) 6-10. A reduction of 13th rib length occurred at both dose levels. BA 400mg/kg was also administered twice daily on GD 6, 7, 8, 9, or 10 or on GDs 6-8. A significant decrease in average fetal weight was observed in all treatment groups. Significant increases in the incidence of cervical ribs/ossifications resulted from treatments on GD 7 and GDs 6-8. Rib agenesis occurred with treatment on GD 8 and GDs 6-8. Reduced rib length, a decreased incidence of supernumerary ribs (SNR), and an increased incidence of fused and/or branched ribs occurred when dams were treated GDs 6-8. Doses of 750 mg/kg given twice on day 8 produced significant increases in several thoracic skeletal anomalies. Further studies of pathogenesis are necessary to determine the earliest perturbations and the processes that are affected. The sensitivity of embryos to treatment on GD 8 to rib agenesis suggests that BA is affecting early processes such as gastrulation and presomitic mesoderm formation and patterning in this area.

Modulatory effects of two levels of dietary Alliums on immune response and certain immunological variables, following immunization, in White Leghorn chickens.

PubMed

Hanieh, Hamza; Narabara, Kiyoaki; Piao, Mingzi; Gerile, Chaogetu; Abe, Asaki; Kondo, Yasuhiro

2010-12-01

This study aimed at investigating the effects of dietary Allium sativum (garlic, G) and Allium cepa (onion, O) on immune functions in White Leghorn chicken. One-week-old chicks, were fed diets without (control) or with Alliums (GL and OL, 10 g or GH and OH, 30 g/kg diet). Chickens were immunized with Newcastle disease virus (NDV), sheep red blood cells (SRBC) and Brucella abortus (BA). Antibodies, lymphocyte proliferation, and ratios of CD4(+) , CD8(+) and CD4⁻ CD8⁻ lymphocytes were investigated. Histology and weights of the spleen, thymus and bursa (BF), and white blood cell (WBC) counts were studied as well. Alliums at 10 g/kg diet enhanced anti-NDV, anti-SRBC and anti-BA antibody productions, whereas 30 g/kg diet had less stimulatory effects. Histology of the lymphoid organs and proliferation of peripheral blood lymphocytes (PBL) were not influenced. However, splenocyte and thymocyte proliferations were augmented with garlic. Flow cytometry analysis showed reduction in CD4(+) and increase in CD4⁻ CD8⁻ lymphocyte ratios in GH and OH groups. Garlic-supplemented chickens had heavier spleen and thymus, and higher WBC counts, whereas BF weight increased with both Alliums at 30 g/kg diet. These results suggest that dietary Alliums have a potential to enhance the immune functions in White Leghorn chickens. © 2010 The Authors. Journal compilation © 2010 Japanese Society of Animal Science.

Determination of metal concentrations in certified plastic reference materials after small-size autoclave and microwave-assisted digestion followed with inductively coupled plasma optical emission spectrometry

NASA Astrophysics Data System (ADS)

Lehtimäki, Esa; Väisänen, Ari

2017-01-01

The digestion methods for the determination of As, Cd, Cr, Pb, Sb, Sn and Zn concentrations in plastic samples using microwave-assisted digestion (MW-AD) and small-size autoclave digestion was developed. The certified polyethylene, polypropylene, polyvinyl chloride and acrylonitrile butadiene styrene certified reference materials were used in order to find digestion method working properly for several sample matrices. Efficiency of the digestion methods was evaluated by analyzing the residual carbon in digests by TOC analyzer. MW-AD using a mixture of 7 mL of HNO3 and 3 mL of H2O2 as a digestion solution resulted in excellent recoveries for As, Cd, Pb, Sb and Zn, and were in the range of 92-107% for all the analytes except Pb in polyethylene material. Autoclave digestion using 5 mL of concentrated HNO3 as a digestion solution resulted in similar recoveries with the exception of a higher As recovery (98%). Tin recovery resulted in low level after both MW-AD and autoclave digestion. Autoclave digestion was further developed resulting in a partially open two-step digestion process especially for the determination of Sn and Cr. The method resulted in higher recoveries of Sn and Cr (87 and 76%) but with the lower concentration of easily volatile As, Cd and Sb.

Trace elements distribution in hawksbill turtle (Eretmochelys imbricata) and green turtle (Chelonia mydas) tissues on the northern coast of Bahia, Brazil.

PubMed

de Macêdo, Gustavo R; Tarantino, Taiana B; Barbosa, Isa S; Pires, Thaís T; Rostan, Gonzalo; Goldberg, Daphne W; Pinto, Luis Fernando B; Korn, Maria Graças A; Franke, Carlos Roberto

2015-05-15

Concentrations of elements (As, Al, Ba, Ca, Cd, Co, Cr, Cu, Fe, Hg, K, Mg, Mn, Mo, Na, Ni, Pb, Sb, Se, Sr, V, Zn) were determined in liver, kidneys and bones of Eretmochelys imbricata and Chelonia mydas specimens found stranded along the northern coast of Bahia, Brazil. Results showed that the concentrations of Cd, Cu, Ni and Zn in the liver and kidneys of juvenile C. mydas were the highest found in Brazil. We also observed a significant difference (p<0.05) on the bioaccumulation of trace elements between the two species: Al, Co, Mo, Na and Se in the liver; Al, Cr, Cu, K, Mo, Ni, Pb, Sr and V in the kidneys; and Al, Ba, Ca, Cd, Mn, Ni, Pb, Se, Sr and V in the bones. This study represents the first report on the distribution and concentration of trace elements in E. imbricata in the Brazilian coast. Copyright © 2015 Elsevier Ltd. All rights reserved.

Analysis of Strain Dependent Damping in Materials via Modeling of Material Point Hysteresis

DTIC Science & Technology

1991-07-01

Read input quantities fromi input files. C RBAD(9:5STIi’LE RM(q.A)-)’)SY READ (9, -’(X)’-) RP.AD(9,’jA) ’)SN RFPD(9, ’(A)’ ) SALP 5 FOR.%MT(A) REA" (9...IBSN,IESK) CALL ShLRLN( SALP , IBSAL?, IESALP?) CALL SThLEN( BA, ThSA, IESA) CALL STRLEN(SYT,ZBSFT,J:ESFT) CA*LL STRLEN (Sa~l, IBSARI, IMSAM~) CALL STRI2N...CHAP.ACTER-󈨊 TITLE,SYS,SG,SN, SALP ,SGO,SGP,SA,SI’T CU1RXCT2R- ( ) SARI, SAýR2 ,SAR3, SAR4, SARS, SARI, SAR7,SARP PARAMETER (SARl-’g0-’) PARAMETPR (SAR2""Ys

Dendritic Cells Regulate Treg-Th17 Axis in Obstructive Phase of Bile Duct Injury in Murine Biliary Atresia

PubMed Central

Tang, Shao-tao; Wang, Xin-xing; Cao, Guo-qing; Li, Shuai; Lei, Hai-yan; Zhang, Xi

2015-01-01

Several cell types are considered to be effector cells in bile duct injury in rhesus rotavirus (RRV)-induced experimental biliary atresia (BA). Here, we identified an increased T helper 17 (Th17) cell population in a BA mode. By depleting the Th17 cells, the BA symptoms (onset of jaundice, acholic stools and retarded growth) were attenuated and the survival rate was improved. Furthermore, we found that in mice with BA, the percentage of CD4+CD25highFoxp3+ T regulatory (Treg) cells decreased along with the increased percentage of Th17 cells. However, the absolute numbers of Treg and Th17 cells were both increased in liver of RRV-injected mice compared to saline-injected mice. The proportion of Th17 cells at 7 days post-infection was decreased if Treg cells isolated from normal adult mice, but not Treg cells from the livers of mice with BA, were intraperitoneally transferred on day 5 of life. In vitro experiments also showed that Treg cells from mice with BA had a diminished suppressive effect on Th17 cell generation. To determine the mechanisms, we investigated the production of cytokines in the liver. The level of IL-6, which has been shown to be abundantly secreted by activated dendritic cells (DCs), was remarkably elevated. Importantly, in a Treg/Th17 cell suppression assay, IL-6 was demonstrated to paralyze the Treg cells’ suppressive effect on Th17 cells and eventually the unrestrained increase of Th17 cells contributed to bile duct injury. In conclusion, the DC-regulated Treg-Th17 axis, probably in conjunction with other effector T cells, aggravates progressive inflammatory injury at the time of ductal obstruction. PMID:26325187

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

Gadzhaliev, M. M.; Daunov, M. I.; Musaev, A. M., E-mail: akhmed-musaev@yandex.ru

The pressure dependence of permittivity χ of direct gap ZnO, CdTe, InSb, InAs, CdSnAs{sub 2}, and CdGeAs{sub 2} semiconductors in the hydrostatic pressure range from zero to 1 GPa is determined from the results of quantitative analysis of the pressure dependences of resistivity ρ(P) and Hall constant R{sub H}(P). It is found that the dielectric constant decreases upon an increase in pressure so that coefficient (dχ/d{sub P})/χ increases with (dE{sub g}/dP)/E{sub g}.

The core regulatory network of the abscisic acid pathway in banana: genome-wide identification and expression analyses during development, ripening, and abiotic stress.

PubMed

Hu, Wei; Yan, Yan; Shi, Haitao; Liu, Juhua; Miao, Hongxia; Tie, Weiwei; Ding, Zehong; Ding, XuPo; Wu, Chunlai; Liu, Yang; Wang, Jiashui; Xu, Biyu; Jin, Zhiqiang

2017-08-29

Abscisic acid (ABA) signaling plays a crucial role in developmental and environmental adaptation processes of plants. However, the PYL-PP2C-SnRK2 families that function as the core components of ABA signaling are not well understood in banana. In the present study, 24 PYL, 87 PP2C, and 11 SnRK2 genes were identified from banana, which was further supported by evolutionary relationships, conserved motif and gene structure analyses. The comprehensive transcriptomic analyses showed that banana PYL-PP2C-SnRK2 genes are involved in tissue development, fruit development and ripening, and response to abiotic stress in two cultivated varieties. Moreover, comparative expression analyses of PYL-PP2C-SnRK2 genes between BaXi Jiao (BX) and Fen Jiao (FJ) revealed that PYL-PP2C-SnRK2-mediated ABA signaling might positively regulate banana fruit ripening and tolerance to cold, salt, and osmotic stresses. Finally, interaction networks and co-expression assays demonstrated that the core components of ABA signaling were more active in FJ than in BX in response to abiotic stress, further supporting the crucial role of the genes in tolerance to abiotic stress in banana. This study provides new insights into the complicated transcriptional control of PYL-PP2C-SnRK2 genes, improves the understanding of PYL-PP2C-SnRK2-mediated ABA signaling in the regulation of fruit development, ripening, and response to abiotic stress, and identifies some candidate genes for genetic improvement of banana.

Electron Transport and Minority Carrier Lifetime in HgCdSe 2013 2-6 Workshop

DTIC Science & Technology

2014-03-11

FOR PUBLIC RELEASE Alternative IR Material 0.54 0.56 0.58 0.60 0.62 0.64 -0.5 0.0 0.5 1.0 1.5 2.0 2.5 3.0 3.5 4.0 4.5 HgSe HgTe MgS ZnS MgTe CdS...CdSe ZnSe ZnTe CdTe AlP GaP AlSb InP Ge Si GaSb InSbInAs AlAs GaAs MgSe Ba nd ga p En er gy (e V) Lattice Constant (nm) • HgCdSe is being

Cadmium effect on structural properties of Cu{sub 2}Zn{sub 1-x}Cd{sub x}SnS{sub 4} quinternary alloys nanostructures

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

Ibraheam, A. S.; Al-Douri, Y., E-mail: yaldouri@yahoo.com; Hashim, U.

The study report novel sensing plat of extended quinternart materials, Cu{sub 2}Zn{sub 1-x}d{sub x}SnS{sub 4} quinternary alloy nanostructures were fabricated onto oxidized silicon substrate by sol-gel method and characterized were synthesized by X-ray diffraction (XRD). The XRD peaks were shifted towered the lower angle side with increasing cadmium content. The practical size average of the Cu{sub 2}Zn{sub 1-x}d{sub x}SnS{sub 4} quinternary alloy nanostructures between 34.55 to 63.30 nm.

Experimental challenges for the measurement of the 116Cd(20Ne,20O)116Sn double charge exchange reaction at 15 AMeV

NASA Astrophysics Data System (ADS)

Carbone, D.; Cappuzzello, F.; Agodi, C.; Cavallaro, M.; Acosta, L.; Bonanno, D.; Bongiovanni, D.; Borello, T.; Boztosun, I.; Calabrese, S.; Calvo, D.; Chávez Lomelí, E. R.; Deshmukh, N.; de Faria, P. N.; Finocchiaro, P.; Fisichella, M.; Foti, A.; Gallo, G.; Hacisalihoglu, A.; Iazzi, F.; Introzzi, R.; Lanzalone, G.; Linares, R.; Longhitano, F.; Lo Presti, D.; Medina, N.; Muoio, A.; Oliveira, J. R. B.; Pakou, A.; Pandola, L.; Pinna, F.; Reito, S.; Russo, G.; Santagati, G.; Sgouros, O.; Solakcı, S. O.; Soukeras, V.; Souliotis, G.; Spatafora, A.; Torresi, D.; Tudisco, S.; Yildirim, A.; Zagatto, V. A. B.;

2018-05-01

The knowledge of the nuclear matrix elements (NME) entering in the expression of the half-life of the neutrinoless double beta decay is fundamental for neutrino physics. Information on the nuclear matrix elements can be obtained by measuring the absolute cross section of double charge exchange nuclear reactions. The two processes present some similarities, the initial and final-state wave functions are the same and the transition operators are similar. The experimental measurements of double charge exchange reactions induced by heavy ions present a number of challenging aspects, since such reactions are characterized by very low cross sections. Such difficulties are discussed for the measurement of the 116Cd(20Ne,20O)116Sn reaction at 15 AMeV.

Hypofractionated Irradiation Has Immune Stimulatory Potential and Induces a Timely Restricted Infiltration of Immune Cells in Colon Cancer Tumors

PubMed Central

Frey, Benjamin; Rückert, Michael; Weber, Julia; Mayr, Xaver; Derer, Anja; Lotter, Michael; Bert, Christoph; Rödel, Franz; Fietkau, Rainer; Gaipl, Udo S.

2017-01-01

In addition to locally controlling the tumor, hypofractionated radiotherapy (RT) particularly aims to activate immune cells in the RT-modified microenvironment. Therefore, we examined whether hypofractionated RT can activate dendritic cells (DCs), induce immune cell infiltration in tumors, and how the chronology of immune cell migration into tumors occurs to gain knowledge for future definition of radiation breaks and inclusion of immunotherapy. Colorectal cancer treatments offer only limited survival benefit, and immunobiological principles for additional therapies need to be explored with preclinical models. The impact of hypofractionated RT on CT26 colon cancer tumor cell death, migration of DCs toward supernatants (SN) of tumor cells, and activation of DCs by SN were analyzed. The subcutaneous tumor of a BALB/c-CT26 mouse model was locally irradiated with 2 × 5 Gy, the tumor volume was monitored, and the infiltration of immune cells in the tumor was determined by flow cytometry daily. Hypofractionated RT induced a mixture of apoptotic and necrotic CT26 cells, which is known to be in particular immunogenic. DCs that migrated toward SN of CT26 cells particularly upregulated the activation markers CD80 and CD86 when in contact with SN of irradiated tumor cells. After hypofractionated RT, the tumor outgrowth was significantly retarded and in the irradiated tumors an increased infiltration of macrophages (CD11bhigh/F4-80+) and DCs (MHC-II+), but only between day 5 and 10 after the first irradiation, takes place. While CD4+ T cells migrated into non-irradiated and irradiated tumors, CD8+ T cells were only found in tumors that had been irradiated and they were highly increased at day 8 after the first irradiation. Myeloid-derived suppressor cells and regulatory T cells show regular turnover in irradiated and non-irradiated tumors. Tumor cell-specific anti-IgM antibodies were enhanced in the serum of animals with irradiated tumors. We conclude that hypofractionated RT suffices to activate DCs and to induce infiltration of innate and adaptive immune cells into solid colorectal tumors. However, the presence of immune cells in the tumor which are beneficial for antitumor immune responses is timely restricted. These findings should be considered when innovative multimodal tumor treatment protocols of distinct RT with immune therapies are designed and clinically implemented. PMID:28337197

Solid solution partitioning of Sr2+, Ba2+, and Cd2+ to calcite

USGS Publications Warehouse

Tesoriero, A.J.; Pankow, J.F.

1996-01-01

Although solid solutions play important roles in controlling the concentrations of minor metal ions in natural waters, uncertainties regarding their compositions, thermodynamics, and kinetics usually prevent them from being considered. A range of precipitation rates was used here to study the nonequilibrium and equilibrium partitioning behaviors of Sr2+, Ba2+, and Cd2+ to calcite (CaCO3(s)). The distribution coefficient of a divalent metal ion Me2+ for partitioning from an aqueous solution into calcite is given by DMe = (XMeCO3(s)/[Me2+])/(XCaCO3(s)/[Ca 2+]). The X values are solid-phase mole fractions; the bracketed values are the aqueous molal concentrations. In agreement with prior work, at intermediate to high precipitation rates R (nmol/mg-min), DSr, DBa, and DCd were found to depend strongly on R. At low R, the values of DSr, DBa, and DCd became constant with R. At 25??C, the equilibrium values for DSr, DBa, and DCd for dilute solid solutions were estimated to be 0.021 ?? 0.003, 0.012 ?? 0.005, and 1240 ?? 300, respectively. Calculations using these values were made to illustrate the likely importance of partitioning of these ions to calcite in groundwater systems. Due to its large equilibrium DMe value, movement of Cd2+ will be strongly retarded in aquifers containing calcite; Sr2+ and Ba2+ will not be retarded nearly as much.

Development of Long REBCO with BMO Coated Conductors by PLD Method with High Production Rate

NASA Astrophysics Data System (ADS)

Ibi, A.; Yoshida, T.; Taneda, T.; Yoshizumi, M.; Izumi, T.; Shiohara, Y.

We have been developing long REBa2Cu3O7-δ (RE: Y, Gd and Eu etc.) with BaMO3 (M: Zr, Sn and Hf etc.) coated conductors by the combination of the ion-beam assisted deposition (IBAD) and the pulsed laser deposition (PLD) methods. REBa2Cu3O7-δ with BaMO3 coated conductors showed high in-field performance, therefore, these coated conductors could be expected for the industrial and commercial applications at high temperatures in magnetic fields. However, to realize the low production cost for long REBa2Cu3O7-δ with BaMO3 coated conductors, improvement of the production rate of the REBa2Cu3O7-δ layers containing BaMO3 rods with maintaining high superconducting properties is required. To solve these problems, we have tried deposition of the REBa2Cu3O7-δ layers with high superconducting properties by the PLD method with high production rate. As a result, we have successfully fabricated EuBa2Cu3O7-δ layers containing BaHfO3 rods with high in-field Jc and Ic by the PLD method with high production rate. This EuBa2Cu3O7-δ with BaHfO3 coated conductor exhibit a high Ic value of 412 and 48.7 A/cm-width at 77 K in self-field and 3 T, respectively at the deposition rate of about 40 μm/h and the production rate of 10 m/h for a 1.35 μm EuBCO layer thick.

Three new barium dwarfs with white dwarf companions: BD+68°1027, RE J0702+129 and BD+80°670

NASA Astrophysics Data System (ADS)

Kong, X. M.; Bharat Kumar, Y.; Zhao, G.; Zhao, J. K.; Fang, X. S.; Shi, J. R.; Wang, L.; Zhang, J. B.; Yan, H. L.

2018-02-01

We report three new barium (Ba) dwarfs lying in Sirius-like systems. They provide direct evidence that Ba dwarfs are companions to white dwarfs (WDs). Atmospheric parameters, stellar masses and the chemical abundances of 25 elements, including light, α, Fe-peak and s-process elements, are derived from high-resolution and high S/N spectra. The enhancement of s-process elements with [s/Fe] ratios between 0.4 and 0.6 confirm them as mild barium stars. The estimated metallicities (-0.31, -0.06 and 0.13) of BD+68°1027, RE J0702+129 and BD+80°670 are in the range of known Ba dwarfs and giants. As expected, the observed indices [hs/ls], [s/Fe] and [C/Fe] show an anti-correlation with metallicity. Asymptotic giant branch (AGB) progenitor masses are estimated for the WD companions of RE J0702+129 (1.47 M⊙) and BD+80°670 (3.59 M⊙). These confirm the predicted range of progenitor AGB masses (1.5-4 M⊙) for unseen WDs around Ba dwarfs. The surface abundances of s-process elements in RE J0702+129 and BD+80°670 are compared with AGB models and they are in close agreement, within the predicted accretion efficiencies and pollution factors for Ba stars. These results support that the origin of s-process overabundances in Ba dwarfs is similar to those of Ba giants via the McClure hypothesis in which Ba stars accumulate s-process elements through mass transfer from their host companions during the AGB phase.

Influence of source distribution and geochemical composition of aerosols on children exposure in the large polymetallic mining region of the Bolivian Altiplano.

PubMed

Goix, Sylvaine; Point, David; Oliva, Priscia; Polve, Mireille; Duprey, Jean Louis; Mazurek, Hubert; Guislain, Ludivine; Huayta, Carlos; Barbieri, Flavia L; Gardon, Jacques

2011-12-15

The Bolivian Altiplano (Highlands) region is subject to intense mining, tailing and smelting activities since centuries because of the presence of large and unique polymetallic ore deposits (Ag, Au, Cu, Pb, Sn, Sb, Zn). A large scale PM(10), PM(2.5) aerosol monitoring survey was conducted during the dry season in one of the largest mining cities of this region (Oruro, 200,000 inhabitants). Aerosol fractions, source distribution and transport were investigated for 23 elements at approximately 1 km(2) scale resolution, and compared to children exposure data obtained within the same geographical space. As, Cd, Pb, Sb, W and Zn in aerosols are present at relatively high concentrations when compared to studies from other mining regions. Arsenic exceeds the European council PM(10) guide value (6 ng/m(3)) for 90% of the samples, topping 200 ng/m(3). Ag, As, Cd, Cu, Pb and Sb are present at significantly higher levels in the district located in the vicinity of the smelter zone. At the city level, principal component analysis combined with the mapping of factor scores allowed the identification and deconvolution of four individual sources: i) a natural magmatic source (Co, Cs, Fe, K, Mn, Na, Rb and U) originating from soil dust, resuspended by the traffic activity; ii) a natural sedimentary source (Mg, Ca, Sr, Ba and Th) resulting from the suspension of evaporative salt deposits located South; iii) an anthropogenic source specifically enriched in mined elements (As, Cd, Cu, Pb, Sb and Zn) mainly in the smelting district of the city; and iv) a Ni-Cr source homogenously distributed between the different city districts. Enrichment factors for As, Cd and Sb clearly show the impact of smelting activities, particularly in the finest PM(2.5) fraction. Comparison to children's hair metal contents collected in five schools from different districts shows a direct exposure to smelting activity fingerprinted by a unique trace elements pattern (Ag, As, Cu, Pb, Sb). Copyright © 2011 Elsevier B.V. All rights reserved.

Comparison of trace element concentrations in livers of diseased, emaciated and non-diseased southern sea otters from the California coast

USGS Publications Warehouse

Kannan, K.; Agusa, T.; Perrotta, E.; Thomas, N.J.; Tanabe, S.

2006-01-01

Infectious diseases have been implicated as a cause of high rates of adult mortality in southern sea otters. Exposure to environmental contaminants can compromise the immuno-competence of animals, predisposing them to infectious diseases. In addition to organic pollutants, certain trace elements can modulate the immune system in marine mammals. Nevertheless, reports of occurrence of trace elements, including toxic heavy metals, in sea otters are not available. In this study, concentrations of 20 trace elements (V, Cr, Mn, Co, Cu, Zn, Rb, Sr, Mo, Ag, Cd, In, Sn, Sb, Cs, Ba, Hg, Tl, Pb, and Bi) were measured in livers of southern sea otters found dead along the central California coast (n = 80) from 1992 to 2002. Hepatic concentrations of trace elements were compared among sea otters that died from infectious diseases (n = 27), those that died from non-infectious causes (n = 26), and otters that died in emaciated condition with no evidence of another cause of death (n = 27). Concentrations of essential elements in sea otters varied within an order of magnitude, whereas concentrations of non-essential elements varied by two to five orders of magnitude. Hepatic concentrations of Cu and Cd were 10- to 100-fold higher in the sea otters in this study than concentrations reported for any other marine mammal species. Concentrations of Mn, Co, Zn, and Cd were elevated in the diseased and emaciated sea otters relative to the non-diseased sea otters. Elevated concentrations of essential elements such as Mn, Zn, and Co in the diseased/emaciated sea otters suggest that induction of synthesis of metallothionein and superoxide dismutase (SOD) enzyme is occurring in these animals, as a means of protecting the cells from oxidative stress-related injuries. Trace element profiles in diseased and emaciated sea otters suggest that oxidative stress mediates the perturbation of essential-element concentrations. Elevated concentrations of toxic metals such as Cd, in addition to several other organic pollutants, may contribute to oxidative stress-meditated effects in sea otters.

[The significances of peripheral neutrophils CD(55) and myeloperoxidase expression in patients with myeloperoxidase-specific anti-neutrophil cytoplasmic antibody associated vasculitis].

PubMed

Zhou, X L; Zheng, M J; Shuai, Z W; Zhang, L; Zhang, M M; Chen, S Y

2017-06-01

Objective: To investigate the expression of CD(55) and myeloperoxidase (MPO) on neutrophils in patients with MPO-specific anti-neutrophil cytoplasmic antibody associated vasculitis(MPO-AAV), and analyze the relationship between the expression and clinical manifestation. Methods: Forty untreated patients with active MPO-AAV (patient group) and 30 healthy volunteers (control group) were enrolled in this study. The CD(55) on neutrophils and both membrane and cytoplasmic MPO were detected by flow cytometry. Serum fragment-from the activated complement factor B(Ba) and MPO were measured by ELISA. The clinical activity of vasculitis was valued by Birmingham vasculitis activity score-version 3(BVAS-V3). The significance of laboratory data was evaluated by Spearman correlation test and multivariate linear regression analysis. Results: (1)The mean fluorescence intensity(MFI) of CD(55) expressed on neutrophils was significantly higher than that in control group[4 068.6±2 306.0 vs 2 999.5±1 504.9, P =0.033]. Similar results of serum MPO and Ba in patient group were found compared to controls [500.0(381.0, 612.7) IU/L vs 286.9(225.5, 329.1) IU/L, P <0.001; 35.2(25.2, 79.5) ng/L vs 18.0(15.0, 28.0) ng/L, P <0.001], respectively. However, MIF of cytoplasmic MPO in patients was significantly lower than that of control group(1 577.1±1 175.9 vs 3 105.3±2 323.0, P =0.003) . (2) In patient group, cytoplasmic intensity of MPO was negatively associated with the serum levels of MPO( r =-0.710, P <0.001) and Ba ( r =-0.589, P =0.001). Moreover, serum MPO was positively associated with serum Ba( r =0.691, P <0.001). Membrane intensity of CD(55) on neutrophils was positively correlated with patient age ( r =0.514, P =0.001), C reactive protein ( r =0.376, P =0.018), peripheral neutrophils count ( r =0.485, P =0.001) and BVAS-V3 ( r =0.484, P =0.002), whereas negative correlation between membrane CD(55) and disease duration was seen ( r =-0.403, P =0.01). (3) The result of multiple linear regression analysis showed there was statistically significant positive correlation between MFI of CD(55) expressed on neutrophils and BVAS-V3 (β=0.001, P =0.027). Conclusions: In MPO-AAV, CD(55) expression on neutrophils is markedly enhanced, which is one of the independent risk factors related to disease activity. It might protect neutrophils from attacking AAV, CD(55) expression on neutrophils is markedly enhanced, which is one of the independent risk factors related to disease activity. It might protect neutrophils from attacking by complement alternative pathway. Activated neutrophils release more MPO and lysosome to intensify the inflammation reaction and aggravate the disease. Thus CD(55) might become a new potential target for the treatment of this disease in the future.

Effect of metal ions on the enzymatic hydrolysis of hemp seed oil by lipase Candida sp. 99-125.

PubMed

Lu, Jike; Wang, Pei; Ke, Zhaodi; Liu, Xin; Kang, Qiaozhen; Hao, Limin

2018-07-15

In order to study the effect of metal ions on the enzymatic hydrolysis of hemp seed oil by Candida sp. 99-125, the spectroscopy, stability and hydrolytic activity of the biocatalyst were investigated in presence of Ca 2+ , Mg 2+ , Fe 2+ , Fe 3+ , Cu 2+ , Sn 2+ , Pb 2+ , Zn 2+ and Ba 2+ metal ions, respectively. The UV spectroscopy showed that all the metal ions enhanced the absorbance but the decrease of fluorescence intensity was observed. All the metal ions could improve the lipase thermal stability except Cu 2+ and Ba 2+ . Hydrolysis of hemp seed oil proved that Ca 2+ , Fe 3+ , Pb 2+ and Ba 2+ could significantly improve the hydrolytic rate, and metal ions could influence lipase selectivity. The study revealed that metal ions could improve lipase stability, hydrolysis activity in the hydrolytic process of hemp seed oil by Candida sp. 99-125. Copyright © 2018 Elsevier B.V. All rights reserved.

Characterisation of a PdCl 2/SnCl 2 electroless plating catalyst system adsorbed on barium titanate-based electroactive ceramics

NASA Astrophysics Data System (ADS)

Meenan, B. J.; Brown, N. M. D.; Wilson, J. W.

1994-03-01

A PdCl 2/SnCl 2 metallisation catalyst system, of the type used to activate non-conducting surfaces for electroless metal deposition, has been characterised by X-ray photoelectron spectroscopy (XPS) and scanning electron microscopy (SEM). The substrate is a barium titanate (BaTiO 3)-based electroactive ceramic of the type used in the fabrication of multilayer ceramic capacitors (MLCC). The treatment of the substrate surface with the PdCl 2/SnCl 2 "sensitiser" solution leads to the adsorption of catalytically inactive compounds of palladium and tin. Subsequent treatment of this surface with an "accelerator" solution removes excess oxides, hydroxides and salts of tin thereby leaving the active catalyst species, Pd xSn y, on the surface. Such sites, on exposure to the appropriete electroless plating bath, are then responsible for the metal deposition. In this study, the chemical state and relative quantities of the various surface species present after each of the processing stages have been determined by XPS. The surface roughness of the substrate results in less of the tin compounds present thereon being removed on washing the catalysed surface in the accelerator solution than normally reported for such systems, thereby affecting the measured Pd: Sn ratio. SEM studies show that the accelerator solution treatment generates crystalline areas, which may be a result of coagulation of the Pd xSn y particles present, in the otherwise amorphous catalyst coating.

Composition of plume-influenced mid-ocean ridge lavas and glasses from the Mid-Atlantic Ridge, East Pacific Rise, Galápagos Spreading Center, and Gulf of Aden

NASA Astrophysics Data System (ADS)

Kelley, Katherine A.; Kingsley, Richard; Schilling, Jean-Guy

2013-01-01

The global mid-ocean ridge system is peppered with localities where mantle plumes impinge on oceanic spreading centers. Here, we present new, high resolution and high precision data for 40 trace elements in 573 samples of variably plume-influenced mid-ocean ridge basalts from the Mid-Atlantic ridge, the Easter Microplate and Salas y Gomez seamounts, the Galápagos spreading center, and the Gulf of Aden, in addition to previously unpublished major element and isotopic data for these regions. Included in the data set are the unconventional trace elements Mo, Cd, Sn, Sb, W, and Tl, which are not commonly reported by most geochemical studies. We show variations in the ratios Mo/Ce, Cd/Dy, Sn/Sm, Sb/Ce, W/U, and Rb/Tl, which are expected not to fractionate significantly during melting or crystallization, as a function of proximity to plume-related features on these ridges. The Cd/Dy and Sn/Sm ratios show little variation with plume proximity, although higher Cd/Dy may signal increases in the role of garnet in the mantle source beneath some plumes. Globally, the Rb/Tl ratio closely approximates the La/SmN ratio, and thus provides a sensitive tracer of enriched mantle domains. The W/U ratio is not elevated at plume centers, but we find significant enrichments in W/U, and to a lesser extent the Mo/Ce and Sb/Ce ratios, at mid-ocean ridges proximal to plumes. Such enrichments may provide evidence of far-field entrainment of lower mantle material that has interacted with the core by deeply-rooted, upwelling mantle plumes.

International Conference (4th) on Nanostructured Materials Held in Stockholm, Sweden on 14-19 June 1998. Book of Abstracts

DTIC Science & Technology

1998-06-19

Coatings P2-67 Kuruvilla, B.A.; Nanda, J.; Sarma, D.D.; India Optical Properties ofPbS- CdS Coated Semiconductor Nanoparticles P2-68 Misra, S.; India...including phosphors, pigments and magnetic materials. In this study, the synthesis of ZnS, CdS and Ce2S3 nanoparticles by mechanochemical reaction has...formation of separated nanoparticles ; ZnS, CdS and Ce2S3 nanoparticles of ~7 nm, ɠ nm and -20 nm, respectively, were obtained. The average size of CdS

Calculation of levels, transition rates, and lifetimes for the arsenic isoelectronic sequence Sn XVIII-Ba XXIV, W XLII

NASA Astrophysics Data System (ADS)

Wang, K.; Chen, Z. B.; Chen, C. Y.; Yan, J.; Dang, W.; Zhao, X. H.; Yang, X.

2017-09-01

Multi-configuration Dirac-Fock (MCDF) calculations of energy levels, wavelengths, oscillator strengths, lifetimes, and electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), magnetic quadrupole (M2) transition rates are reported for the arsenic isoelectronic sequence Sn XVIII-Ba XXIV, W XLII. Results are presented among the 86 levels of the 4s2 4p3, 4 s 4p4, 4p5, 4s2 4p2 4 d, and 4 s 4p3 4 d configurations in each ion. The relativistic atomic structure package GRASP2K is adopted for the calculations, in which the contributions from the correlations within the n ≤ 7 complexes, Breit interaction (BI) and quantum electrodynamics (QED) effects are taking into account. The many-body perturbation theory (MBPT) method is also employed as an independent calculation for comparison purposes, taking W XLII as an example. Calculated results are compared with data from other calculations and the observed values from the Atomic Spectra Database (ASD) of the National Institute of Standards and Technology (NIST). Good agreements are obtained. i.e, the accuracy of our energy levels is assessed to be better than 0.6%. These accurate theoretical data should be useful for diagnostics of hot plasmas in fusion devices.

Analysis of the Binding Sites of Porcine Sialoadhesin Receptor with PRRSV

PubMed Central

Jiang, Yibo; Khan, Faheem Ahmed; Pandupuspitasari, Nuruliarizki Shinta; Kadariya, Ishwari; Cheng, Zhangrui; Ren, Yuwei; Chen, Xing; Zhou, Ao; Yang, Liguo; Kong, Dexin; Zhang, Shujun

2013-01-01

Porcine reproductive and respiratory syndrome virus (PRRSV) can infect pigs and cause enormous economic losses to the pig industry worldwide. Porcine sialoadhesin (pSN) and CD163 have been identified as key viral receptors on porcine alveolar macrophages (PAM), a main target cell infected by PRRSV. In this study, the protein structures of amino acids 1–119 from the pSN and cSN (cattle sialoadhesin) N-termini (excluding the 19-amino acid signal peptide) were modeled via homology modeling based on mSN (mouse sialoadhesin) template structures using bioinformatics tools. Subsequently, pSN and cSN homology structures were superposed onto the mSN protein structure to predict the binding sites of pSN. As a validation experiment, the SN N-terminus (including the wild-type and site-directed-mutant-types of pSN and cSN) was cloned and expressed as a SN-GFP chimera protein. The binding activity between SN and PRRSV was confirmed by WB (Western blotting), FAR-WB (far Western blotting), ELISA (enzyme-linked immunosorbent assay) and immunofluorescence assay. We found that the S107 amino acid residue in the pSN N-terminal played a crucial role in forming a special cavity, as well as a hydrogen bond for enhancing PRRSV binding during PRRSV infection. S107 may be glycosylated during PRRSV infection and may also be involved in forming the cavity for binding PRRSV along with other sites, including W2, Y44, S45, R97, R105, W106 and V109. Additionally, S107 might also be important for pSN binding with PRRSV. However, the function of these binding sites must be confirmed by further studies. PMID:24351868

Effects of divalent cations and La3+ on contractility and ecto-ATPase activity in the guinea-pig urinary bladder.

PubMed Central

Ziganshin, A U; Ziganshina, L E; Hoyle, C H; Burnstock, G

1995-01-01

1. Several cations (Ba2+, Cd2+, Co2+, Cu2+, Mn2+, Ni2+, Zn2+ and La3+, all as chloride salts, 1-1000 microM) were tested in the guinea-pig urinary bladder for their ability to: (i) modify contractile responses to electrical field stimulation (EFS), ATP, alpha,beta-methylene ATP (alpha,beta-meATP), carbachol (CCh), and KCl; (ii) affect ecto-ATPase activity. 2. Ba2+ (10-1000 microM) concentration-dependently potentiated contractile responses evoked by EFS (4-16 Hz), ATP (100 microM), alpha,beta-meATP (1 microM), CCh (0.5 microM), and KCl (30 mM). Ni2+ at concentrations of 1-100 microM also potentiated contractility of the urinary bladder, but at concentrations tested its effect was not concentration-dependent. Cu2+ at a concentration of 10 microM and Cd2+ at a concentration of 1 microM potentiated responses to all stimuli, except KCl. Ni2+ at a concentration of 1000 microM and Cd2+ at a concentration of 100 microM inhibited contractions evoked by all stimuli, and at a concentration of 1000 microM Cd2+ abolished any contractions. Responses to ATP and alpha,beta-meATP were selectively inhibited by Cu2+, Zn2+ or La3+, each at a concentration of 1 mM. 3. Cu2+, Ni2+, Zn2+ and La3+ (100-1000 microM) concentration-dependently inhibited ecto-ATPase activity in the urinary bladder smooth muscle preparations, while Ba2+ and Mn2+ were without effect, and Cd2+ and Co2+ caused significant inhibition only at a concentration of 1000 microM. 4. There was no correlation between the extent of ecto-ATPase inhibition and the effect on contractile activity of any of the cations.(ABSTRACT TRUNCATED AT 250 WORDS) PMID:7735690

Tin and germanium based two-dimensional Ruddlesden-Popper hybrid perovskites for potential lead-free photovoltaic and photoelectronic applications.

PubMed

Ma, Liang; Ju, Ming-Gang; Dai, Jun; Zeng, Xiao Cheng

2018-06-21

Despite their high power conversion efficiency, the commercial applications of hybrid organic-inorganic lead (Pb) halide perovskite based solar cells are still hampered by concerns about the toxicity of Pb and the structural stability in open air. Herein, based on density-functional theory computation, we show that lead-free tin (Sn) and germanium (Ge) based two-dimensional (2D) Ruddlesden-Popper hybrid organic-inorganic perovskites with a thickness of a few unit-cells, BA2MAn-1MnI3n+1 (M = Sn or Ge, n = 2-4), possess desirable electronic, excitonic and light absorption properties, thereby showing promise for photovoltaic and/or photoelectronic applications. In particular, we show that by increasing the layer thickness of the Sn-based 2D perovskites, the bandgap can be lowered towards the optimal range (0.9-1.6 eV) for solar cells. Meanwhile, the exciton binding energy is reduced to a more optimal value. In addition, theoretical assessment indicates that the thermodynamic stability of Sn-/Ge-based 2D perovskites is notably enhanced compared to that of their 3D analogues. These features render the Sn-/Ge-based 2D hybrid perovskites with a thickness of a few tens of unit cells promising lead-free perovskites with much improved structural stabilities for photovoltaic and/or photoelectronic applications.

Dielectric Properties of Sol-Gel Derived Barium Strontium Titanate and Microwave Sintering of Ceramics

NASA Astrophysics Data System (ADS)

Selmi, Fathi A.

This thesis consists of two areas of research: (1) sol-gel processing of Ba_{rm 1-x}Sr_{rm x} TiO_3 ceramics and their dielectric properties measurement; and (2) microwave versus conventional sintering of ceramics such as Al_2 O_3, Ba_{ rm 1-x}Sr_{rm x}TiO_3, Sb-doped SnO _2 and YBa_2Cu _3O_7. Sol-gel powders of BaTiO_3, SrTiO_3, and their solid solutions were synthesized by the hydrolysis of titanium isopropoxide and Ba and Sr methoxyethoxides. The loss tangent and dielectric constant of both sol-gel and conventionally prepared and sintered Ba_{rm 1-x}Sr _{rm x}TiO _3 ceramics were investigated at high frequencies. The sol-gel prepared ceramics showed higher dielectric constant and lower loss compared to those prepared conventionally. Ba _{rm 1-x}Sr _{rm x}TiO_3 ceramics were tunable with applied bias, indicating the potential use of this material for phase shifter applications. Porous Ba_{0.65}Sr _{0.35}TiO_3 was also investigated to lower the dielectric constant. Microwave sintering of alpha -Al_2O_3 and SrTiO_3 was investigated using an ordinary kitchen microwave oven (2.45 GHz; 600 Watts). The use of microwaves with good insulation of alpha -Al_2O_3 and SrTiO_3 samples resulted in their rapid sintering with good final densities of 96 and 98% of the theoretical density, respectively. A comparison of grain size for conventionally and microwave sintered SrTiO_3 samples did not show a noticeable difference. However, the grain size of microwave sintered alpha-Al_2O _3 was found to be larger than that of conventionally sintered sample. These results show that rapid sintering of ceramics can be achieved by using microwave radiation. The sintering behavior of coprecipitated Sb-doped SnO_2 was investigated using microwave power absorption. With microwave power, samples were sintered at 1450^circC for 20 minutes and showed a density as high as 99.9% of theoretical. However, samples fired in a conventional electric furnace at the same temperature for 4 hours showed only 60% of theoretical density. Microwave sintering also led to improvement in terms of uniform structure and electrical properties. Ba_{0.65}Sr _{0.35}TiO_3 was sintered using the microwave power at 1300 ^circC for 10 minutes. A density of 99% was achieved with small and uniform grain size. Superconducting powders have been successfully prepared by the sol-gel process and sintered and annealed using microwave power. Sintering and densification was achieved in a shorter time with microwave heating than with conventional heating and microwave heating appears to result in refined microstructure.

Protective effect of boric acid on lead- and cadmium-induced genotoxicity in V79 cells.

PubMed

Ustündağ, Aylin; Behm, Claudia; Föllmann, Wolfram; Duydu, Yalçin; Degen, Gisela H

2014-06-01

The toxic heavy metals cadmium (Cd) and lead (Pb) are important environmental pollutants which can cause serious damage to human health. As the metal ions (Cd(2+) and Pb(2+)) accumulate in the organism, there is special concern regarding chronic toxicity and damage to the genetic material. Metal-induced genotoxicity has been attributed to indirect mechanisms, such as induction of oxidative stress and interference with DNA repair. Boron is a naturally occurring element and considered to be an essential micronutrient, although the cellular activities of boron compounds remain largely unexplored. The present study has been conducted to evaluate potential protective effects of boric acid (BA) against genotoxicity induced by cadmium chloride (CdCl2) and lead chloride (PbCl2) in V79 cell cultures. Cytotoxicity assays (neutral red uptake and cell titer blue assay) served to determine suitable concentrations for subsequent genotoxicity assays. Chromosomal damage and DNA strand breaks were assessed by micronucleus tests and comet assays. Both PbCl2 and CdCl2 (at 3, 5 and 10 µM) were shown to induce concentration-dependent increases in micronucleus frequencies and DNA strand breaks in V79 cells. BA itself was not cytotoxic (up to 300 µM) and showed no genotoxic effects. Pretreatment of cells with low levels of BA (2.5 and 10 µM) was found to strongly reduce the genotoxic effects of the tested metals. Based on the findings of this in vitro study, it can be suggested that boron provides an efficient protection against the induction of DNA strand breaks and micronuclei by lead and cadmium. Further studies on the underlying mechanisms for the protective effect of boron are needed.

Mobile Phones-An asset or a liability: A study based on characterization and assessment of metals in waste mobile phone components using leaching tests.

PubMed

Hira, Meenakshi; Yadav, Sudesh; Morthekai, P; Linda, Anurag; Kumar, Sushil; Sharma, Anupam

2018-01-15

The prolonged use of old fashioned gadgets, especially mobile phones, is declining readily with the advancement in technology which ultimately lead to generation of e-waste. The present study investigates the concentrations of nine metals (Ba, Cd, Cr, Cu, Fe, Ni, Pb, Sn, and Zn) in various components of the mobile phones using Toxicity Characteristic Leaching Procedure (TCLP), Waste Extraction Test (WET) and Synthetic Precipitation Leaching Procedure (SPLP). The results were compared with the threshold limits for hazardous waste defined by the California Department of Toxic Substances Control (CDTSC) and United States Environmental Protection Agency (USEPA). The average concentrations of metals were found high in PWBs. WET was found relatively aggressive as compared to TCLP and SPLP. Redundancy analysis (RDA) suggests that part of mobile, extraction test, manufacturer, mobile model and year of manufacturing explain 34.66% of the variance. According to the present study, waste mobile phones must be considered as hazardous due to the potential adverse impact of toxic metals on human health and environment. However, mobile phones can be an asset as systematic extraction and recycling could reduce the demand of primary metals mining and conserve the natural resources. Copyright © 2017 Elsevier B.V. All rights reserved.

Human exposure to trace elements through the skin by direct contact with clothing: Risk assessment.

PubMed

Rovira, Joaquim; Nadal, Martí; Schuhmacher, Marta; Domingo, José L

2015-07-01

Metals in textile products and clothing are used for many purposes, such as metal complex dyes, pigments, mordant, catalyst in synthetic fabrics manufacture, synergists of flame retardants, antimicrobials, or as water repellents and odour-preventive agents. When present in textile materials, heavy metals may mean a potential danger to human health. In the present study, the concentrations of a number of elements (Al, As, B, Ba, Be, Bi, Cd, Co, Cr, Cu, Fe, Hg, Mg, Mn, Mo, Ni, Pb, Sb, Sc, Se, Sm, Sn, Sr, Tl, V, and Zn) were determined in skin-contact clothes. Analysed clothes were made of different materials, colours, and brands. Interestingly, we found high levels of Cr in polyamide dark clothes (605 mg/kg), high Sb concentrations in polyester clothes (141 mg/kg), and great Cu levels in some green cotton fabrics (around 280 mg/kg). Dermal contact exposure and human health risks for adult males, adult females, and for <1-year-old children were assessed. Non-carcinogenic and carcinogenic risks were below safe (HQ<1) and acceptable (<10(-6)) limits, respectively, according to international standards. However, for Sb, non-carcinogenic risk was above 10% of the safety limit (HQ>0.1) for dermal contact with clothes. Copyright © 2015 Elsevier Inc. All rights reserved.

Biomonitoring of 37 trace elements in blood samples from inhabitants of northern Germany by ICP-MS.

PubMed

Heitland, Peter; Köster, Helmut D

2006-01-01

The trace elements Ag, As, Au, B, Ba, Be, Bi, Cd, Ce, Co, Cs, Cu, Ga, Hf, Hg, In, La, Mn, Mo, Ni, Pb, Pd, Rb, Rh, Ru, Sb, Se, Sn, Sr, Te, Th, Tl, U, V, W, Y and Zr were determined in 130 human blood samples from occupationally non-exposed volunteers living in the greater area of Bremen in northern Germany. The blood samples were collected in lithium heparin monovettes developed for trace metal determination and were analysed by inductively coupled plasma mass spectrometry (ICP-MS) with an octopole-based collision/reaction cell. For sample introduction into the ICP, the blood samples were diluted 1/10 (V/V) with a 0.1% Triton-X-100 and 0.5% (V/V) ammonia solution. The method validation of our developed routine method is described for all 37 elements and results about internal and external quality assurance are discussed. Information on exposure conditions of all human subjects were collected by questionnaire-based interviews, including smoking habits, seafood consumption and the type of dental alloys in the teeth. Mean values, geometric mean values, ranges and selected percentiles of all elemental concentrations in human blood are presented, which helps toxicologists and clinical chemists planning research about exposition to metals and health effects caused by exposition to metals.

Investigation of drinking water quality in Kosovo.

PubMed

Berisha, Fatlume; Goessler, Walter

2013-01-01

In the recent years, not much environmental monitoring has been conducted in the territory of Kosovo. This study represents the first comprehensive monitoring of the drinking water situation throughout most of the territory of Kosovo. We present the distribution of major and minor trace elements in drinking water samples from Kosovo. During our study we collected 951 samples from four different sources: private-bored wells; naturally flowing artesian water; pumped-drilled wells; and public water sources (tap water). The randomly selected drinking water samples were investigated by routine water analyses using inductively coupled plasma mass spectrometry (ICPMS) for 32 elements (Li, Be, B, Na, Mg, Al, K, Ca, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, As, Rb, Sr, Mo, Ag, Cd, Sn, Sb, Te, Ba, Tl, Pb, Bi, Th, U). Even though there are set guidelines for elemental exposure in drinking water worldwide, in developing countries, such as Kosovo, the lack of monitoring drinking water continues to be an important health concern. This study reports the concentrations of major and minor elements in the drinking water in Kosovo. Additionally, we show the variation of the metal concentration within different sources. Of the 15 regulated elements, the following five elements: Mn, Fe, Al, Ni, As, and U were the elements which most often exceeded the guidelines set by the EU and/or WHO.

CD13 Autoantibodies Are Elevated in Sera From Mothers of Infants With Neonatal Cholestasis of Different Causes.

PubMed

Xu, Xinling; Rahbar, Afsar; Omarsdottir, Soley; Teng, Jonas; Németh, Antal; Fischler, Björn; Söderberg-Nauclér, Cecilia

2017-01-01

Human cytomegalovirus (HCMV) infection induces production of CD13-specific autoantibodies, which may promote inflammation and tissue damage. HCMV infection has been suggested as a cause of biliary atresia (BA), but little is known of its role in other forms of neonatal cholestasis. We studied serum levels of CD13-specific autoantibodies in mothers of infants with neonatal cholestasis of different causes, including BA, and in mothers of healthy, term infants without cholestasis, as well as in healthy blood donors. Using fluorescence-activated cell sorting, we measured CD13-specific autoantibody levels in serum from the above-mentioned groups. In addition, the effect of serum from mothers of infants with neonatal cholestasis was tested on the differentiation of monocytes into macrophages. CD13-specific autoantibodies were found in mothers of infants with neonatal cholestasis, but not in mothers of infants without cholestasis and healthy blood donors, and were associated with HCMV seropositivity. Sera from mothers of infants with all forms of neonatal cholestasis inhibited differentiation of monocytes into macrophages, but this was not dependent on CD13-specific autoantibodies. The significantly higher frequency of CD13-specific autoantibodies in mothers of infants with neonatal cholestasis of all forms compared with mothers of healthy infants without cholestasis suggests an association, but does not prove that they are pathogenic. The presence of CD13-specific autoantibodies does not correlate with HCMV IgG serostatus, suggesting a more complicated mechanism that possibly reflects active HCMV infection in these individuals. Further studies are needed to elucidate whether these autoantibodies contribute to the development of cholestasis or represent an epiphenomenon.

Microstructural control and superconducting properties of YBCO melt textured single crystals

NASA Astrophysics Data System (ADS)

Jongprateep, Oratai

The high temperature superconductor has great potential for practical applications such as superconducting energy storage systems. Since the levitation force, required specifically for these applications, largely depends on the critical current density and loop size of the superconducting current, large-sized single crystals with high critical current density are desired. To achieve the goal in fabricating YBa2Cu3O 7-delta (Y123) samples suitable for the applications, detailed and systematic studies are required to gain further understanding of the crystal growth and flux pinning mechanisms. This research is aimed at constituting a contribution to the knowledge base for the Y123 high temperature superconductor field by extending the study of processing conditions involved in controlling the microstructure of the Y123 superconductors for the enhancement of crystal growth and superconductor properties. Relations among processing parameters, microstructure, crystal growth, and critical current density of Y123 superconductors have been established. The experimental results reveal that low heating rate and short holding time can lead to refinement of Y2BaCuO5 (Y211) particles, which is strongly favorable to enhancement of the crystal growth and electrical properties of the Y123 superconductors. It was observed that relatively large Y123 crystals (17-22 mm in size) can be obtained with fine needle-shaped Y211 particles, processed with low heating rate and short holding time at the maximum temperatures. Additionally, the research also formulated a technique to fabricate Y123 superconductors with improved electrical properties required for the practical applications. By incorporating additives such as BaCeO3, BaSnO 3, Pt and Nd2O3 into Y123 superconductors, refinement of Y211 particles occurs. In addition, secondary phase particles with sizes in sub-micrometer and nanometer range can be formed in the Y123 superconductors. The interfaces between the Y123 matrix and these Y211 or secondary phase particles are believed to act as flux pinning sites and to enhance the critical current density (Jc) in the superconductor. The results showed that formation of secondary phase inclusions in Y123 by doping with BaCeO3, BaSnO 3, Pt or Nd2O3 result in enhancement of J c due to the effective flux pinning.

EPR investigation of local structure for [Mn(H 2O) 6] 2+ cluster in [M(H 2O) 6]XCl 6:Mn 2+ (M = Zn, Mg, Cd, Ca; X = Pt, Sn) systems at different temperatures

NASA Astrophysics Data System (ADS)

Tian, Wen-Yan; Kuang, Xiao-Yu; Li, Hui-Fang; Li, Yan-Fang; Ying-Li

2009-01-01

A theoretical method for studying the inter-relation between the local structure and EPR spectra is established by diagonalizing the complete energy matrices. For [M(H 2O) 6]XCl 6:Mn 2+ (M = Zn, Mg, Cd, Ca; X = Pt, Sn) systems, the calculated results demonstrate that the local structures around the octahedral Mn 2+ centers in the doped systems are very similar despite of the host crystals being different. Furthermore, it is shown that the EPR zero-field parameter D depends simultaneously on the local structure parameters R and θ while ( a - F) depends mainly on R, whether the doped systems are at liquid-nitrogen temperature or room temperature.

Enrichment and Bioavailability of Trace Elements in Soil in Vicinity of Railways in Japan.

PubMed

Wang, Zhen; Watanabe, Izumi; Ozaki, Hirozaku; Zhang, Jianqiang

2018-01-01

This study focuses on the concentrations, distribution, pollution levels, and bioavailability of 12 trace elements in soils along 6 different railways in Japan. Three diesel powered railways and three electricity powered railways were chosen as target. Surface soils (< 3 cm) were collected in vicinity of railways for analysis. Digestion and extraction were performed before concentration and bioavailability analysis. Enrichment factor was applied to investigate contamination levels of selected elements. The mean concentrations of Cr, Co, Ni, Cu, Zn, Sn, and Pb in soil samples were higher than soil background value in Japan. Concentrations of trace elements in soils along different railway had different characteristics. Horizontal distribution of Cu, Zn, Cd, Sn, and Pb in soil samples showed obviously downtrend with distance along railways with high frequency. Concentrations of V, Mn, Fe, and Co were higher in soils along railways which pass through city center. According to principal component analysis and cluster analysis, concentrations of Cu, Zn, Sn, and Pb could be considered as the indicators of soil contamination level along electricity powered trains, whereas indicators along diesel powered trains were not clear. Enrichment factor analysis proved that operation of freight trains had impact on pollution level of Cr, Ni, and Cd. Bioavailability of Mn, Co, Zn, and Cd in soil along electricity-powered railways were higher, and bioavailability of Pb in railways located in countryside was lower. Thus, enrichment and bioavailability of trace elements can be indicators of railway-originated trace elements pollution in soil.

Levels and ecological risk assessment of metals in soils from a typical e-waste recycling region in southeast China.

PubMed

Zhao, Weituo; Ding, Lei; Gu, Xiaowen; Luo, Jie; Liu, Yunlang; Guo, Li; Shi, Yi; Huang, Ting; Cheng, Shenggao

2015-11-01

Due to the high threat to human health and the ecosystem from metals, the levels and distribution of As, Hg, Cr, Co, Ni, Cu, Zn, Cd, Pb, Mn, V, Sn, Sb, Li and Be in various layers of soil from an e-waste recycling area in Guiyu, China were investigated. The extent of pollution from the metals in soil was assessed using enrichment factors (EFs) and the Nemerow pollution index (P N ). To determine the metals' integrated potential ecological risks, the potential ecological risk index (RI) was chosen. The concentrations of Hg, Ni, Cu, Cd, Pb, Sn and Sb were mainly enriched in the topsoil. EF values (2-5) of the elements Hg, Co, Ni, Zn, Sn, Li and Be revealed their moderate enrichment status in the topsoil, derived from e-waste recycling activities. P N presented a decreasing trend in different layers in the order topsoil (0-20 cm) > deep soil (100-150 cm) > middle soil (50-100 cm) > shallow soil (20-50 cm). With higher potential ecological risk factor (E(i)), Hg and Cd are the main contributors to the potential ecological risk. With respect to the RI, all the values in soil from the study area exceeded 300, especially for the soil at sites S2, S4, S5, S7 and S8, where RI was greater than 600. Therefore, immediate remediation of the contaminated soil is necessary to prevent the release of metals and potential ecological harm.

Spectroscopic properties of 130Sb, 132Te and 134I nuclei in 100-132Sn magic cores

NASA Astrophysics Data System (ADS)

Benrachi, Fatima; Khiter, Meriem; Laouet, Nadjet

2017-09-01

We have performed shell model calculations by means of Oxbash nuclear structure code using recent experimental single particle (spes) and single hole (shes) energies with valence space models above the 100sn and 132sn doubly magic cores. The two-body matrix elements (tbme) of original CD-Bonn realistic interaction are introduced after have been modified taking into account the three-body forces. We have focused our study on spectroscopic properties evaluation of 130Sb, 132Te and 134I nuclei, in particular their energy spectra, transition probabilities and moments have been determined. The getting spectra are in reasonable agreement with the experimental data.

Metal atom dynamics in superbulky metallocenes: a comparison of (Cp(BIG))2Sn and (Cp(BIG))2Eu.

PubMed

Harder, Sjoerd; Naglav, Dominik; Schwerdtfeger, Peter; Nowik, Israel; Herber, Rolfe H

2014-02-17

Cp(BIG)2Sn (Cp(BIG) = (4-n-Bu-C6H4)5cyclopentadienyl), prepared by reaction of 2 equiv of Cp(BIG)Na with SnCl2, crystallized isomorphous to other known metallocenes with this ligand (Ca, Sr, Ba, Sm, Eu, Yb). Similarly, it shows perfect linearity, C-H···C(π) bonding between the Cp(BIG) rings and out-of-plane bending of the aryl substituents toward the metal. Whereas all other Cp(BIG)2M complexes show large disorder in the metal position, the Sn atom in Cp(BIG)2Sn is perfectly ordered. In contrast, (119)Sn and (151)Eu Mößbauer investigations on the corresponding Cp(BIG)2M metallocenes show that Sn(II) is more dynamic and loosely bound than Eu(II). The large displacement factors in the group 2 and especially in the lanthanide(II) metallocenes Cp(BIG)2M can be explained by static metal disorder in a plane parallel to the Cp(BIG) rings. Despite parallel Cp(BIG) rings, these metallocenes have a nonlinear Cpcenter-M-Cpcenter geometry. This is explained by an ionic model in which metal atoms are polarized by the negatively charged Cp rings. The extent of nonlinearity is in line with trends found in M(2+) ion polarizabilities. The range of known calculated dipole polarizabilities at the Douglas-Kroll CCSD(T) level was extended with values (atomic units) for Sn(2+) 15.35, Sm(2+)(4f(6) (7)F) 9.82, Eu(2+)(4f(7) (8)S) 8.99, and Yb(2+)(4f(14) (1)S) 6.55. This polarizability model cannot be applied to predominantly covalently bound Cp(BIG)2Sn, which shows a perfectly ordered structure. The bent geometry of Cp*2Sn should therefore not be explained by metal polarizability but is due to van der Waals Cp*···Cp* attraction and (to some extent) to a small p-character component in the Sn lone pair.

SNe 2013K and 2013am: observed and physical properties of two slow, normal Type IIP events

NASA Astrophysics Data System (ADS)

Tomasella, L.; Cappellaro, E.; Pumo, M. L.; Jerkstrand, A.; Benetti, S.; Elias-Rosa, N.; Fraser, M.; Inserra, C.; Pastorello, A.; Turatto, M.; Anderson, J. P.; Galbany, L.; Gutiérrez, C. P.; Kankare, E.; Pignata, G.; Terreran, G.; Valenti, S.; Barbarino, C.; Bauer, F. E.; Botticella, M. T.; Chen, T.-W.; Gal-Yam, A.; Harutyunyan, A.; Howell, D. A.; Maguire, K.; Morales Garoffolo, A.; Ochner, P.; Smartt, S. J.; Schulze, S.; Young, D. R.; Zampieri, L.

2018-04-01

We present 1 yr of optical and near-infrared photometry and spectroscopy of the Type IIP SNe 2013K and 2013am. Both objects are affected by significant extinction, due to their location in dusty regions of their respective host galaxies, ESO 009-10 and NGC 3623 (M65). From the photospheric to nebular phases, these objects display spectra congruent with those of underluminous Type IIP SNe (i.e. the archetypal SNe 1997D or 2005cs), showing low photospheric velocities (˜2 × 103 km s-1 at 50 d) together with features arising from Ba II that are particularly prominent in faint SNe IIP. The peak V-band magnitudes of SN 2013K (-15.6 mag) and SN 2013am (-16.2 mag) are fainter than standard-luminosity Type IIP SNe. The ejected nickel masses are 0.012 ± 0.010 and 0.015 ± 0.006 M⊙ for SN 2013K and SN 2013am, respectively. The physical properties of the progenitors at the time of explosion are derived through hydrodynamical modelling. Fitting the bolometric curves, the expansion velocity and the temperature evolution, we infer total ejected masses of 12 and 11.5 M⊙, pre-SN radii of ˜460 and ˜360 R⊙, and explosion energies of 0.34 foe and 0.40 foe for SN 2013K and SN 2013am. Late time spectra are used to estimate the progenitor masses from the strength of nebular emission lines, which turn out to be consistent with red supergiant progenitors of ˜15 M⊙. For both SNe, a low-energy explosion of a moderate-mass red supergiant star is therefore the favoured scenario.

The major components of particles emitted during recycling of waste printed circuit boards in a typical e-waste workshop of South China

NASA Astrophysics Data System (ADS)

Bi, Xinhui; Simoneit, Bernd R. T.; Wang, ZhenZhen; Wang, Xinming; Sheng, Guoying; Fu, Jiamo

2010-11-01

Electronic waste from across the world is dismantled and disposed of in China. The low-tech recycling methods have caused severe air pollution. Air particle samples from a typical workshop of South China engaged in recycling waste printed circuit boards have been analyzed with respect to chemical constituents. This is the first report on the chemical composition of particulate matter (PM) emitted in an e-waste recycling workshop of South China. The results show that the composition of PM from this recycling process was totally different from other emission sources. Organic matter comprised 46.7-51.6% of the PM. The major organic constituents were organophosphates consisting mainly of triphenyl phosphate (TPP) and its methyl substituted compounds, methyl esters of hexadecanoic and octadecanoic acids, levoglucosan and bisphenol A. TPP and bisphenol A were present at 1-5 orders of magnitude higher than in other indoor and outdoor environments throughout the world, which implies that they might be used as potential markers for e-waste recycling. The elemental carbon, inorganic elements and ions had a minor contribution to the PM (<5% each). The inorganic elements were dominated by phosphorus and followed by crustal elements and metal elements Pb, Zn, Sn, and lesser Cu, Sb, Mn, Ni, Ba and Cd. The recycling of printed circuit boards was demonstrated as an important contributor of heavy metal contamination, particularly Cd, Pb and Ni, to the local environment. These findings suggest that this recycling method represents a strong source of PM associated with pollutants to the ambient atmosphere of an e-waste recycling locale.

Thiopurines are negatively associated with anthropometric parameters in pediatric Crohn’s disease

PubMed Central

Gupta, Neera; Lustig, Robert H; Chao, Cewin; Vittinghoff, Eric; Andrews, Howard; Leu, Cheng-Shiun

2018-01-01

AIM To determine the distribution of anthropometric parameter (AP)-z-scores and characterize associations between medications/serum biomarkers and AP-z-scores in pediatric Crohn’s disease (CD). METHODS CD patients [< chronological age (CA) 21 years] were enrolled in a cross-sectional study. Descriptive statistics were generated for participants’ demographic characteristics and key variables of interest. Paired t-tests were used to compare AP-z-scores calculated based on CA (CA z-scores) and bone age (BA) (BA z-scores) for interpretation of AP’s. Linear regression was utilized to examine associations between medications and serum biomarkers with AP-z-scores calculated based on CA (n = 82) and BA (n = 49). We reported regression coefficients as well as their corresponding p-values and 95% confidence intervals. RESULTS Mean CA at the time of the study visit was 15.3 ± 3.5 (SD; range = 4.8-20.7) years. Mean triceps skinfold (P = 0.039), subscapular skinfold (P = 0.002) and mid-arm circumference (MAC) (P = 0.001) BA z-scores were higher than corresponding CA z-scores. Medications were positively associated with subscapular skinfold [adalimumab (P = 0.018) and methotrexate (P = 0.027)] and BMI CA z-scores [adalimumab (P = 0.029)]. Azathioprine/6-mercaptopurine were negatively associated with MAC (P = 0.045), subscapular skinfold (P = 0.014), weight (P = 0.002) and BMI (P = 0.013) CA z-scores. ESR, CRP, and WBC count were negatively associated, while albumin and IGF-1 BA z-scores were positively associated, with specific AP z-scores (P < 0.05). Mean height CA z-scores were higher in females, not males, treated with infliximab (P = 0.038). Hemoglobin (P = 0.018) was positively associated, while platelets (P = 0.005), ESR (P = 0.003) and CRP (P = 0.039) were negatively associated with height CA z-scores in males, not females. CONCLUSION Our results suggest poor efficacy of thiopurines and a possible sex difference in statural growth response to infliximab in pediatric CD. Prospective longitudinal studies are required. PMID:29760546

Development of Novel, Band-Gap Engineered Photorefractive Semiconductors CdMnTe:V For Real Time Optical Processing

DTIC Science & Technology

1998-06-01

foreign nations. AFRL-SN-RS-TR-1998-104 has been reviewed and is approved for publication. APPROVED: GEORGE A. BROST Project Engineer FOR THE...REPORT NUMBER AFRL-SN-RS-TR-1998-104 11. SUPPLEMENTARY NOTES Project Engineer: George Brost , AFRL/SNDR, (315) 330-7669 12a. DISTRIBUTION...program was monitored by Dr. George Brost of Rome Laboratory, Griffiss Air Force Base. We thank Dr. Brost for his constant interest, support and

Host Materials for Transition-Metal Ions

DTIC Science & Technology

1989-09-01

Spectra of 3d Transition Elements in KMgF3 Crystal, Soy. Phys. Solid State 19 (1977), 340. 21. H . Onuki , F. Sugawara, M. Hirano, and Y. Yamaguchi...on Cs2SnBr 6 .... h ............. 84 13.2 Crystal-Field Components, Anm, for Sn (Oh) Site .............. 814 13.3 Experimental Parameters...A.M VSg Kleef, Y. N. .3oshi, and R. P. Srivastava, Analysis of’ Cd V: I.--4Ida-id’ 5p Transitions, Physica 114IC (1982), 105. 15. H . Benschop, Y. N

Teal Ruby Experiment. Phase I Definition Study. Volume I. Part 2. Appendixes

DTIC Science & Technology

1977-05-01

degree, Engineering Mechanics, Stanford University; M.S., Physics, New Mexico State University; B.A., Mathematics, Uaiversity of California atLos...Receiving Inspection Supervisor, military aircraft parts and materials * M.B.A., Mexico City College; Industrial Engineering, General Motors Institute A...S$Act ..MCA!y. f A SuiSn.•..v Of t¢OCtNI1 AI*CIATf COIOV*A,*ON LMSC-5699533 RICHARD- C. SEXT -ON -. Material Procurement Responsibilities

Development of MBE grown Pb-salt semiconductor lasers for the 8.0 to 15.0 micrometer spectral region

NASA Technical Reports Server (NTRS)

Miller, M. D.

1981-01-01

Diodes lasers are fabricated using multiple source molecular beam expitaxial growth of (PbSn)Te on BaF2 substrates. Methods for crystal growth, crystal transfer, and device fabrication by photolithographic techniques were developed. The lasers operate in the spectra range from 10 microns to 14 microns and at temperatures from 12K to 60K continuous wave and to 95 K pulsed.

Compositional analysis and pollution impact assessment: A case study in the Gulfs of Naples and Salerno

NASA Astrophysics Data System (ADS)

Menghan, Wang; Stefano, Albanese; Annamaria, Lima; Claudia, Cannatelli; Antonio, Cosenza; Wanjun, Lu; Marco, Sacchi; Angela, Doherty; Benedetto, De Vivo

2015-07-01

This paper presents the results of an environmental geochemical investigation of the Gulfs of Naples and Salerno, near the Campania plain (Southern Italy). Surface marine sediment samples were collected during three field campaigns: 96 from the Gulfs of Naples and Salerno (NaSa); 123 from the Bagnoli site coastal area (BaSi); and 11 from the ports around the Gulf of Naples (PoNa). Elemental concentrations were determined and their interpolated distribution maps were compiled. Three geochemical sources (or processes) were determined associating elemental distribution with the results obtained from a R-mode factor analysis: 1) geogenic, 2) water kinetics and 3) anthropogenic. The results are presented as raw data single element distributions of eight potential toxic elements (PTEs) (As, Cd, Cr, Cu, Hg, Pb, Ni and Zn) in the forms of raw data and additive log-ratio transformed data. The latter showed advantages in revealing the actual distribution patterns. Geochemical background reference values of PTEs were determined from the median value of local background reference values. Based on these values, pollution impact analysis was carried out to both BaSi and PoNa samples, indicating most of BaSi and PoNa sediments were affected by moderate to strong Pb, Zn, Cd and Hg pollution. An ecological risk assessment was subsequently carried out on the entire database, pointing a toxic risk ranking in the order Pb > As > Ni > Cd > Hg > Cr.

Expression, purification and characterization of the recombinant cysteine-rich antimicrobial peptide snakin-1 in Pichia pastoris.

PubMed

Kuddus, Md Ruhul; Rumi, Farhana; Tsutsumi, Motosuke; Takahashi, Rika; Yamano, Megumi; Kamiya, Masakatsu; Kikukawa, Takashi; Demura, Makoto; Aizawa, Tomoyasu

2016-06-01

Snakin-1 (SN-1) is a small cysteine-rich plant antimicrobial peptide with broad spectrum antimicrobial activity which was isolated from potato (Solanum tuberosum). Here, we carried out the expression of a recombinant SN-1 in the methylotrophic yeast Pichia pastoris, along with its purification and characterization. A DNA fragment encoding the mature SN-1 was cloned into pPIC9 vector and introduced into P. pastoris. A large amount of pure recombinant SN-1 (approximately 40 mg/1L culture) was obtained from a fed-batch fermentation culture after purification with a cation exchange column followed by RP-HPLC. The identity of the recombinant SN-1 was verified by MALDI-TOF MS, CD and (1)H NMR experiments. All these data strongly indicated that the recombinant SN-1 peptide had a folding with six disulfide bonds that was identical to the native SN-1. Our findings showed that SN-1 exhibited strong antimicrobial activity against test microorganisms and produced very weak hemolysis of mammalian erythrocytes. The mechanism of its antimicrobial action against Escherichia coli was investigated by both outer membrane permeability assay and cytoplasmic membrane depolarization assay. These assays demonstrated that SN-1 is a membrane-active antimicrobial peptide which can disrupt both outer and cytoplasmic membrane integrity. This is the first report on the recombinant expression and purification of a fully active SN-1 in P. pastoris. Copyright © 2016 Elsevier Inc. All rights reserved.

Influence of the layer parameters on the performance of the CdTe solar cells

NASA Astrophysics Data System (ADS)

Haddout, Assiya; Raidou, Abderrahim; Fahoume, Mounir

2018-03-01

Influence of the layer parameters on the performances of the CdTe solar cells is analyzed by SCAPS-1D. The ZnO: Al film shows a high efficiency than SnO2:F. Moreover, the thinner window layer and lower defect density of CdS films are the factor in the enhancement of the short-circuit current density. As well, to increase the open-circuit voltage, the responsible factors are low defect density of the absorbing layer CdTe and high metal work function. For the low cost of cell production, ultrathin film CdTe cells are used with a back surface field (BSF) between CdTe and back contact, such as PbTe. Further, the simulation results show that the conversion efficiency of 19.28% can be obtained for the cell with 1-μm-thick CdTe, 0.1-μm-thick PbTe and 30-nm-thick CdS.

Structure analysis for hole-nuclei close to 132Sn by a large-scale shell-model calculation

NASA Astrophysics Data System (ADS)

Wang, Han-Kui; Sun, Yang; Jin, Hua; Kaneko, Kazunari; Tazaki, Shigeru

2013-11-01

The structure of neutron-rich nuclei with a few holes in respect of the doubly magic nucleus 132Sn is investigated by means of large-scale shell-model calculations. For a considerably large model space, including orbitals allowing both neutron and proton core excitations, an effective interaction for the extended pairing-plus-quadrupole model with monopole corrections is tested through detailed comparison between the calculation and experimental data. By using the experimental energy of the core-excited 21/2+ level in 131In as a benchmark, monopole corrections are determined that describe the size of the neutron N=82 shell gap. The level spectra, up to 5 MeV of excitation in 131In, 131Sn, 130In, 130Cd, and 130Sn, are well described and clearly explained by couplings of single-hole orbitals and by core excitations.

Metal and hydrocarbon behavior in sediments from Brazilian shallow waters drilling activities using nonaqueous drilling fluids (NAFs).

PubMed

do Carmo R Peralba, Maria; Pozebon, Dirce; dos Santos, João H Z; Maia, Sandra M; Pizzolato, Tânia M; Cioccari, Giovani; Barrionuevo, Simone

2010-08-01

The impact of drilling oil activities in the Brazilian Bonito Field/Campos Basin (Rio de Janeiro) shell drilling (300 m) using nonaqueous fluids (NAFs) was investigated with respect to Al, Fe, Mn, Ba, Co, Pb, Cu, As, Hg, Cr, Ni, Zn, Cd, V, and aliphatic and polynuclear aromatic hydrocarbons concentrations in the sediment. Sampling took place in three different times during approximately 33 months. For the metals Al, As, Co, Cr, Cu, Cd, Fe, Ni, Mn, V, and Zn, no significant variation was observed after drilling activities in most of the stations. However, an increase was found in Ba concentration--due to the drilling activity--without return to the levels found 22 months after drilling. High Ba contents was already detected prior to well drilling, probably due to drilling activities in other wells nearby. Hydrocarbon contents also suggest previous anthropogenic activities. Aliphatic hydrocarbon contents were in the range usually reported in other drilling sites. The same behavior was observed in the case of polyaromatic hydrocarbons. Nevertheless, the n-alkane concentration increased sharply after drilling, returning almost to predrilling levels 22 months after drilling activities.

Anthropogenic metal enrichment of snow and soil in north-eastern European Russia.

PubMed

Walker, T R; Young, S D; Crittenden, P D; Zhang, H

2003-01-01

Trace metal composition of winter snowpack, snow-melt filter residues and top-soil samples were determined along three transects through industrial towns in the Usa basin, North-East Russia: Inta, Usinsk and Vorkuta. Snow was analysed for Ag, Al, As, Ba, Cd, Co, Cr, Cu, Mn, Ni, Pb, Sr and Zn using ICP-MS (Ca and K by F-AAS for Vorkuta only), pH and acidity/alkalinity. Filter residues were analysed for: Al, Ba, Ca, Cd, Cu, K, Mg, Mn, Ni, Pb, Sr and Zn using F-AAS and GF-AAS; top-soil samples were analysed for Ba, Cu, Mg, Mn, Na, Ni, Pb, Sr, Zn using F-AAS. Results indicate elevated concentrations of elements associated with alkaline combustion ash around the coal mining towns of Vorkuta and Inta. There is little evidence of deposition around the gas and oil town of Usinsk. Atmospheric deposition in the vicinity of Vorkuta, and to a lesser extent Inta, added significantly to the soil contaminant loading as a result of ash fallout. Acid deposition was associated with pristine areas whereas alkaline combustion ash near to emission sources more than compensated for the acidity caused by SO2.

Dependences of the density of M 1- x R x F2 + x and R 1- y M y F3- y single crystals ( M = Ca, Sr, Ba, Cd, Pb; R means rare earth elements) on composition

NASA Astrophysics Data System (ADS)

Sorokin, N. I.; Krivandina, E. A.; Zhmurova, Z. I.

2013-11-01

The density of single crystals of nonstoichiometric phases Ba1 - x La x F2 + x (0 ≤ x ≤ 0.5) and Sr0.8La0.2 - x Lu x F2.2 (0 ≤ x ≤ 0.2) with the fluorite (CaF2) structure type and R 1 - y Sr y F3 - y ( R = Pr, Nd; 0 ≤ y ≤ 0.15) with the tysonite (LaF3) structure type has been measured. Single crystals were grown from a melt by the Bridgman method. The measured concentration dependences of single crystal density are linear. The interstitial and vacancy models of defect formation in the fluorite and tysonite phases, respectively, are confirmed. To implement the composition control of single crystals of superionic conductors M 1 - x R x F2 + x and R 1 - y M y F3 - y in practice, calibration graphs of X-ray density in the MF2- RF3 systems ( M = Ca, Sr, Ba, Cd, Pb; R = La-Lu, Y) are plotted.

Mesenchymal stromal cells (MSCs) induce ex vivo proliferation and erythroid commitment of cord blood haematopoietic stem cells (CB-CD34+ cells)

PubMed Central

Perucca, Simone; Di Palma, Andrea; Piccaluga, Pier Paolo; Gemelli, Claudia; Zoratti, Elisa; Bassi, Giulio; Giacopuzzi, Edoardo; Lojacono, Andrea; Borsani, Giuseppe; Tagliafico, Enrico; Scupoli, Maria Teresa; Bernardi, Simona; Zanaglio, Camilla; Cattina, Federica; Cancelli, Valeria; Malagola, Michele; Krampera, Mauro; Marini, Mirella; Almici, Camillo; Ferrari, Sergio; Russo, Domenico

2017-01-01

A human bone marrow-derived mesenchymal stromal cell (MSCs) and cord blood-derived CD34+ stem cell co-culture system was set up in order to evaluate the proliferative and differentiative effects induced by MSCs on CD34+ stem cells, and the reciprocal influences on gene expression profiles. After 10 days of co-culture, non-adherent (SN-fraction) and adherent (AD-fraction) CD34+ stem cells were collected and analysed separately. In the presence of MSCs, a significant increase in CD34+ cell number was observed (fold increase = 14.68), mostly in the SN-fraction (fold increase = 13.20). This was combined with a significant increase in CD34+ cell differentiation towards the BFU-E colonies and with a decrease in the CFU-GM. These observations were confirmed by microarray analysis. Through gene set enrichment analysis (GSEA), we noted a significant enrichment in genes involved in heme metabolism (e.g. LAMP2, CLCN3, BMP2K), mitotic spindle formation and proliferation (e.g. PALLD, SOS1, CCNA1) and TGF-beta signalling (e.g. ID1) and a down-modulation of genes participating in myeloid and lymphoid differentiation (e.g. PCGF2) in the co-cultured CD34+ stem cells. On the other hand, a significant enrichment in genes involved in oxygen-level response (e.g. TNFAIP3, SLC2A3, KLF6) and angiogenesis (e.g. VEGFA, IGF1, ID1) was found in the co-cultured MSCs. Taken together, our results suggest that MSCs can exert a priming effect on CD34+ stem cells, regulating their proliferation and erythroid differentiation. In turn, CD34+ stem cells seem to be able to polarise the BM-niche towards the vascular compartment by modulating molecular pathways related to hypoxia and angiogenesis. PMID:28231331

Zircon and cassiterite U-Pb ages, petrogeochemistry and metallogenesis of Sn deposits in the Sibao area, northern Guangxi: constraints on the neoproterozoic granitic magmatism and related Sn mineralization in the western Jiangnan Orogen, South China

NASA Astrophysics Data System (ADS)

Chen, Lei; Wang, Zongqi; Yan, Zhen; Gong, Jianghua; Ma, Shouxian

2018-01-01

A number of Sn deposits associated with Neoproterozoic granites are located in the western Jiangnan Orogen of northern Guangxi. The distribution of Sn mineralization is controlled by faults occurring within and around the Neoproterozoic granites. The hydrothermal alteration and mineralization of these Sn deposits exhibit zoning from the granite to the wall rock. The laser ablation inductively coupled plasma-mass spectrometry (LA-ICP-MS) U-Pb ages of the cassiterite and zircon from ore-bearing granite in the Menggongshan Sn deposit are 829 ± 19 Ma and 822 ± 4 Ma, respectively, indicating that the Sn mineralization and granites formed in the Neoproterozoic and can considered to be products of coeval magmatic and hydrothermal activities. The ore-bearing granite and Neoproterozoic granites in northern Guangxi are high-K, calc-alkaline, peraluminous, S-type granites that are depleted in Nb, Ti, Sr and Ba and highly enriched in Rb, U and Pb. All the granites show steep fractionated light rare earth element (LREE) and flat heavy rare earth element (HREE) patterns, with strongly negative Eu anomalies. The ɛHf(t) values of the ore-bearing granite vary from - 9.0 to - 1.7, with an average value of - 4.1. Additionally, the ore-bearing granite exhibits low oxygen fugacity values. The magmatic source experienced partial melting during their evolution, and the source was dominated by recycled heterogeneous continental crustal materials. Our evidence confirms that the Neoproterozoic granites in northern Guangxi formed in a collisional tectonic setting. The collision between the Cathaysia and Yangtze blocks or between the Sibao arc (Jiangnan arc) and the Yangtze Block caused asthenospheric upwelling, leading to partial melting and recycling of the crust, forming the peraluminous S-type granites in the Neoproterozoic. The Sn mineralization has a close genetic relationship with the Neoproterozoic granite. The highly differentiated, peraluminous, B-enriched, crustally derived Neoproterozoic granites provided the heat source and ore-forming material for the Sn mineralization. Furthermore, the low oxygen fugacity of these Neoproterozoic granites also favoured the Sn mineralization.

CD36 Modulates Fasting and Preabsorptive Hormone and Bile Acid Levels.

PubMed

Shibao, Cyndya A; Celedonio, Jorge E; Tamboli, Robyn; Sidani, Reem; Love-Gregory, Latisha; Pietka, Terri; Xiong, Yanhua; Wei, Yan; Abumrad, Naji N; Abumrad, Nada A; Flynn, Charles Robb

2018-05-01

Abnormal fatty acid (FA) metabolism contributes to diabetes and cardiovascular disease. The FA receptor CD36 has been linked to risk of metabolic syndrome. In rodents CD36 regulates various aspects of fat metabolism, but whether it has similar actions in humans is unknown. We examined the impact of a coding single-nucleotide polymorphism in CD36 on postprandial hormone and bile acid (BA) responses. To examine whether the minor allele (G) of coding CD36 variant rs3211938 (G/T), which reduces CD36 level by ∼50%, influences hormonal responses to a high-fat meal (HFM). Obese African American (AA) women carriers of the G allele of rs3211938 (G/T) and weight-matched noncarriers (T/T) were studied before and after a HFM. Two-center study. Obese AA women. HFM. Early preabsorptive responses (10 minutes) and extended excursions in plasma hormones [C-peptide, insulin, incretins, ghrelin fibroblast growth factor (FGF)19, FGF21], BAs, and serum lipoproteins (chylomicrons, very-low-density lipoprotein) were determined. At fasting, G-allele carriers had significantly reduced cholesterol and glycodeoxycholic acid and consistent but nonsignificant reductions of serum lipoproteins. Levels of GLP-1 and pancreatic polypeptide (PP) were reduced 60% to 70% and those of total BAs were 1.8-fold higher. After the meal, G-allele carriers displayed attenuated early (-10 to 10 minute) responses in insulin, C-peptide, GLP-1, gastric inhibitory peptide, and PP. BAs exhibited divergent trends in G allele carriers vs noncarriers concomitant with differential FGF19 responses. CD36 plays an important role in the preabsorptive hormone and BA responses that coordinate brain and gut regulation of energy metabolism.

Structural, thermal and optical properties of TeO2-ZnO-CdO-BaO glasses doped with VO(2+).

PubMed

Sreenivasulu, V; Upender, G; Chandra Mouli, V; Prasad, M

2015-09-05

The glasses with composition 64TeO2-15ZnO-(20-x)CdO-xBaO-1V2O5 (0⩽x⩽20 mol%) were prepared by conventional melt quenching technique. X-ray diffraction analysis was used to confirm the amorphous nature of the glasses. The optical absorption studies revealed that the cut-off wavelength (λα) decreases while optical band gap energy (Eopt) and Urbach energy (ΔE) values increase with an increase of BaO content. Refractive index (n) evaluated from Eopt was found to decrease with an increase of BaO content. The physical parameters such as density (ρ), molar volume (Vm), oxygen packing density (OPD), optical basicity (Λ), molar refraction (Rm), and metallization criterion (M) evaluated and discussed. FTIR and Raman spectroscopic studies showed that the glass network consists of TeO4, TeO3+1/TeO3 and ZnO4 units as basic structural units. The glass transition temperature (Tg) of glass sample, onset crystallization temperature (To) and thermal stability ΔT were determined from Differential Scanning Calorimetry (DSC). Using electron paramagnetic resonance (EPR) spectra of vanadium glasses the spin Hamiltonian parameters and dipolar hyperfine coupling parameters of VO(2+) ions were calculated. It was found that V(4+) ions in these glasses exist as VO(2+) in octahedral coordination with a tetragonal distortion and have C4V symmetry with ground state dxy. Tetragonality (Δg∥/Δg⊥) of vanadium ion sites exhibited non-linear variation with BaO content. Copyright © 2015 Elsevier B.V. All rights reserved.

Solid-state NMR calculations for metal oxides and gallates: Shielding and quadrupolar parameters for perovskites and related phases

NASA Astrophysics Data System (ADS)

Middlemiss, Derek S.; Blanc, Frédéric; Pickard, Chris J.; Grey, Clare P.

2010-05-01

The NMR parameters obtained from solid-state DFT calculations within the GIPAW approach for 17O- and 69/71Ga-sites in a range of predominantly oxide-based (group II monoxides, SrTiO 3, BaZrO 3, BaSnO 3, BaTiO 3, LaAlO 3, LaGaO 3, SrZrO 3, MgSiO 3 and Ba 2In 2O 5), and gallate (α- and β-Ga 2O 3, LiGaO 2, NaGaO 2, GaPO 4 and LaGaO 3) materials are compared with experimental values, with a view to the future application of a similar approach to doped phases of interest as candidate intermediate temperature solid oxide fuel cell (ITSOFC) electrolytes. Isotropic and anisotropic chemical shift parameters, quadrupolar coupling constants, and associated asymmetries are presented and analyzed. The unusual GaO 5 site occurring in LaGaGe 2O 7 is also fully characterised. In general, it is found that the theoretical results closely track the experimental trends, though some deviations are identified and discussed, particularly in regard to quadrupolar ηQ-values. The high quality of the computed results suggests that this approach can be extended to study more complex and disordered phases.

Materials Data on CdSnF6 (SG:148) by Materials Project

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

Kristin Persson

2014-11-02

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

Microstructural, optical and electrical transport properties of Cd-doped SnO2 nanoparticles

NASA Astrophysics Data System (ADS)

Ahmad, Naseem; Khan, Shakeel; Mohsin Nizam Ansari, Mohd

2018-03-01

We have successfully investigated the structural, optical and dielectric properties of Cd assimilated SnO2 nanoparticles synthesized via very convenient precipitation route. The structural properties were studied by x-ray diffraction method (XRD) and Fourier Transform Infrared (FTIR) Spectroscopy. As-synthesized samples in the form of powder were examined for its morphology and average particle size by Transmission electron microscopy (TEM). The optical properties were studied by diffuse reflectance spectroscopy. Dielectric properties such that complex dielectric constant and ac conductivity were investigated by LCR meter. Average crystallite size calculated by XRD and average particle size obtained from TEM were found to be consistent and below 50 nm for all samples. The optical band gap of as-synthesized powder samples from absorption study was found in the range of 3.76 to 3.97 eV. The grain boundary parameters such that Rgb, Cgb and τ were evaluated using impedance spectroscopy.

Bulk Nuclear Hyperpolarization of Inorganic Solids by Relay from the Surface.

PubMed

Björgvinsdóttir, Snædís; Walder, Brennan J; Pinon, Arthur C; Emsley, Lyndon

2018-06-14

NMR is a method of choice to determine structural and electronic features in inorganic materials, and has been widely used in the past, but its application is severely limited by its low relative sensitivity. We show how the bulk of proton-free inorganic solids can be hyperpolarized with a general strategy using impregnation dynamic nuclear polarization through homonuclear spin diffusion between low-γ nuclei. This is achieved either through direct hyperpolarization or with a pulse cooling cross-polarization method, transferring hyperpolarization from protons to heteronuclei at particle surfaces. We demonstrate a factor of 50 gain in overall sensitivity for the 119 Sn spectrum of powdered SnO 2 , corresponding to an acceleration of a factor >2500 in acquisition times. The method is also shown for 31 P spectra of GaP, 113 Cd spectra of CdTe, and 29 Si spectra of α-quartz.

Real-structure effects: Band gaps of Mg_xZn_{1-x}O, Cd_xZn_{1-x}O, and n-type ZnO from ab-initio calculations

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

Schleife, A; Bechstedt, F

2012-02-15

Many-body perturbation theory is applied to compute the quasiparticle electronic structures and the optical-absorption spectra (including excitonic effects) for several transparent conducting oxides. We discuss HSE+G{sub 0}W{sub 0} results for band structures, fundamental band gaps, and effective electron masses of MgO, ZnO, CdO, SnO{sub 2}, SnO, In{sub 2}O{sub 3}, and SiO{sub 2}. The Bethe-Salpeter equation is solved to account for excitonic effects in the calculation of the frequency-dependent absorption coefficients. We show that the HSE+G{sub 0}W{sub 0} approach and the solution of the Bethe-Salpeter equation are very well-suited to describe the electronic structure and the optical properties of various transparentmore » conducting oxides in good agreement with experiment.« less

Structural and electronic properties of the heterointerfaces for Cu2ZnSnS4 photovoltaic cells: a density-functional theory study.

PubMed

Xiao, W; Wang, J N; Wang, J W; Huang, G J; Cheng, L; Jiang, L J; Wang, L G

2016-04-28

The quaternary compound semiconductor Cu2ZnSnS4 (CZTS) is a promising photovoltaic absorber material for thin-film solar cell applications. Density-functional theory calculations have been performed to investigate the structural and electronic properties of the CdS/CZTS heterointerfaces in CZTS-based cells. We find that CdS favors epitaxial growth on the Cu-Zn plane of CZTS along the direction of [100], which can eliminate the effects of the wrong bonds at the interfaces and enhance the energetic barrier for charge carrier recombination across the interfaces with an increased band gap. The band alignment is calculated for the epitaxial CZTS/CdS heterointerface by employing the HSE06 functional and the results show a type-II band alignment with VBO and CBO values of 0.95 eV and -0.05 eV, respectively. Also, the experimental phenomenon of Zn segregation at CdS/CZTS interfaces is corroborated. Zn segregation can enhance the stability of the heterointerfaces, but damage the solar cell performance by decreasing the band gap when the Zn concentration is sufficiently high. We show that besides the defects and undesired phases in CZTS, the heterointerfaces between the absorption layers (CZTS) and the buffer layer (CdS) can also be an important factor that affects the performance of CZTS cells. The present work provides a theoretical base for engineering the heterointerfaces and achieving better performance of CZTS-based solar cells.

An Explanation for Bends of 1-Dimensional Nanorods

NASA Astrophysics Data System (ADS)

Mukaida, Masashi; Ichinose, Ataru; Mele, Paolo; Mtsumoto, Kaname; Horii, Shigeru; Yoshida, Yutaka

Growth of artificial pinning centers (APCs) in YBa2Cu3O7-J (YBCO) films are discussed. The APCs used in this research are BaZrO3 and BaSnO3 nanorods which are reported by Mele et al. TEM images show these nanorods graduallybend accordinglywith approachingtoasurfaceof films. This featureshowedagrowth patternlikeafirework. Weexplainthe featureofthe nanorodsas follows;Atanearlygrowth stage, filmsgrowinalayerbylayergrowth mode. The surface of the films is flat and very smooth. After the early growth stage, the film surface gradually becomes rough, indicating the film grows in a Stranski-Krastanov growth mode. This roughness was caused by a spiral growth of films with manysteps. At the step of YBCO films, nanorod materials such as BaZrO3 are supplied from one direction. Then, the center of nanorods sifts to the same direction of the step flow. Then, the nanorods bend to the edge of the grains in the films. As a grain in spiral growth had a convex surface, nanorods bent to the direction perpendicular to the grain surface. Finally, nanorods in rough grains form firework structures.

Photorefractive splicing device with double phase conjugate mirror using Sn2P2S6:Sb crystal

NASA Astrophysics Data System (ADS)

Wakayama, Yuta; Okamoto, Atsushi; Shimayabu, Kohei; Kojima, Yasunori; Grabar, Alexander A.

2009-02-01

We develop a splicing device for photonic crystal fibers (PCFs) based on a double phase conjugate mirror (DPCM) using a novel photorefractive (PR) Sn2P2S6:Sb 1.5% crystal. This PR splicer has many attractive characteristics including modal field compensation and the automatic reconfiguration of the optical path. Utilizing a DPCM as the splicer, our device can adapt to misalignments automatically since the incident beams continuously rewrite an index grating which formed in the crystal. By the implementation of the Sn2P2S6:Sb crystal, the response time for the characteristic of dynamic reconfiguration is improved several-hundred-fold compared with conventional materials, e.g. BaTiO3. We demonstrate that the high angular tolerance is provided using the DPCM with the Sn2P2S6:Sb crystal. When the misalignment of the incident angle is from -7° to 8°, the increment of coupling loss is less than 0.6dB. This is several-ten-fold compared with the fusion splicing. We reveal the dependence of the coupling loss on the position of the incident beams and also the dependence of the energy flow on the propagation distance for the first time with the two-dimensional finite-difference beampropagation method. Using our numerical simulation tool, we can visually investigate the beam propagation property considering the influence of the fanning effect in the Sn2P2S6 crystals.

Energetic Materials and Metals Contamination at CFB/ASU Wainwirght, Alberta Phase 1

DTIC Science & Technology

2008-11-01

Edmonton, Alberta). Metals analyzed for this study were silver (Ag), aluminium (Al), arsenic (As), boron (B), barium (Ba), beryllium (Be), bismuth 4...selenium (Se), antimony (Sb), tin (Sn), strontium (Sr), tellurium (Te), titanium (Ti), thallium (Tl), uranium (U), vanadium (V), zinc (Zn), and...mg/kg mg/kg mg/kg Aluminium - 9070 1040 Antimony 40 2 1 Arsenic 12 7 13.6 Barium 2000 177 73.4 Beryllium 8 40 40 Bismuth - 20 20 Boron - 10

The inorganic speciation of tin(II) in aqueous solution

NASA Astrophysics Data System (ADS)

Cigala, Rosalia Maria; Crea, Francesco; De Stefano, Concetta; Lando, Gabriele; Milea, Demetrio; Sammartano, Silvio

2012-06-01

This paper reports new voltammetric measurements on the interactions between tin(II) and the most important natural inorganic ligands, OH-, Cl-, F-, CO32-, SO42- and PO43-. For a better understanding of tin(II) speciation, an analysis is also given of prior data on the same systems from the literature. The formation constants were determined at t = 25 °C in different ionic media and at different ionic strengths, specifically the following: Sn(OH)q (0.1 ⩽ I/mol L-1 ⩽ 1.0 in NaNO3), SnClr and Sn(OH)Cl (0.1 ⩽ I/mol L-1 ⩽ 2.3 in Na(NO3, Cl)), Sn(SO4)r (0.1 ⩽ I/mol L-1 ⩽ 1.6 in Na(NO3, SO4)), SnHqCO3 and SnHqPO4 (0.15 ⩽ I/mol L-1 ⩽ 1.0 in NaNO3), where the subscripts r and q represent the stoichiometric coefficients. Concerning the SnFr species, reliable literature values were considered (0.15 ⩽ I/mol L-1 ⩽ 1.0 in NaClO4). Fifteen voltammetric measurements were performed in synthetic seawater; the total seawater binding ability was evaluated by a model in which synthetic seawater is expressed as a single salt, BA. The formation of species between tin(II) and the anion of the marine salt (A) was also proposed, and the corresponding stability constants at different salinities (5 ⩽ S ⩽ 50) were reported. In addition, studies on the solubility of Sn(OH)2(s) were carried out using voltammetry and light scattering measurements. The "extra-stability" of the mixed species with respect to the parent species was evaluated, in particular for Sn(OH)Cl and the corresponding species involving the anion of the marine salt (A). The dependence of the formation constants on ionic strength was analysed using extended Debye-Hückel and Specific ion Interaction Theory (SIT) type equations. Tin(II) speciation was also evaluated in different natural fluid conditions, where, in all cases, carbonate complexation was predominant, hampering the formation of hydrolytic species throughout the investigated pH range. Moreover, some formation enthalpy changes were calculated for the Sn(OH)+, Sn(OH)2(aq), Sn(OH)2(s), Sn(OH)3-, Sn(OH)22+, Sn(OH)42+, Sn(OH)Cl, SnCl+, SnCl2 and SnCl3- species on the basis of the available literature stability constant values at different temperatures and using the empirical relationships reported in the literature. The ΔH values at t = 25 °C were positive in all cases except for the Sn(OH)2(s) and Sn(OH)3- species, indicating an increase in the stability constant values with increasing temperature. This work represents an advance in the knowledge, understanding and modelling of the inorganic speciation of tin(II) in natural fluids, particularly for solutions containing chloride, fluoride, sulphate, carbonate and phosphate anions.

Syntheses and characterization of one-dimensional alkali metal antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs)

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

Yohannan, Jinu P.; Vidyasagar, Kanamaluru, E-mail: kvsagar@iitm.ac.in

2015-01-15

Three new isostructural quaternary antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs) have been synthesized by using alkali metal thiosulfate flux and structurally characterized by X-ray diffraction. Their structures contain A{sup +} ions around the [Sb{sub 2}Sn{sub 3}S{sub 10}]{sup 2−} chains, which are built from SbS{sub 3} pyramids, SnS{sub 6} octahedra and SnS{sub 4} tetrahedra. Raman and Mössbauer spectroscopic measurements corroborate the oxidation states and coordination environments of Sb(III) and Sn(IV). All three compounds are wide band gap semiconductors. Potassium compound undergoes partial exchange with strontium, cadmium and lead ions. - Graphical abstract: Syntheses, crystal structure, spectroscopic andmore » partial ion-exchange studies of new one-dimensional alkali metal antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs) are described. - Highlights: • Syntheses of new alkali metal antimony(III) thiostannates(IV), A{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} (A=K, Rb, Cs). • Wide band gap semiconductors with one-dimensional structure. • Topotactic partial exchange of K{sup +} ions of K{sub 2}Sb{sub 2}Sn{sub 3}S{sub 10} with Sr{sup 2+}, Cd{sup 2+} and Pb{sup 2+} ions.« less

Environmental characterisation of sewage sludge/paper ash-based composites in relation to their possible use in civil engineering.

PubMed

Mladenovič, Ana; Hamler, Sandra; Zupančič, Nina

2017-01-01

The environmental acceptability of geotechnical composites made of treated municipal sewage sludge (SwS) and paper ash (PA) after two different curing periods has been investigated. The mineral composition of such composites, including their content of major oxides, is mainly influenced by the PA. The content of potentially toxic elements (PTEs) in the initial materials and in the composites varies considerably. In the SwS the Ba, Cd, Cr, Cu, Hg, Ni and Zn contents are above the legally permitted limits. The PTE content of PA are lower, but still somewhat above the permitted values for Ba and Cu. Mixing these two materials together resulted in a decrease in the PTE, but the Ba, Cu and Zn contents are still too high for agricultural application. However, leachates from composites that had been cured for 28 days are highly alkaline, and the As, Ba, Cd, Cr, Hg, Mo, Ni, Pb and Zn contents in them are well below the permitted values. The Cu contents (2.4 to 5.4 mg/kg) are above the permitted limit for inert material, but inside the range for non-hazardous material. In a leachate of composite which was prepared with fresh PA and a lower PA to SwS ratio, the Cu content was 1.4 mg/kg, since fresh PA is more reactive and therefore has a higher ability to immobilise Cu. Therefore, such mixtures can be utilised for covers and liners for sanitary landfills.

Stellar laboratories. III. New Ba v, Ba vi, and Ba vii oscillator strengths and the barium abundance in the hot white dwarfs G191-B2B and RE 0503-289

NASA Astrophysics Data System (ADS)

Rauch, T.; Werner, K.; Quinet, P.; Kruk, J. W.

2014-06-01

Context. For the spectral analysis of high-resolution and high-signal-to-noise (S/N) spectra of hot stars, state-of-the-art non-local thermodynamic equilibrium (NLTE) model atmospheres are mandatory. These are strongly dependent on the reliability of the atomic data that is used for their calculation. Aims: Reliable Ba v-vii oscillator strengths are used to identify Ba lines in the spectra of the DA-type white dwarf G191-B2B and the DO-type white dwarf RE 0503-289 and to determine their photospheric Ba abundances. Methods: We newly calculated Ba v-vii oscillator strengths to consider their radiative and collisional bound-bound transitions in detail in our NLTE stellar-atmosphere models for the analysis of Ba lines exhibited in high-resolution and high-S/N UV observations of G191-B2B and RE 0503-289. Results: For the first time, we identified highly ionized Ba in the spectra of hot white dwarfs. We detected Ba vi and Ba vii lines in the Far Ultraviolet Spectroscopic Explorer (FUSE) spectrum of RE 0503-289. The Ba vi/Ba vii ionization equilibrium is well reproduced with the previously determined effective temperature of 70 000 K and surface gravity of log g = 7.5. The Ba abundance is 3.5 ± 0.5 × 10-4 (mass fraction, about 23 000 times the solar value). In the FUSE spectrum of G191-B2B, we identified the strongest Ba vii line (at 993.41 Å) only, and determined a Ba abundance of 4.0 ± 0.5 × 10-6 (about 265 times solar). Conclusions: Reliable measurements and calculations of atomic data are a pre-requisite for stellar-atmosphere modeling. Observed Ba vi-vii line profiles in two white dwarfs' (G191-B2B and RE 0503-289) far-ultraviolet spectra were well reproduced with our newly calculated oscillator strengths. This allowed to determine the photospheric Ba abundance of these two stars precisely. Based on observations with the NASA/ESA Hubble Space Telescope, obtained at the Space Telescope Science Institute, which is operated by the Association of Universities for Research in Astronomy, Inc., under NASA contract NAS5-26666.Based on observations made with the NASA-CNES-CSA Far Ultraviolet Spectroscopic Explorer.Tables 1-3 are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/566/A10

Effects of metal salts on the oral production of volatile sulfur-containing compounds (VSC).

PubMed

Young, A; Jonski, G; Rölla, G; Wåler, S M

2001-08-01

Halitosis, mainly caused by bacteria located on the posterior dorsum of the tongue and in periodontal pockets, is due to formation of volatile sulfur compounds (VSC). The hypothesis to be tested was that the affinity of a metal for sulfur determines its anti-VSC activity. Clinical tests were carried out on 12 subjects who rinsed with cysteine to induce halitosis (baseline) before rinsing with 7.34 mM ZnCl2, SnF2 and CuCl2. Mouth air VSC analyses were repeated following cysteine rinses at 1 h, 2 h and 3 h using a gas chromatograph. In vitro experiments tested toxic metals Hg2+, Pb2+ and Cd2+. 10-microl aliquots of metal salts were added to 1-ml aliquots of human whole saliva from 30 subjects. Samples were incubated overnight at 37oC and saliva headspace was analyzed for VSC in a gas chromatograph. Cu2+>Sn2+>Zn2+ (supports hypothesis). Zn2+ had significantly less anti-VSC effect compared with Cu2+ and Sn2+ at 1, 2 and 3 h. In vitro results indicated that Hg2+, Cu2+ and Cd2+ had close to 100% anti-VSC effect, and that Pb2+ was less effective and Cd2+ more effective than expected in inhibiting VSC. Apart from Hg2+ and Cu2+, the metals had a significantly greater effect on H2S than on CH3SH. Cu2+ and Hg2+ have well-known antibacterial activity and may presumably also operate by this mechanism.

Atmospheric depositions of natural and anthropogenic trace elements on the Guliya ice cap (northwestern Tibetan Plateau) during the last 340 years

NASA Astrophysics Data System (ADS)

Sierra-Hernández, M. Roxana; Gabrielli, Paolo; Beaudon, Emilie; Wegner, Anna; Thompson, Lonnie G.

2018-03-01

A continuous record of 29 trace elements (TEs) has been constructed between 1650 and 1991 CE (Common Era) from an ice core retrieved in 1992 from the Guliya ice cap, on the northwestern Tibetan Plateau. Enrichments of Pb, Cd, Zn and Sb were detected during the second half of the 19th century and the first half of the 20th century (∼1850-1950) while enrichments of Sn (1965-1991), Cd and Pb (1975-1991) were detected during the second half of the 20th century. The EFs increased significantly by 20% for Cd and Sb, and by 10% for Pb and Zn during 1850-1950 relative to the pre-1850s. Comparisons of the Guliya TEs data with other ice core-derived and production/consumption data suggest that Northern Hemisphere coal combustion (primarily in Western Europe) is the likely source of Pb, Cd, Zn, and Sb during the 1850-1950 period. Coal combustion in Europe declined as oil replaced coal as the primary energy source. The European shift from coal to oil may have contributed to the observed Sn enrichment in ∼1965 (60% EF increase in 1975-1991), although regional fossil fuel combustion (coal and leaded gasoline) from western China, Central Asia, and South Asia (India, Nepal), as well as Sn mining/smelting in Central Asia, may also be possible sources. The post-1975 Cd and Pb enrichments (40% and 20% EF increase respectively in 1975-1991) may reflect emissions from phosphate fertilizers, fossil fuel combustion, and/or non-ferrous metal production, from western China, Central Asia, and/or South Asia. Leaded gasoline is likely to have also contributed to the post-1975 Pb enrichment observed in this record. The results strongly suggest that the Guliya ice cap has recorded long-distance emissions from coal combustion since the 1850s with more recent contributions from regional agriculture, mining, and/or fossil fuel combustion. This new Guliya ice core record of TEs fills a geographical gap in the reconstruction of the pollution history of this region that extends well beyond modern instrumental records.

A bifacial quantum dot-sensitized solar cell with all-cadmium sulfide photoanode

NASA Astrophysics Data System (ADS)

Ma, Chunqing; Tang, Qunwei; Liu, Danyang; Zhao, Zhiyuan; He, Benlin; Chen, Haiyan; Yu, Liangmin

2015-02-01

Pursuit of a high power conversion efficiency and reduction of electricity-generation cost has been a persistent objective for quantum dot-sensitized solar cells (QDSSCs). We present here the fabrication of a QDSSC comprising a nanoflower-structured CdS anode, a liquid electrolyte having S2-/Sn2- redox couples, and a transparent CoSe counter electrode. Nanoflower-structured CdS anodes are prepared by a successive ionic layer adsorption and reaction (SILAR) method and subsequently hydrothermal strategy free of any surfactant or template. The CdS nanoparticles synthesized by a SILAR method act as "seed crystal" for growth of CdS nanoflowers. The average electron lifetime is markedly elevated in nanoflower-structured CdS anode in comparison with CdS nanoparticle or nanoporous CdS microsphere anode. Herein, we study the effect of synthesis method on CdS morphology and solar cell's photovoltaic performance, showing a power conversion efficiency of 1.67% and 1.17% for nanoflower-structured CdS QDSSC under front and rear irradiations, respectively.

Variations in time and space of trace metal aerosol concentrations in urban areas and their surroundings

NASA Astrophysics Data System (ADS)

Moreno, T.; Querol, X.; Alastuey, A.; Reche, C.; Cusack, M.; Amato, F.; Pandolfi, M.; Pey, J.; Richard, A.; Prévôt, A. S. H.; Furger, M.; Gibbons, W.

2011-05-01

Using an unprecedentedly large geochemical database, we compare temporal and spatial variations in inhalable trace metal background concentrations in a major city (Barcelona, Spain) and at a nearby mountainous site (Montseny) affected by the urban plume. Both sites are contaminated by technogenic metals, with V, Pb, Cu, Zn, Mn, Sn, Bi, Sb and Cd all showing upper continental crust (UCC) normalised values >1 in broadly increasing order. The highest metal concentrations usually occur during winter at Barcelona and summer in Montseny. This seasonal difference was especially marked at the remote mountain site in several elements such as Ti and Rare Earth Elements, which recorded campaign maxima, exceeding PM10 concentrations seen in Barcelona. The most common metals were Zn, Ti, Cu, Mn, Pb and V. Both V and Ni show highest concentrations in summer, and preferentially fractionate into the finest PM sizes (PM1/PM10 > 0.5) especially in Barcelona, this being attributed to regionally dispersed contamination from fuel oil combustion point sources. Within the city, hourly metal concentrations are controlled either by traffic (rush hour double peak for Cu, Sb, Sn, Ba) or industrial plumes (morning peak of Ni, Mn, Cr generated outside the city overnight), whereas at Montseny metal concentrations rise during the morning to a single, prolonged afternoon peak as contaminated air transported by the sea breeze moves into the mountains. Our exceptional database, which includes hourly measurements of chemical concentrations, demonstrates in more detail than previous studies the spatial and temporal variability of urban pollution by trace metals in a given city. Technogenic metalliferous aerosols are commonly fine in size and therefore potentially bioavailable, emphasising the case for basing urban background PM characterisation not only on physical parameters such as mass but also on sample chemistry and with special emphasis on trace metal content.

Variations in time and space of trace metal aerosol concentrations in urban areas and their surroundings

NASA Astrophysics Data System (ADS)

Moreno, T.; Querol, X.; Alastuey, A.; Reche, C.; Cusack, M.; Amato, F.; Pandolfi, M.; Pey, J.; Richard, A.; Prévôt, A. S. H.; Furger, M.; Gibbons, W.

2011-09-01

Using an unprecedentedly large geochemical database, we compare temporal and spatial variations in inhalable trace metal background concentrations in a major city (Barcelona, Spain) and at a nearby mountainous site (Montseny) affected by the urban plume. Both sites are contaminated by technogenic metals, with V, Pb, Cu, Zn, Mn, Sn, Bi, Sb and Cd all showing upper continental crust (UCC) normalised values >1 in broadly increasing order. The highest metal concentrations usually occur during winter at Barcelona and summer in Montseny. This seasonal difference was especially marked at the remote mountain site in several elements such as Ti and Rare Earth Elements, which recorded campaign maxima, exceeding PM10 concentrations seen in Barcelona. The most common metals were Zn, Ti, Cu, Mn, Pb and V. Both V and Ni show highest concentrations in summer, and preferentially fractionate into the finest PM sizes (PM1/PM10 > 0.5) especially in Barcelona, this being attributed to regionally dispersed contamination from fuel oil combustion point sources. Within the city, hourly metal concentrations are controlled either by traffic (rush hour double peak for Cu, Sb, Sn, Ba) or industrial plumes (morning peak of Ni, Mn, Cr generated outside the city overnight), whereas at Montseny metal concentrations rise during the morning to a single, prolonged afternoon peak as contaminated air transported by the sea breeze moves into the mountains. Our exceptional database, which includes hourly measurements of chemical concentrations, demonstrates in more detail than previous studies the spatial and temporal variability of urban pollution by trace metals in a given city. Technogenic metalliferous aerosols are commonly fine in size and therefore potentially bioavailable, emphasising the case for basing urban background PM characterisation not only on physical parameters such as mass but also on sample chemistry and with special emphasis on trace metal content.

Heavy metal deposition fluxes affecting an Atlantic coastal area in the southwest of Spain

NASA Astrophysics Data System (ADS)

Castillo, Sonia; de la Rosa, Jesús D.; Sánchez de la Campa, Ana M.; González-Castanedo, Yolanda; Fernández-Camacho, Rocío

2013-10-01

The present study seeks to estimate the impact of industrial emissions and harbour activities on total atmospheric deposition in an Atlantic coastal area in the southwest of the Iberian Peninsula. Three large industrial estates and a busy harbour have a notable influence on air quality in the city of Huelva and the surrounding area. The study is based on a geochemical characterization of trace elements deposited (soluble and insoluble fractions) in samples collected at a rate of 15 days/sample from June 2008 to May 2011 in three sampling sites, one in the principal industrial belt, another in the city of Huelva, and the last, 56 km outside Huelva city in an area of high ecological interest. The industrial emissions emitted by the Huelva industrial belt exert a notable influence on atmospheric deposition. Major deposition fluxes were registered for Fe, Cu, V, Ni, P, Pb, As, Sn, Sb, Se and Bi, principally in the insoluble fraction, derived from industrial funnel emissions and from harbour activities. Metals such as Mn, Ni, Cu and Zn, and elements such as P also have a significant presence in the soluble fraction converting them into potentially bio-available nutrients for the living organism in the ocean. A principal component analysis certifies three common emissions sources in the area: 1) a mineral factor composed mainly of elements derived from silicate minerals mixed with certain anthropogenic species (Mg, K, Sr, Na, Al, Ba, LREE, Li, Mn, HREE, Ti, Fe, Se, V, SO-, Ni, Ca and P); 2) an industrial factor composed of the same trace elements in the three areas (Sb, Mo, Bi, As, Pb, Sn and Cd) thus confirming the impact of the emissions from the Huelva industrial belt on remote areas; and 3) a marine factor composed of Na, Cl, Mg and SO.

Variation of photoluminescence features in Pr{sup 3+} doped lithium-fluoro-borate glass by changing different modifier oxides (MgO, CaO, CdO and PbO)-Judd-Ofelt theory application

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

Balakrishna, A.; Rajesh, D.; Babu, S.

2015-06-24

Pr{sup 3+} (1.0 mol%) doped different modifier oxide based six lithium-fluoro-borate glasses with chemical composition of 49Li{sub 2}B{sub 4}O{sub 7}-20BaF{sub 2}-10NaF-20MO (where M= Mg, Ca, Cd and Pb), 49Li{sub 2}B{sub 4}O{sub 7}-20BaF{sub 2}-10NaF-10MgO-10CaO and 49Li{sub 2}B{sub 4}O{sub 7}-20BaF{sub 2}-10NaF-10CdO-10PbO were prepared by conventional melt quenching technique. Judd-Ofelt theory has been applied for evaluating the Judd-Ofelt intensity parameters for Pr{sup 3+} ion in these glass compositions and are in turn to used to predict radiative properties such as radiative transition probabilities (A{sub T}), branching ratios (β) and stimulated emission cross-section (σ{sub P}). Stimulated emission cross-section (σ{sub p}) of prominent emission transitions,more » {sup 3}P{sub 0}→{sup 3}H{sub 4} and {sup 1}D{sub 2}→{sup 3}H{sub 4} of Pr{sup 3+} ion in all lithium-fluoro-borate glasses were calculated. Among all the emission transitions, {sup 3}P{sub 0}→{sup 3}H{sub 4} posseses higher branching ratio and stimulated emission cross-section in Mg-Ca glass, which leads to the best laser excitation at 487 nm wavelength.« less

New Materials for Chalcogenide Based Solar Cells

NASA Astrophysics Data System (ADS)

Tosun, Banu Selin

Thin film solar cells based on copper indium gallium diselenide (CIGS) have achieved efficiencies exceeding 20 %. The p-n junction in these solar cells is formed between a p-type CIGS absorber layer and a composite n-type film that consists of a 50-100 nm thin n-type CdS followed by a 50-200 nm thin n-type ZnO. This dissertation focuses on developing materials for replacing CdS and ZnO films to improve the damp-heat stability of the solar cells and for minimizing the use of Cd. Specifically, I demonstrate a new CIGS solar cell with better damp heat stability wherein the ZnO layer is replaced with SnO2. The efficiency of solar cells made with SnO2 decreased less than 5 % after 120 hours at 85 °C and 85 % relative humidity while the efficiency of solar cells made with ZnO declined by more than 70 %. Moreover, I showed that a SnO2 film deposited on top of completed CIGS solar cells significantly increased the device lifetime by forming a barrier against water diffusion. Semicrystalline SnO2 films deposited at room temperature had nanocrystals embedded in an amorphous matrix, which resulted in films without grain boundaries. These films exhibited better damp-heat stability than ZnO and crystalline SnO2 films deposited at higher temperature and this difference is attributed to the lack of grain boundary water diffusion. In addition, I studied CBD of Zn1-xCdxS from aqueous solutions of thiourea, ethylenediaminetetraacetic acid and zinc and cadmium sulfate. I demonstrated that films with varying composition (x) can be deposited through CBD and studied the structure and composition variation along the films' thickness. However, this traditional chemical bath deposition (CBD) approach heats the entire solution and wastes most of the chemicals by homogenous particle formation. To overcome this problem, I designed and developed a continuous-flow CBD approach to utilize the chemicals efficiently and to eliminate homogenous particle formation. Only the substrate is heated to the deposition temperature while the CBD solution is rapidly circulated between the bath and a chilled reservoir. We have demonstrated Zn1-x CdxS films for a variety of (x) values, with and without varying (x) across film thickness.

Ligand reprogramming in dinuclear helicate complexes: a consequence of allosteric or electrostatic effects?

PubMed

Jeffery, John C; Rice, Craig R; Harding, Lindsay P; Baylies, Christian J; Riis-Johannessen, Thomas

2007-01-01

The ditopic ligand 6,6'-bis(4-methylthiazol-2-yl)-3,3'-([18]crown-6)-2,2'-bipyridine (L(1)) contains both a potentially tetradentate pyridyl-thiazole (py-tz) N-donor chain and an additional "external" crown ether binding site which spans the central 2,2'-bipyridine unit. In polar solvents (MeCN, MeNO(2)) this ligand forms complexes with Zn(II), Cd(II), Hg(II) and Cu(I) ions via coordination of the N donors to the metal ion. Reaction with both Hg(II) and Cu(I) ions results in the self-assembly of dinuclear double-stranded helicate complexes. The ligands are partitioned by rotation about the central py--py bond, such that each can coordinate to both metals as a bis-bidentate donor ligand. With Zn(II) ions a single-stranded mononuclear species is formed in which one ligand coordinates the metal ion in a planar tetradentate fashion. Reaction with Cd(II) ions gives rise to an equilibrium between both the dinuclear double-stranded helicate and the mononuclear species. These complexes can further coordinate s-block metal cations via the remote crown ether O-donor domains; a consequence of which are some remarkable changes in the binding modes of the N-donor domains. Reaction of the Hg(II)- or Cd(II)-containing helicate with either Ba(2+) or Sr(2+) ions effectively reprogrammes the ligand to form only the single-stranded heterobinuclear complexes [MM'(L(1))](4+) (M=Hg(II), Cd(II); M'=Ba(2+), Sr(2+)), where the transition and s-block cations reside in the N- and O-donor sites, respectively. In contrast, the same ions have only a minor structural impact on the Zn(II) species, which already exists as a single-stranded mononuclear complex. Similar reactions with the Cd(II) system result in a shift in equilibrium towards the single-stranded species, the extent of which depends on the size and charge of the s-block cation in question. Reaction of the dicopper(I) double-stranded helicate with Ba(2+) shows that the dinuclear structure still remains intact but the pitch length is significantly increased.

Effect of hemin, baicalein and heme oxygenase-1 (HO-1) enzyme activity inhibitors on Cd-induced accumulation of HO-1, HSPs and aggresome-like structures in Xenopus kidney epithelial cells.

PubMed

Campbell, James H; Heikkila, John J

2018-04-23

Cadmium is a highly toxic environmental pollutant that can cause many adverse effects including cancer, neurological disease and kidney damage. Aquatic amphibians are particularly susceptible to this toxicant as it was shown to cause developmental abnormalities and genotoxic effects. In mammalian cells, the accumulation of heme oxygenase-1 (HO-1), which catalyzes the breakdown of heme into CO, free iron and biliverdin, was reported to protect cells against potentially lethal concentrations of CdCl 2 . In the present study, CdCl 2 treatment of A6 kidney epithelial cells, derived from the frog, Xenopus laevis, induced the accumulation of HO-1, heat shock protein 70 (HSP70) and HSP30 as well as an increase in the production of aggregated protein and aggresome-like structures. Treatment of cells with inhibitors of HO-1 enzyme activity, tin protoporphyrin (SnPP) and zinc protoporphyrin (ZnPP), enhanced CdCl 2 -induced actin cytoskeletal disorganization and the accumulation of HO-1, HSP70, aggregated protein and aggresome-like structures. Treatment of cells with hemin and baicalein, which were previously shown to provide cytoprotection against various stresses, induced HO-1 accumulation in a concentration-dependent manner. Also, treatment of cells with hemin and baicalein suppressed CdCl 2 -induced actin dysregulation and the accumulation of aggregated protein and aggresome-like structures. This cytoprotective effect was inhibited by SnPP. These results suggest that HO-1-mediated protection against CdCl 2 toxicity includes the maintenance of actin cytoskeletal and microtubular structure and the suppression of aggregated protein and aggresome-like structures. Copyright © 2018 Elsevier Inc. All rights reserved.

Relationship of CD86 surface marker expression and cytotoxicity on dendritic cells exposed to chemical allergen

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

Hulette, Ben C.; Ryan, Cindy A.; Gildea, Lucy A.

2005-12-01

Human peripheral blood-derived dendritic cells (DC) respond to a variety of chemical allergens by up-regulating expression of the co-stimulatory molecule CD86. It has been postulated that this measure might provide the basis for an in vitro alternative approach for the identification of skin sensitizing chemicals. We recently reported that DC, exposed in culture to the highest non-cytotoxic concentrations of various chemical allergens, displayed marginal up-regulation of membrane CD86 expression; the interpretation being that such changes were insufficiently sensitive for the purposes of hazard identification. For the work presented here, immature DC were derived from human monocytes and treated with themore » chemical allergens 2,4-dinitrobenzenesulfonic acid (DNBS), nickel sulfate (NiSO{sub 4}), p-phenylenediamine (PPD), Bandrowski's base (BB), hydroquinone (HQ) and propyl gallate (PG) for 48 h at concentrations which induced both no to slight to moderate cytotoxicity. For comparison, DC were treated with the irritants sodium dodecyl sulfate (SDS), benzoic acid (BA), and benzalkonium chloride (BZC) at concentrations resulting in comparable levels of cytotoxicity. CD86 expression, as measured by flow cytometry, was consistently up-regulated (ranging from 162 to 386% control) on DC treated with concentrations of chemical allergens that induced approximately 10-15% cytotoxicity. The irritants BA and BZC did not induce up-regulation of CD86 expression when tested at concentrations that induced similar levels of cytotoxicity. SDS, however, up-regulated CD86 expression to 125-138% of control in 2/4 preparations when tested at concentrations which induced similar toxicity. Our results confirm that chemical allergens up-regulate CD86 expression on blood-derived DC and illustrate further that up-regulation of CD86 surface marker expression is more robust when DC are treated with concentrations of chemical allergen that induce slight to moderate cytotoxicity.« less

A mid-twentieth century reduction in tropical upwelling inferred from coralline trace element proxies

NASA Astrophysics Data System (ADS)

Reuer, Matthew K.; Boyle, Edward A.; Cole, Julia E.

2003-05-01

The Cariaco Basin is an important archive of past climate variability given its response to inter- and extratropical climate forcing and the accumulation of annually laminated sediments within an anoxic water column. This study presents high-resolution surface coral trace element records ( Montastrea annularis and Siderastrea siderea) from Isla Tortuga, Venezuela, located within the upwelling center of this region. A two-fold reduction in Cd/Ca ratios (3.5-1.7 nmol/mol) is observed from 1946 to 1952 with no concurrent shift in Ba/Ca ratios. This reduction agrees with the hydrographic distribution of dissolved cadmium and barium and their expected response to upwelling. Significant anthropogenic variability is also observed from Pb/Ca analysis, observing three lead maxima since 1920. Kinetic control of trace element ratios is inferred from an interspecies comparison of Cd/Ca and Ba/Ca ratios (consistent with the Sr/Ca kinetic artifact), but these artifacts are smaller than the environmental signal and do not explain the Cd/Ca transition. The trace element records agree with historical climate data and differ from sedimentary faunal abundance records, suggesting a linear response to North Atlantic extratropical forcing cannot account for the observed historical variability in this region.

Vertical distribution of major, minor and trace elements in sediments from mud volcanoes of the Gulf of Cadiz: evidence of Cd, As and Ba fronts in upper layers

NASA Astrophysics Data System (ADS)

Carvalho, Lina; Monteiro, Rui; Figueira, Paula; Mieiro, Cláudia; Almeida, Joana; Pereira, Eduarda; Magalhães, Vítor; Pinheiro, Luís; Vale, Carlos

2018-01-01

Mud volcanoes are feature of the coastal margins where anaerobic oxidation of methane triggers geochemical signals. Elemental composition, percentage of fine particles and loss on ignition were determined in sediment layers of eleven gravity cores retrieved from four mud volcanoes (Sagres, Bonjardim, Soloviev and Porto) and three undefined structures located on the deep Portuguese margin of the Gulf of Cadiz. Calcium was positively correlated to Sr and inversely to Al as well as to most of the trace elements. Vertical profiles of Ba, Cd and As concentrations, and their ratios to Al, in Porto and Soloviev showed pronounced enhancements in the top 50-cm depth. Sub-surface enhancements were less pronounced in other mud volcanoes and were absent in sediments from the structures. These profiles were interpreted as diagenetic enrichments related to the anaerobic oxidation of methane originated from upward methane-rich fluxes. The observed barium fronts were most likely caused by the presence of barite which precipitated at the sulphate-methane transition zone. Cd and As enrichments have probably resulted from successive dissolution/precipitation of sulphides in response to vertical shifts of redox boundaries.

Emission and profile characteristic of polycyclic aromatic hydrocarbons in PM2.5 and PM10 from stationary sources based on dilution sampling

NASA Astrophysics Data System (ADS)

Kong, Shaofei; Ji, Yaqin; Li, Zhiyong; Lu, Bing; Bai, Zhipeng

2013-10-01

The mass concentrations and profile characteristic for 18 kinds of polycyclic aromatic hydrocarbons (PAHs) in PM2.5 and PM10 from stack gases for six types of stationary sources in Shandong Province, China were studied by a dilution sampling system and GC-MS analysis method from February to March in 2010. The mass concentrations of PM2.5 and PM10 from the six types of stationary sources varied in 8.2-79.4 mg m-3 and 23.3-156.7 mg m-3, respectively. The total mass concentrations of analyzed PAHs in PM2.5 and PM10 were in the ranges of 0.40-94.35 μg m-3 and 9.16-122.91 μg m-3. The most toxic ashes were from sinter and coke oven for both PM2.5 and PM10 with high carcinogenic PAHs concentrations. BbF, Phe, NaP, BghiP, Pyr, BaP and BeP were abundant which was different from formers and one of the key reasons may be the differences of sampling methods. Diversities in PAHs compositions existed between fly ashes within PM2.5 and PM10 fractions for coke oven according to coefficient of divergence (CD) values. PAHs profiles for PM10 emitted from coke oven were different from those of other stationary sources (with CD values higher than 0.35) and for PM2.5, it was the same for sinter (with most CD values close to 0.30). There existed similar PAHs markers for fine particles emitted from stationary sources excepted for the sinter. For PM10, PAHs markers were primary 3-ring PAHs except for the coke oven with BbF, IND and BghiP as its signatures. Diagnostic ratios of BaA/(BaA + Chr), Flu/(Flu + Pyr), BaP/(BaP + BeP), BeP/BghiP and IND/(IND + BghiP) could be not well distinguished for the six types of stationary sources with the maximum/minimum ratios lower than 2 for both PM2.5 and PM10 of fly ashes which should be not used for source identification studies. The mass concentrations and source profiles of PAHs should be updated timely for size-differentiated fly ashes from various stationary sources by dilution sampling method.

Modeling active capping efficacy. 1. Metal and organometal contaminated sediment remediation.

PubMed

Viana, Priscilla Z; Yin, Ke; Rockne, Karl J

2008-12-01

Cd, Cr, Pb, Ag, As, Ba, Hg, CH3Hg, and CN transport through sand, granular activated carbon (GAC), organoclay, shredded tires, and apatite caps was modeled by deterministic and Monte Carlo methods. Time to 10% breakthrough, 30 and 100 yr cumulative release were metrics of effectiveness. Effective caps prevented above-cap concentrations from exceeding USEPA acute criteria at 100 yr assuming below-cap concentrations at solubility. Sand caps performed best under diffusion due to the greater diffusive path length. Apatite had the best advective performance for Cd, Cr, and Pb. Organoclay performed best for Ag, As, Ba, CH3Hg, and CN. Organoclay and apatite were equally effective for Hg. Monte Carlo analysis was used to determine output sensitivity. Sand was effective under diffusion for Cr within the 50% confidence interval (CI), for Cd and Pb (75% CI), and for As, Hg, and CH3Hg (95% CI). Under diffusion and advection, apatite was effective for Cd, Pb, and Hg (75% CI) and organoclay was effective for Hg and CH3Hg (50% CI). GAC and shredded tires performed relatively poorly. Although no single cap is a panacea, apatite and organoclay have the broadest range of effectiveness. Cap performance is most sensitive to the partitioning coefficient and hydraulic conductivity, indicating the importance of accurate site-specific measurement for these parameters.

Implications for food safety of the uptake by tomato of 25 trace-elements from a phosphogypsum amended soil from SW Spain.

PubMed

Enamorado, Santiago; Abril, José M; Delgado, Antonio; Más, José L; Polvillo, Oliva; Quintero, José M

2014-02-15

Phosphogypsum (PG) has been usually applied as Ca-amendment to reclaim sodic soils such as those in the marshland area of Lebrija (SW Spain). This work aimed at the effects of PG amendments on the uptake of trace-elements by tomato and its implications for food safety. A completely randomized experiment was performed using a representative soil from Lebrija in a greenhouse involving six replicates and four PG treatments equivalent to 0, 20, 60, and 200 Mg ha(-1). Soil-to-plant transfer factors (TFs) were determined for Be, B, Al, Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, As, Se, Sr, Mo, Ag, Cd, Sb, Cs, Ba, Tl, Pb, Th and U. The highest TF in shoots was observed for Cd (4.0; 1.5 in fruits), its concentration being increased with increasing PG doses due to its content in this metal (2.1 mg Cd kg(-1)PG). Phosphogypsum applying decreased the concentrations of Mn, Co and Cu in shoots; and of B, Cu, Sb, Cs, Ba, Tl and Th in fruits, however enhanced the accumulation of Se in fruits. Although Cd concentrations in tomato were below the maximum allowed levels in control pots (0 Mg PG ha(-1)), PG amendments above 60 Mg ha(-1) exceeded such limits. Copyright © 2013 Elsevier B.V. All rights reserved.

Syntheses and structural characterization of non-centrosymmetric Na{sub 2}M{sub 2}M'S{sub 6} (M, M′=Ga, In, Si, Ge, Sn, Zn, Cd) sulfides

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

Yohannan, Jinu P.; Vidyasagar, Kanamaluru, E-mail: kvsagar@iitm.ac.in

Seven new non-centrosymmetric Na{sub 2}M{sub 2}M’S{sub 6} sulfides, namely, Na{sub 2}Sn{sub 2}ZnS{sub 6}(1){sub ,} Na{sub 2}Ga{sub 2}GeS{sub 6}(2), Na{sub 2}Ga{sub 2}SnS{sub 6}(3-α), Na{sub 2}Ga{sub 2}SnS{sub 6}(3-β){sub ,} Na{sub 2}Ge{sub 2}ZnS{sub 6}(4){sub ,} Na{sub 2}Ge{sub 2}CdS{sub 6}(5){sub ,} Na{sub 2}In{sub 2}SiS{sub 6}(6) and Na{sub 2}In{sub 2}GeS{sub 6}(7), were synthesized by high temperature solid state reactions and structurally characterized by single crystal X-ray diffraction. They crystallize in non-centrosymmetric Fdd2 and Cc space groups and their three-dimensional [M{sub 2}M′S{sub 6}]{sup 2-}framework structures consist of MS{sub 4} and M′S{sub 4} tetrahedra corner-connected to one another in either orderly or disordered fashion. Sodium ions residemore » in the tunnels of the anionic framework. Compounds 1, 2 and 3-α have the structure of known Li{sub 2}Ga{sub 2}GeS{sub 6}, whereas compounds 6 and 7 are isostructural with known Li{sub 2}In{sub 2}GeS{sub 6} compound. Isostructural compounds 4 and 5 represent a new structural variant. Compounds 3-α and its new monoclinic structural variant 3-β have disordered structural framework. All of them are wide band gap semiconductors. Na{sub 2}Ga{sub 2}GeS{sub 6}(2), Na{sub 2}Ga{sub 2}SnS{sub 6}(3), Na{sub 2}Ge{sub 2}ZnS{sub 6}(4) and Na{sub 2}In{sub 2}GeS{sub 6}(7) compounds are found to be second-harmonic generation (SHG) active. Compounds 1, 2 and 3-α melt congruently. - Graphical abstract: Na{sub 2}Ga{sub 2}GeS{sub 6}, Na{sub 2}Ga{sub 2}SnS{sub 6}, Na{sub 2}Ge{sub 2}ZnS{sub 6}, Na{sub 2}In{sub 2}GeS{sub 6}, Na{sub 2}Sn{sub 2}ZnS{sub 6}, Na{sub 2}Ge{sub 2}CdS{sub 6} and Na{sub 2}In{sub 2}SiS{sub 6} have non-centrosymmetric structures and the first four compounds are SHG active. Display Omitted - Highlights: • Seven new Na{sub 2}M{sub 2}M′S{sub 6} compounds with non-centrosymmetric structures were synthesized. • They are wide band gap semiconductors. • Na{sub 2}Ga{sub 2}GeS{sub 6}, Na{sub 2}Ga{sub 2}SnS{sub 6}, Na{sub 2}Ge{sub 2}ZnS{sub 6} and Na{sub 2}In{sub 2}GeS{sub 6} are SHG active.« less

Cross section measurement of alpha particle induced nuclear reactions on natural cadmium up to 52MeV.

PubMed

Ditrói, F; Takács, S; Haba, H; Komori, Y; Aikawa, M

2016-12-01

Cross sections of alpha particle induced nuclear reactions have been measured on thin natural cadmium targets foils in the energy range from 11 to 51.2MeV. This work was a part of our systematic study on excitation functions of light ion induced nuclear reactions on different target materials. Regarding the cross sections, the alpha induced reactions are not deeply enough investigated. Some of the produced isotopes are of medical interest, others have application in research and industry. The radioisotope 117m Sn is a very important theranostic (therapeutic + diagnostic) radioisotope, so special care was taken to the results for that isotope. The well-established stacked foil technique followed by gamma-spectrometry with HPGe gamma spectrometers were used. The target and monitor foils in the stack were commercial high purity metal foils. From the irradiated targets 117m Sn, 113 Sn, 110 Sn, 117m,g In, 116m In, 115m In, 114m In, 113m In, 111 In, 110m,g In, 109m In, 108m,g In, 115g Cd and 111m Cd were identified and their excitation functions were derived. The results were compared with the data of the previous measurements from the literature and with the results of the theoretical nuclear reaction model code calculations TALYS 1.8 (TENDL-2015) and EMPIRE 3.2 (Malta). From the cross section curves thick target yields were calculated and compared with the available literature data. Copyright © 2016 Elsevier Ltd. All rights reserved.

Stability of Cd 1–xZn xO yS 1–y Quaternary Alloys Assessed with First-Principles Calculations

DOE PAGES

Varley, Joel B.; He, Xiaoqing; Rockett, Angus; ...

2017-02-08

One route to decreasing the absorption in CdS buffer layers in Cu(In,Ga)Se 2 and Cu 2ZnSn(S,Se) 4 thin-film photovoltaics is by alloying. Here we use first-principles calculations based on hybrid functionals to assess the energetics and stability of quaternary Cd, Zn, O, and S (Cd 1–xZn xO yS 1–y) alloys within a regular solution model. Our results identify that full miscibility of most Cd 1–xZn xO yS 1–y compositions and even binaries like Zn(O,S) is outside typical photovoltaic processing conditions. Finally, the results suggest that the tendency for phase separation of the oxysulfides may drive the nucleation of other phasesmore » such as sulfates that have been increasingly observed in oxygenated CdS and ZnS.« less

Stability of Cd 1–xZn xO yS 1–y Quaternary Alloys Assessed with First-Principles Calculations

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

Varley, Joel B.; He, Xiaoqing; Rockett, Angus

One route to decreasing the absorption in CdS buffer layers in Cu(In,Ga)Se 2 and Cu 2ZnSn(S,Se) 4 thin-film photovoltaics is by alloying. Here we use first-principles calculations based on hybrid functionals to assess the energetics and stability of quaternary Cd, Zn, O, and S (Cd 1–xZn xO yS 1–y) alloys within a regular solution model. Our results identify that full miscibility of most Cd 1–xZn xO yS 1–y compositions and even binaries like Zn(O,S) is outside typical photovoltaic processing conditions. Finally, the results suggest that the tendency for phase separation of the oxysulfides may drive the nucleation of other phasesmore » such as sulfates that have been increasingly observed in oxygenated CdS and ZnS.« less

Distribution of potentially hazardous trace elements in coals from Shanxi province, China

USGS Publications Warehouse

Zhang, J.Y.; Zheng, C.G.; Ren, D.Y.; Chou, C.-L.; Liu, J.; Zeng, R.-S.; Wang, Z.P.; Zhao, F.H.; Ge, Y.T.

2004-01-01

Shanxi province, located in the center of China, is the biggest coal base of China. There are five coal-forming periods in Shanxi province: Late Carboniferous (Taiyuan Formation), Early Permian (Shanxi Formation), Middle Jurassic (Datong Formation), Tertiary (Taxigou Formation), and Quaternary. Hundred and ten coal samples and a peat sample from Shanxi province were collected and the contents of 20 potentially hazardous trace elements (PHTEs) (As, B, Ba, Cd, Cl, Co, Cr, Cu, F, Hg, Mn, Mo, Ni, Pb, Sb, Se, Th, U, V and Zn) in these samples were determined by instrumental neutron activation analysis, atomic absorption spectrometry, cold-vapor atomic absorption spectrometry, ion chromatography spectrometry, and wet chemical analysis. The result shows that the brown coals are enriched in As, Ba, Cd, Cr, Cu, F and Zn compared with the bituminous coals and anthracite, whereas the bituminous coals are enriched in B, Cl, Hg, and the anthracite is enriched in Cl, Hg, U and V. A comparison with world averages and crustal abundances (Clarke values) shows that the Quaternary peat is highly enriched in As and Mo, Tertiary brown coals are highly enriched in Cd, Middle Jurassic coals, Early Permian coals and Late Carboniferous coals are enriched in Hg. According to the coal ranks, the bituminous coals are highly enriched in Hg, whereas Cd, F and Th show low enrichments, and the anthracite is also highly enriched in Hg and low enrichment in Th. The concentrations of Cd, F, Hg and Th in Shanxi coals are more than world arithmetic means of concentrations for the corresponding elements. Comparing with the United States coals, Shanxi coals show higher concentrations of Cd, Hg, Pb, Se and Th. Most of Shanxi coals contain lower concentrations of PHTEs. ?? 2004 Elsevier Ltd. All rights reserved.

Determination of essential and toxic elements in Cordyceps kyushuensis Kawam by inductively coupled plasma mass spectrometry.

PubMed

Zhang, Guoying; Zhao, Yanxin; Liu, Fengjun; Ling, Jianya; Lin, Jianqiang; Zhang, Changkai

2013-01-01

In this study, a total of 20 elements (essential, non-essential and toxic): lithium (Li), sodium (Na), potassium (K), gallium (Ga), magnesium (Mg), zinc (Zn), iron (Fe), copper (Cu), manganese (Mn), vanadium (V), chromium (Cr), nickel (Ni), cobalt (Co), molybdenum (Mo), selenium (Se), barium (Ba), tin (Sn), arsenic (As), lead (Pb) cadmium (Cd) and mercury (Hg) in natural and cultured Cordyceps kyushuensis have been determined by means of inductively coupled plasma mass spectrometry (ICP-MS). Cultured stroma, natural stroma and natural worm were digested by microwave-assisted method before analysis. The proposed ICP-MS method was validated by analyzing a certified reference material (CRM) GBW10015 (spinach). The results of one-way analysis of variance (ANOVA) revealed that the element concentrations in the three kinds of samples were significantly different (p<0.05). Except for Mg, Zn, Cu, the values of other elemental contents were the highest in the stroma of natural C. kyushuensis. In comparison with the worm, the concentrations of determined elements in wild stroma were higher. The remarkable difference of elemental contents between cultured and natural stroma may be caused by distinct growing environment. This finding highlighted the usefulness of ICP-MS elemental analysis and enhanced the value of C. kyushuensis as a candidate for nourishing food based on its composition. Copyright © 2012 Elsevier B.V. All rights reserved.

Investigation of Drinking Water Quality in Kosovo

PubMed Central

Berisha, Fatlume; Goessler, Walter

2013-01-01

In the recent years, not much environmental monitoring has been conducted in the territory of Kosovo. This study represents the first comprehensive monitoring of the drinking water situation throughout most of the territory of Kosovo. We present the distribution of major and minor trace elements in drinking water samples from Kosovo. During our study we collected 951 samples from four different sources: private-bored wells; naturally flowing artesian water; pumped-drilled wells; and public water sources (tap water). The randomly selected drinking water samples were investigated by routine water analyses using inductively coupled plasma mass spectrometry (ICPMS) for 32 elements (Li, Be, B, Na, Mg, Al, K, Ca, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, Ga, As, Rb, Sr, Mo, Ag, Cd, Sn, Sb, Te, Ba, Tl, Pb, Bi, Th, U). Even though there are set guidelines for elemental exposure in drinking water worldwide, in developing countries, such as Kosovo, the lack of monitoring drinking water continues to be an important health concern. This study reports the concentrations of major and minor elements in the drinking water in Kosovo. Additionally, we show the variation of the metal concentration within different sources. Of the 15 regulated elements, the following five elements: Mn, Fe, Al, Ni, As, and U were the elements which most often exceeded the guidelines set by the EU and/or WHO. PMID:23509472

A novel 4-phenyl amino thiourea derivative designed for real-time ratiometric-colorimetric detection of toxic Pb2.

PubMed

Guang, Yi S; Ren, Xia; Zhao, Shuang; Yan, Quan Z; Zhao, Gang; Xu, Yao H

2018-05-12

The objective of this study was to develop a ratiometric and colorimetric organic sensor for Pb 2+ detection in environmental samples. A new probe 4-phenyl amino thiourea (PAT) was designed and synthesized using hydrazine hydrate and phenyl isothiocyanate as raw materials. After its structure was characterized and confirmed, its UV-vis spectral property was investigated in detail. PAT possesses a specifically real-time, ratiometric and colorimetric response to Pb 2+ in dimethyl formamide (DMF)/H 2 O (v/v = 9:1, pH = 7.0) within 18.0 s. There was little interference in the presence of some other common metal ions, such as Fe 3+ , Cd 2+ , Zn 2+ , Mg 2+ , Cr 3+ , Ca 2+ , Ba 2+ , Sn 2+ , Na + , Mn 2+ , Hg 2+ , and Pb 2+ . Under the optimized conditions (DMF/H 2 O with v/v of 9:1, c PAT = 1.0 × 10 -3 mol·L -1 , pH = 7.0), the present sensor PAT was successfully applied for Pb 2+ determination in environmental water samples with satisfied recoveries (83.0%-106.0%) and analytical precision (≤7.2%). The recognition mechanism was confirmed to form a stable 1:1 six-member ring complex between the target dye and Pb 2+ with a coordination constant of 4.96 × 10 4 .

Role of Phragmites australis (common reed) for heavy metals phytoremediation of estuarine sediments.

PubMed

Cicero-Fernández, Diego; Peña-Fernández, Manuel; Expósito-Camargo, Jose A; Antizar-Ladislao, Blanca

2016-01-01

The ability of Phragmites australis to take up heavy metals (Co, Ni, Mo, Cd, Pb, Cr, Cu, Fe, Mn, Zn, and Hg) and other trace elements (As, Se, Ba), from estuarine sediments was investigated using a pilot plant experimental approach. Bioaccumulation (BCF) and translocation factors (TF) were calculated in vegetative and senescence periods for two populations of P. australis, from contaminated (MIC) and non-contaminated (GAL) estuarine sediments, respectively, both growing in estuarine contaminated sediment (RIA) from ría del Carmen y Boo, Santander Bay, Spain. The highest BCF values were obtained for Ni (0.43), Ba (0.43) Mo (0.36), Cr (0.35), and Cd (0.31) for plants collected from site GAL following the senescence period. The highest BCF values recorded for plants collected from MIC following the senescence period were for Mo (0.22) and Cu (0.22). Following senescence, plants collected from GAL and MIC presented TF>1 for Ni, Mo, Se, and Zn, and in addition plants collected from MIC presented TF>1 for Ba, Cr, and Mn. A substantial increase of Micedo's rhizosphere, six times higher than Galizano's rhizosphere, suggested adaptation to contaminated sediment. The evaluated communities of P. australis demonstrated their suitability for phytoremediation of heavy metals contaminated estuarine sediments.

Magnetic Moments of the 21+ and 41+ States in 110SN

NASA Astrophysics Data System (ADS)

Kumbartzki, Gerfried; Benczer-Koller, N.; Bernstein, L.; Torres, D. A.; Speidel, K.-H.; Allmond, J. M.; Fallon, P.; Abramovic, I.; Bevins, J. M.; Hurst, A.; Guevara, Z. E.; Gürdal, G.; Kirsch, L.; Laplace, T.; Lo, A.; Crawford, H. L.; Matthew, E.; Meyers, I.; Phair, L.; Ramirez, F.; Sharon, Y. Y.; Wiens, A.

2015-10-01

The structure of the Sn isotopes has been studied via measurements of B(E2;21+->01+) transition rates and g factors of 21+ states. Values of B(E2)'s in the lighter isotopes show an increase in collectivity below midshell, contrary to predictions from shell model calculations. In order to better establish the structure of these neutron-deficient isotopes, measurements of g factors in 110Sn, where the neutrons might occupy both the g7/2 and d5/2 orbitals, have been carried out. The states of interest were populated in the reaction 12C(106Cd, 2 α)110Sn, at the LBNL 88 inch cyclotron. The γ rays were detected in ORNL and LBNL clover detectors. The transient field technique was used to obtain magnetic moments. The details of the experiment and the results will be presented. The authors acknowledge support from the US NSF and DoE, the Colombia Colciencias and the German DFG.

The role of the insula in intuitive expert bug detection in computer code: an fMRI study.

PubMed

Castelhano, Joao; Duarte, Isabel C; Ferreira, Carlos; Duraes, Joao; Madeira, Henrique; Castelo-Branco, Miguel

2018-05-09

Software programming is a complex and relatively recent human activity, involving the integration of mathematical, recursive thinking and language processing. The neural correlates of this recent human activity are still poorly understood. Error monitoring during this type of task, requiring the integration of language, logical symbol manipulation and other mathematical skills, is particularly challenging. We therefore aimed to investigate the neural correlates of decision-making during source code understanding and mental manipulation in professional participants with high expertise. The present fMRI study directly addressed error monitoring during source code comprehension, expert bug detection and decision-making. We used C code, which triggers the same sort of processing irrespective of the native language of the programmer. We discovered a distinct role for the insula in bug monitoring and detection and a novel connectivity pattern that goes beyond the expected activation pattern evoked by source code understanding in semantic language and mathematical processing regions. Importantly, insula activity levels were critically related to the quality of error detection, involving intuition, as signalled by reported initial bug suspicion, prior to final decision and bug detection. Activity in this salience network (SN) region evoked by bug suspicion was predictive of bug detection precision, suggesting that it encodes the quality of the behavioral evidence. Connectivity analysis provided evidence for top-down circuit "reutilization" stemming from anterior cingulate cortex (BA32), a core region in the SN that evolved for complex error monitoring such as required for this type of recent human activity. Cingulate (BA32) and anterolateral (BA10) frontal regions causally modulated decision processes in the insula, which in turn was related to activity of math processing regions in early parietal cortex. In other words, earlier brain regions used during evolution for other functions seem to be reutilized in a top-down manner for a new complex function, in an analogous manner as described for other cultural creations such as reading and literacy.

Electrodeposition of Sn-Ni Alloy Coatings for Water-Splitting Application from Alkaline Medium

NASA Astrophysics Data System (ADS)

Shetty, Sandhya; Hegde, A. Chitharanjan

2017-02-01

In this work, Sn-Ni alloy coatings were developed onto the surface of copper from a newly formulated electrolytic bath by a simple and cost-effective electrodeposition technique using gelatin as an additive. The electrocatalytic behavior of coatings deposited at different current densities (c.d.'s) for water-splitting applications, in terms of hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), has been researched. The experimental results showed that the electrocatalytic activity of Sn-Ni coatings has a close relationship with its composition, surface morphology, and phase structure depending on the c.d. used, supported by scanning electron microscopy (SEM-EDX) and X-ray diffraction (XRD) analyses. Cyclic voltammetry and chronopotentiometry techniques have demonstrated that Sn-Ni alloy deposited at 4.0 A dm-2 (having 37.6 wt pct Ni) and 1.0 A dm-2 (having 19.6 wt pct Ni) exhibit, respectively, the highest electrocatalytic behavior for HER and OER in 1.0-M KOH solution. Sn-Ni alloy coatings were found to be stable under working conditions of electrolysis, confirmed by electrochemical corrosion tests. High electrocatalytic activity of Sn-Ni alloy coatings for both HER and OER is specific to their composition, surface morphology, and active surface area.

Cocklebur-shaped colloidal dispersions.

PubMed

Lestage, David J; Urban, Marek W

2005-11-08

Unique cocklebur-shaped colloidal dispersions were prepared using a combination of a nanoextruder applied to the aqueous solution containing methyl methacrylate (MMA) and n-butyl acrylate (n-BA) with azo-bis-isobutyronitrile (AIBN) or potassium persulfate (KPS) initiators and stabilized by a mixture of sodium dioctyl sulfosuccinate (SDOSS) and 1,2-bis(10,12-tricosadiynoyl)-sn-glycero-3-phosphocholine (DCPC) phospholipid. Upon extrusion and heating to 75 degrees C, methyl methacrylate/n-butyl acrylate (MMA/nBA) colloidal particles containing tubules pointing outward were obtained as a result of DCPC phospholipids present at the particle surfaces. The same cocklebur-shaped particles were obtained when classical polymerization was used without a nanoextruder under similar compositional and thermal conditions, giving a particle size of 159 nm. However, when Ca(2+) ions are present during polymerization, cocklebur morphologies are disrupted. Because DCPC tubules undergo a transition at 38 degrees C, such cocklebur morphologies may offer numerous opportunities for devices with stimuli-responsive characteristics.

Anomalous X-Ray Reflectivity Characterization of Ion Distribution at Biomimetic Membranes

NASA Astrophysics Data System (ADS)

Vaknin, David; Krüger, Peter; Lösche, Mathias

2003-05-01

Anomalous x-ray reflectivity measurements provides detailed information on ion binding to biomembrane surfaces. Using a monochromatic beam tuned to various x-ray energies at the Argonne National Laboratory Advanced Photon Source and utilizing a newly commissioned x-ray liquid surfaces reflectometer, measurements at and away from ion absorption edges allow determination of the distribution of these ions as they accumulate near lipid membranes. As a model, the interaction of Ba2+ ions with DMPA- (1,2-dimyristoyl-sn-glycero-3-phosphatidic acid) monolayers at the aqueous surface is studied. We find an unexpectedly large concentration of barium at the interface, ≈1.5 per DMPA-, forming a Stern layer of bound ions and a cloud of less densely bound ions near the lipid headgroups. This result can be understood only if one assumes that bound cations are partially speciated, e.g., as BaOH+.

Relating FTS Catalyst Properties to Performance

NASA Technical Reports Server (NTRS)

Ma, Wenping; Ramana Rao Pendyala, Venkat; Gao, Pei; Jermwongratanachai, Thani; Jacobs, Gary; Davis, Burton H.

2016-01-01

During the reporting period June 23, 2011 to August 31, 2013, CAER researchers carried out research in two areas of fundamental importance to the topic of cobalt-based Fischer-Tropsch Synthesis (FTS): promoters and stability. The first area was research into possible substitute promoters that might be used to replace the expensive promoters (e.g., Pt, Re, and Ru) that are commonly used. To that end, three separate investigations were carried out. Due to the strong support interaction of ?-Al2O3 with cobalt, metal promoters are commonly added to commercial FTS catalysts to facilitate the reduction of cobalt oxides and thereby boost active surface cobalt metal sites. To date, the metal promoters examined have been those up to and including Group 11. Because two Group 11 promoters (i.e., Ag and Au) were identified to exhibit positive impacts on conversion, selectivity, or both, research was undertaken to explore metals in Groups 12 - 14. The three metals selected for this purpose were Cd, In, and Sn. At a higher loading of 25%Co on alumina, 1% addition of Cd, In, or Sn was found to-on average-facilitate reduction by promoting a heterogeneous distribution of cobalt consisting of larger lesser interacting cobalt clusters and smaller strongly interacting cobalt species. The lesser interacting species were identified in TPR profiles, where a sharp low temperature peak occurred for the reduction of larger, weakly interacting, CoO species. In XANES, the Cd, In, and Sn promoters were found to exist as oxides, whereas typical promoters (e.g., Re, Ru, Pt) were previously determined to exist in an metallic state in atomic coordination with cobalt. The larger cobalt clusters significantly decreased the active site density relative to the unpromoted 25%Co/Al2O3 catalyst. Decreasing the cobalt loading to 15%Co eliminated the large non-interacting species. The TPR peak for reduction of strongly interacting CoO in the Cd promoted catalyst occurred at a measurably lower temperature than in the unpromoted catalyst. Nevertheless, the Co clusters remained slightly larger, on average, in comparison with the unpromoted 15%Co/Al2O3 reference catalyst. None of the promoted catalysts (i.e., with Cd, In, or Sn) exhibited surface Co0 site densities higher than that of the unpromoted catalyst. In activity testing, the activities were even much lower than what was expected from the H2-TPD results. Two possible explanations were proposed: (1) the promoters may be located on the surfaces of cobalt particles, blocking surface Co0 but being able to desorb hydrogen or (2) the promoters may facilitate Co oxidation during FTS, as previously observed by Huffman and coworkers when K was added to cobalt catalysts.

Solid-state NMR calculations for metal oxides and gallates: shielding and quadrupolar parameters for perovskites and related phases.

PubMed

Middlemiss, Derek S; Blanc, Frédéric; Pickard, Chris J; Grey, Clare P

2010-05-01

The NMR parameters obtained from solid-state DFT calculations within the GIPAW approach for (17)O- and (69/71)Ga-sites in a range of predominantly oxide-based (group II monoxides, SrTiO(3), BaZrO(3), BaSnO(3), BaTiO(3), LaAlO(3), LaGaO(3), SrZrO(3), MgSiO(3) and Ba(2)In(2)O(5)), and gallate (alpha- and beta-Ga(2)O(3), LiGaO(2), NaGaO(2), GaPO(4) and LaGaO(3)) materials are compared with experimental values, with a view to the future application of a similar approach to doped phases of interest as candidate intermediate temperature solid oxide fuel cell (ITSOFC) electrolytes. Isotropic and anisotropic chemical shift parameters, quadrupolar coupling constants, and associated asymmetries are presented and analyzed. The unusual GaO(5) site occurring in LaGaGe(2)O(7) is also fully characterised. In general, it is found that the theoretical results closely track the experimental trends, though some deviations are identified and discussed, particularly in regard to quadrupolar eta(Q)-values. The high quality of the computed results suggests that this approach can be extended to study more complex and disordered phases. Copyright 2010 Elsevier Inc. All rights reserved.

Targeting glutamine metabolism in myeloproliferative neoplasms

PubMed Central

Zhan, Huichun; Ciano, Kristen; Dong, Katherine; Zucker, Stanley

2016-01-01

JAK2V617F mutation can be detected in the majority of myeloproliferative neoplasm (MPN) patients. The JAK2 inhibitor Ruxolitinib is the first FDA-approved treatment for MPNs. However, its use is limited by various dose related toxicities. Here, we studied the metabolic state and glutamine metabolism of BaF3-hEPOR-JAK2V617F and BaF3-hEPOR-JAK2WT cells. We found that the JAK2V617F-mutant cells were associated with increased oxygen consumption rate and extracellular acidification rate than the JAK2WT cells and there was an increased glutamine metabolism in JAK2V617F-mutant cells compared to wild-type cells. Glutaminase (GLS), the key enzyme in gluta-mine metabolism, was upregulated in the JAK2V617F-mutant BaF3 cells compared to the JAK2WT BaF3 cells. In MPN patient peripheral blood CD34+ cells, GLS expression was increased in JAK2V617F-mutant progenitor cells compared to JAK2 wild-type progenitor cells from the same patients and GLS levels were increased at the time of disease progression compared to at earlier time points. Moreover, GLS inhibitor increased the growth inhibitory effect of Ruxolitinib in both JAK2V617F-mutant cell lines and peripheral blood CD34+ cells from MPN patients. Therefore, GLS inhibitor should be further explored to enhance the therapeutic effectiveness of JAK2 inhibitor and allow the administration of lower doses of the drug to avoid its toxicity. PMID:26227854