Thermal expansion of phosphates with the NaZr2(PO4)3 structure containing lanthanides and zirconium: R 0.33Zr2(PO4)3 ( R = Nd, Eu, Er) and Er0.33(1- x) Zr0.25 x Zr2(PO4)3

NASA Astrophysics Data System (ADS)

Volgutov, V. Yu.; Orlova, A. I.

2015-09-01

Phosphates R 0.33Zr2(PO4)3 ( R = Nd, Eu, or Er) and Er0.33(1- х)Zr0.25Zr2(PO4)3 ( х = 0, 0.25, 0.5, 0.75, 1.0) of the NaZr2(PO4)3 family have been synthesized and investigated by high-temperature X-ray diffraction. The crystallochemical approach is used to obtain compounds with expected small and controllable thermal-expansion parameters. Phosphates with close-to-zero thermal-expansion parameters, including those with low thermal-expansion anisotropy, have been obtained: Nd0.33Zr2(PO4)3 with α a =-2.21 × 10-6 °С-1, α c = 0.81 × 10-6 °С-1, and Δα = 3.02 × 10-6 °С-1 and Er0.08Zr0.19Zr2(PO4)3 with α a =-1.86 × 10-6 °С-1, α c = 1.73 × 10-6 °С-1, and Δα = 3.58 × 10-6 °С-1.

Oxygen permeation and stability of La 0.4Ca 0.6Fe 1-xCo xO 3-δ ( x = 0, 0.25, 0.5) membranes

NASA Astrophysics Data System (ADS)

Diethelm, S.; Van herle, J.; Middleton, P. H.; Favrat, D.

Three perovskite-type compounds of composition La 0.4Ca 0.6Fe 1- xCo xO 3- δ ( x=0, 0.25 and 0.5) were investigated for use as oxygen separation membranes for the partial oxidation (POX) of methane to syngas. Special attention was given to the question of their stability in real operating conditions. A permeation set-up was specially designed to measure oxygen fluxes through these materials when placed in a strong pO 2 gradient. It also facilitated testing the long-term stability of the specimen. Permeation measurements performed in an air/argon gradient between 800 and 1000 °C showed that the highest fluxes were obtained with the highest content of cobalt (La 0.4Ca 0.6Fe 0.5Co 0.5O 3- δ ≅ La 0.4Ca 0.6Fe 0.75Co 0.25O 3- δ > La 0.4Ca 0.6FeO 3- δ). In addition, comparison between the fluxes of samples of different thickness gave clear evidence of surface limitations in the oxygen transport. The long-term stability test showed opposite trends: only the two lowest Co containing compounds ( x=0 and 0.25) sustained an air/(Ar+H 2) gradient over more than 600 h. The other ( x=0.5) broke shortly after the introduction of H 2. In the presence of H 2, the oxygen flux was increased by a factor 10 compared to Ar and reached 0.83 μmol/cm 2 s for La 0.4Ca 0.6Fe 0.75Co 0.25O 3- δ at 900 °C. Post-operation SEM examination of the cross-section and both surfaces revealed that the surface exposed to H 2 had started to decompose resulting in the formation of a thin porous layer but the bulk of the material remained unchanged.

DFT study of structural and electronic properties of MoS2(1-x)Se2x alloy (x = 0.25)

NASA Astrophysics Data System (ADS)

Gusakova, Julia; Gusakov, Vasilii; Tay, Beng Kang

2018-04-01

First-principles calculations have been performed to study the structural features of the monolayer MoS2(1-x)Se2x (x = 0.25) alloy and its electronic properties. We studied the effects of the relative positions of Se atoms in a real monolayer alloy. It was demonstrated that the distribution of the Se atoms between the top and bottom chalcogen planes was most energetically favorable. For a more probable distribution of Se atoms, a MoS2(1-x)Se2x (x = 0.25) monolayer alloy is a direct semiconductor with a fundamental band gap equal to 2.35 eV (calculated with the GVJ-2e method). We also evaluated the optical band gap of the alloy at 77 K (1.86 eV) and at room temperature (1.80 eV), which was in good agreement with the experimentally measured band gap of 1.79 eV.

Electronic structure and fragmentation properties of [Fe4S4(SEt)4-x(SSEt)x]2-

NASA Astrophysics Data System (ADS)

Fu, You-Jun; Laskin, Julia; Wang, Lai-Sheng

2007-06-01

A limited exposure of (n-Bu4N)2[Fe4S4(SEt)4] solutions in acetonitrile to air was found to produce a new series of [4Fe-4S] cluster complexes, [Fe4S4(SEt)4-x(SSEt)x]2- (x = 1-4), with the original -SEt ligands substituted by -SSEt di-sulfide ligands, which were formed due to partial decomposition of the [4Fe-4S] core in parent [Fe4S4(SEt)4]2-. The products were first observed in the experiments with an ESI-ion Trap-TOF mass spectrometer and were further identified using high resolution Fourier transform ion cyclotron resonance (FTICR) mass spectrometer. Photoelectron spectra of the [Fe4S4(SEt)4-x(SSEt)x]2- dianions revealed that the -SSEt coordination induced little change in the electronic structure of the [4Fe-4S] cluster, but the electron binding energies of [Fe4S4(SEt)4-x(SSEt)x]2- increased from 0.52 to 0.73 eV with increase in x from 0 to 4, suggesting a greater electron withdrawing ability of -SSEt than -SEt. In high resolution MS/MS experiments on [Fe4S4(SEt)3(SSEt)]2-/1-, clusters with both charge states yielded fragment [Fe4S4(SEt)3]-, suggesting that -SSEt could be lost either as a negatively charged ion SSEt- from the doubly charged precursor, or as a radical SSEt from the singly charged species. The biological implication of the interaction between [Fe4S4(SEt)4]2- and O2 is discussed in comparison to the air exposure of [4Fe-4S] proteins to the air.

Evolution of the magnetic and structural properties of Fe 1 - x Co x V 2 O 4

DOE PAGES

Sinclair, R.; Ma, Jie; Cao, H. B.; ...

2015-10-12

The magnetic and structural properties of single-crystal Fe 1-xCo xV 2O 4 samples have been investigated by performing specific heat, susceptibility, neutron diffraction, and x-ray diffraction measurements. As the orbital-active Fe 2+ ions with larger ionic size are gradually substituted by the orbital-inactive Co 2+ ions with smaller ionic size, the system approaches the itinerant electron limit with decreasing V-V distance. Then, various factors such as the Jahn-Teller distortion and the spin-orbital coupling of the Fe 2+ ions on the A sites and the orbital ordering and electronic itinerancy of the V 3+ ions on the B sites compete withmore » each other to produce a complex magnetic and structural phase diagram. Finally, this phase diagram is compared to those of Fe 1-xMn xV 2O 4 and Mn 1-xCo xV 2O 4 to emphasize several distinct features.« less

15. (4"X5" image enlarged from 2 1/4" negative) Sam Fowler, ...

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

15. (4"X5" image enlarged from 2 1/4" negative) Sam Fowler, Photographer, February 1998 VIEW OF GEORGIA DOT BRIDGE NO. 051-00025D-01986N (JAMES P. HOULIHAN BRIDGE) PIVOT PIER - Georgia DOT Bridge No. 051-00025D-01986N, US 17 & State Route 25 Spanning Savannah River, Port Wentworth, Chatham County, GA

16. (4'X5' image enlarged from 2 1/4' negative) Sam Fowler, ...

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

16. (4'X5' image enlarged from 2 1/4' negative) Sam Fowler, Photographer, February 1998 VIEW OF GEORGIA DOT BRIDGE NO. 051-00025D-01986N (JAMES P. HOULIHAN BRIDGE). DETAIL OF TURN-SPAN MECHANISM. - Georgia DOT Bridge No. 051-00025D-01986N, US 17 & State Route 25 Spanning Savannah River, Port Wentworth, Chatham County, GA

17. (4"X5" image enlarged from 2 1/4" negative) Sam Fowler, ...

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

17. (4"X5" image enlarged from 2 1/4" negative) Sam Fowler, Photographer, February 1998 VIEW OF GEORGIA DOT BRIDGE NO. 051-00025D-01986N (JAMES P. HOULIHAN BRIDGE) APPROACH SPAN FENDER - Georgia DOT Bridge No. 051-00025D-01986N, US 17 & State Route 25 Spanning Savannah River, Port Wentworth, Chatham County, GA

13. (4'X5' image enlarged from 2 1/4' negative) Sam Fowler, ...

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

13. (4'X5' image enlarged from 2 1/4' negative) Sam Fowler, Photographer, February 1998 VIEW OF GEORGIA DOT BRIDGE NO. 051-00025D-01986N (JAMES P. HOULIHAN BRIDGE) NORTH SIDE ELEVATION. - Georgia DOT Bridge No. 051-00025D-01986N, US 17 & State Route 25 Spanning Savannah River, Port Wentworth, Chatham County, GA

14. (4"X5" image enlarged from 2 1/4" negative) Sam Fowler, ...

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

14. (4"X5" image enlarged from 2 1/4" negative) Sam Fowler, Photographer, February 1998 VIEW OF GEORGIA DOT BRIDGE NO. 051-00025D-01986N (JAMES P. HOULIHAN BRIDGE) TURN-SPAN AND LOCKING MECHANISM - Georgia DOT Bridge No. 051-00025D-01986N, US 17 & State Route 25 Spanning Savannah River, Port Wentworth, Chatham County, GA

12. (4'X5' image enlarged from 2 1/4' negative) Sam Fowler, ...

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

12. (4'X5' image enlarged from 2 1/4' negative) Sam Fowler, Photographer, February 1998 VIEW OF GEORGIA DOT BRIDGE NO. 051-00025D-01986N (JAMES P. HOULIHAN BRIDGE) SOUTH SIDE ELEVATION. - Georgia DOT Bridge No. 051-00025D-01986N, US 17 & State Route 25 Spanning Savannah River, Port Wentworth, Chatham County, GA

Dielectric studies of (x) NiFe2O4 + (1 - x) BaTi0.9Zr0.1O3 (where x = 0, 0.25, 0.50, 0.75 and 1)

NASA Astrophysics Data System (ADS)

Wadhwani, Kiran; Srivastava, Subodh; Mathur, Shubhra

2018-05-01

We present the room temperature dielectric studies of the samples in the series (x) NiFe2O4 + (1-x) BaTi0.9Zr0.1O3 (where x = 0, 0.25, 0.50, 0.75 and 1) containing nickel ferrite and Zr substituted barium titanate as the ferroelectric phase and their magnetoelectric (ME) composites in mixed in different molar ratios. Solid state diffusion has been used for the synthesis of samples. Powder X-ray diffraction (XRD) confirms the formation of ferrite and ferroelectric phases and their presence in all three composites with no impurity traces. Room temperature dielectric measurements have been made as a function of frequency (ranging from 100 Hz to 1 MHz).

19. (4"X5" image enlarged from 2 1/4" negative) Sam Fowler, ...

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

19. (4"X5" image enlarged from 2 1/4" negative) Sam Fowler, Photographer, February 1998 VIEW OF GEORGIA DOT BRIDGE NO. 051-00025D-01986N (JAMES P. HOULIHAN BRIDGE). NAVIGATIONAL LIGHT LOCATED ON TOP OF FENDER - Georgia DOT Bridge No. 051-00025D-01986N, US 17 & State Route 25 Spanning Savannah River, Port Wentworth, Chatham County, GA

Efficient UV-emitting X-ray phosphors: octahedral Zr(PO 4) 6 luminescence centers in potassium hafnium-zirconium phosphates K 2Hf 1- xZr x(PO 4) 2 and KHf 2(1- x) Zr 2 x(PO 4) 3

NASA Astrophysics Data System (ADS)

Torardi, C. C.; Miao, C. R.; Li, J.

2003-02-01

Potassium hafnium-zirconium phosphates, K 2Hf 1- xZr x(PO 4) 2 and KHf 2(1- x) Zr 2 x(PO 4) 3, are broad-band UV-emitting phosphors. At room temperature, they have emission peak maxima at approximately 322 and 305 nm, respectively, under 30 kV peak molybdenum X-ray excitation. Both phosphors demonstrate luminescence efficiencies that make them up to ˜60% as bright as commercially available CaWO 4 Hi-Plus. The solid-state and flux synthesis conditions, and X-ray excited UV luminescence of these two phosphors are discussed. Even though the two compounds have different atomic structures, they contain zirconium in the same active luminescence environment as that found in highly efficient UV-emitting BaHf 1- xZr x(PO 4) 2. All the three materials have hafnium and zirconium in octahedral coordination via oxygen-atom corner sharing with six separate PO 4 tetrahedra. This octahedral Zr(PO 4) 6 moiety appears to be an important structural element for efficient X-ray excited luminescence, as are the edge-sharing octahedral TaO 6 chains for tantalate emission.

LiAl xCo 1- xO 2 as 4 V cathodes for lithium ion batteries

NASA Astrophysics Data System (ADS)

Huang, Haitao; Rao, G. V. Subba; Chowdari, B. V. R.

Nominal LiAl xCo 1- xO 2 with x ranging from 0.1 to 0.3 was prepared by heating mixture of Al(OH) 3, Co 3O 4 and LiOH at 750°C in air. The effect of substitution of non-transition metal, Al, in LiCoO 2 is investigated as a 4 V cathode for lithium ion. X-ray diffraction (XRD) indicates formation of a single phase (R3¯m) within this range of substitution. When cycled between 4.5 and 2.5 V vs. Li/Li + at a current density of 1 mA cm -2, the LiAl 0.15Co 0.85O 2 cathode exhibits reversible capacity of 160 mA h g -1 initially. XRD of the cathode made at the end of 10 cycles reveals no significant change on host structure.

Synthesis, structure, and magnetic properties of new layered phosphate halides Sr2Cu5(PO4)4X2·8H2O (X = Cl, Br) with a crown-like building unit.

PubMed

Qiu, Chaoqun; He, Zhangzhen; Cui, Meiyan; Tang, Yingying; Chen, Sihuai

2017-03-27

Two new compounds Sr 2 Cu 5 (PO 4 ) 4 X 2 ·8H 2 O (X = Cl and Br) are synthesized by a conventional hydrothermal method. Sr 2 Cu 5 (PO 4 ) 4 Cl 2 ·8H 2 O crystallizes in the tetragonal system with a space group of P42 1 2, while Sr 2 Cu 5 (PO 4 ) 4 Br 2 ·8H 2 O crystallizes in the space group P4/nmm, which are found to have a similar framework of layered structure, in which the crown-like {Cu 5 (PO 4 ) 4 X 2 } building units connect to each other forming a 2D corrugated sheet with vacancies, while the Sr 2+ cations are located along the vacancies. The spin lattice of two compounds built by Cu 2+ ions shows a new type of corrugated square. Magnetic measurements confirmed that both Sr 2 Cu 5 (PO 4 ) 4 X 2 ·8H 2 O (X = Cl and Br) exhibit antiferromagnetic ordering at low temperatures. A fit of theoretical model shows exchange interaction J = -25.62 K for the Cl-analogue and J/k B = -26.47 K for the Br-analogue.

18. (4"X5" image enlarged from 2 1/4" negative) Sam Fowler, ...

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

18. (4"X5" image enlarged from 2 1/4" negative) Sam Fowler, Photographer, February 1998 VIEW OF GEORGIA DOT BRIDGE NO. 051-00025D-01986N (JAMES P. HOULIHAN BRIDGE) APPROACH SPAN FENDER. DOLPHIN LOCATED AT RIGHT. NAVIGATIONAL LIGHT LOCATED ON TOP OF FENDER - Georgia DOT Bridge No. 051-00025D-01986N, US 17 & State Route 25 Spanning Savannah River, Port Wentworth, Chatham County, GA

EPR spectroscopic investigations in 15BaO-25Li2O-(60-x) B2O3-xFe2O3 glass system

NASA Astrophysics Data System (ADS)

Bhogi, Ashok; Kumar, R. Vijaya; Kistaiah, P.

2018-05-01

Glasses with composition 15BaO-25Li2O-(60-x) B2O3 -xFe2O3 (x = 0, 0.2, 0.4, 0.6, 0.8 and 1 mol %) were prepared by the conventional melt quenching technique. These glasses were characterized using X-ray diffraction (XRD). Electron paramagnetic resonance (EPR) investigations have been carried out as a function of iron ion concentration. The observed EPR spectra of Fe3+ ion exhibits resonance signals at g= 2.0, 4.3 and 8.0. The resonance signal at g= 4.3 is due to isolated Fe3+ ions in site with rhombic symmetry where as the g= 2.0 resonance signal is attributed to the Fe3+ ions coupled by exchange interaction in a distorted octahedral environment and the signal at g= 8.0 arises from axially distorted sites. The number of spins participating in resonance (N) and its paramagnetic susceptibilities (χ) have also been evaluated. The peak-to-peak line width ΔB for the resonance lines at g ≈ 4.3 and at g ≈ 2.0 is increasing as function of the iron ion content. The line intensity of the resonance centered at g ≈ 4.3 and at g ≈ 2.0 increases up to 0.8 mol% of Fe2O3 and for 1 mol% of Fe2O3 its value is found to decrease. The analysis of these results indicated that the conversion some of Fe3+ cations to Fe2+ ions beyond 0.8 mol%.

20. (4"X5" image enlarged from 2 1/4" negative) Sam Fowler, ...

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

20. (4"X5" image enlarged from 2 1/4" negative) Sam Fowler, Photographer, February 1998 VIEW OF GEORGIA DOT BRIDGE NO. 051-00025D-01986N (JAMES P. HOULIHAN BRIDGE). DETAIL OF FENDER SYSTEM FOR TURN-SPAN PIVOT PIER. OPERATOR'S HOUSE LOCATED ON UPPER SECTION OF TRUSS - Georgia DOT Bridge No. 051-00025D-01986N, US 17 & State Route 25 Spanning Savannah River, Port Wentworth, Chatham County, GA

Thermodynamic Stability of Transition Metal Substituted LiMn 2-xMxO 4 (M=Cr, Fe, Co, and Ni) Spinels

NASA Astrophysics Data System (ADS)

Lai, Chenying

The formation enthalpies from binary oxides of LiMn2O 4, LiMn2-xCrxO4 (x = 0.25, 0.5, 0.75 and 1), LiMn2-xFexO4 (x = 0.25 and 0.5), LiMn2-xCoxO4 (x = 0.25, 0.5, and 0.75) and LiMn1.75Ni 0.25O4 at 25 °C have been measured by high-temperature oxide-melt-solution calorimetry and were found to be strongly exothermic. Increasing Cr, Co and Ni content leads to more thermodynamically stable spinels, but increasing Fe content does not significantly affect the stability. The formation enthalpies from oxides of the fully substituted spinels, LiMnMO 4 (M = Cr, Fe and Co) become more exothermic (implying increasing stability) with decreasing ionic radius of the metal and lattice parameters of the spinel. The trend in enthalpy versus metal content is roughly linear, suggesting a close-to-zero heat of mixing in LiMn2O4 - LiMnMO 4 solid solutions. These data confirm that transition metal doping is beneficial for stabilizing these potential cathode materials for lithium-ion batteries.

New organic superconductors beta-(BDA-TTP)2X [BDA-TTP + 2,5-bis(1,3-dithian-2ylidene)-1,3,4,6-tetrathiapentalene; X(-) = SbF6(-), AsF6(-), and PF6(-)].

PubMed

Yamada, J; Watanabe, M; Akutsu, H; Nakatsuji, S; Nishikawa, H; Ikemoto, I; Kikuchi, K

2001-05-09

The synthesis, electrochemical properties, and molecular structure of a new pi-electron donor, 2,5-bis(1,3-dithian-2-ylidene)-1,3,4,6-tetrathiapentalene (BDA-TTP), is described. In contrast to the hitherto-known tetrachalcogenafulvalene pi-donors providing organic superconductors, this donor contains only the bis-fused 1,3-dithiole-2-ylidene unit as a pi-electron system, yet produces a series of ambient-pressure superconductors beta-(BDA-TTP)2X [X = SbF6 (magnetic T(c) = 6.9 K, resistive T(c) = 7.5 K), AsF6 (magnetic T(c) = 5.9 K, resistive T(c) = 5.8 K), and PF6 (magnetic T(c) = 5.9 K)], which are isostructural. The values of the intermolecular overlap integrals calculated on the donor layers of these superconductors suggest a two-dimensional (2D) electronic structure with loose donor packing. Tight-binding band calculations also indicate that these superconductors have the 2D band dispersion relations and closed Fermi surfaces.

Thermal expansion of phosphates with the NaZr{sub 2}(PO{sub 4}){sub 3} structure containing lanthanides and zirconium: R{sub 0.33}Zr{sub 2}(PO{sub 4}){sub 3} (R = Nd, Eu, Er) and Er{sub 0.33(1–x)} Zr{sub 0.25x}Zr{sub 2}(PO{sub 4}){sup 3}

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

Volgutov, V. Yu., E-mail: Valeriy.Volgutov@inbox.ru; Orlova, A. I.

Phosphates R{sub 0.33}Zr{sub 2}(PO{sub 4}){sub 3} (R = Nd, Eu, or Er) and Er{sub 0.33(1–x)}Zr{sub 0.25}Zr{sub 2}(PO{sub 4}){sub 3} (x = 0, 0.25, 0.5, 0.75, 1.0) of the NaZr{sub 2}(PO{sub 4}){sub 3} family have been synthesized and investigated by high-temperature X-ray diffraction. The crystallochemical approach is used to obtain compounds with expected small and controllable thermal-expansion parameters. Phosphates with close-to-zero thermal-expansion parameters, including those with low thermal-expansion anisotropy, have been obtained: Nd{sub 0.33}Zr{sub 2}(PO{sub 4}){sub 3} with α{sub a} =–2.21 × 10{sup −6} °C{sup −1}, α{sub c} = 0.81 × 10{sup −6} °C{sup −1}, and Δα = 3.02 × 10{supmore » −6} °C{sup –1} and Er{sub 0.08}Zr{sub 0.19}Zr{sub 2}(PO{sub 4}){sub 3} with α{sub a} =–1.86 × 10{sup −6} °C{sup −1}, α{sub c} = 1.73 × 10{sup −6} °C{sup −1}, and Δα = 3.58 × 10{sup −6} °C{sup −1}.« less

2,5-dimethylthiophene coordination to three metal centers in (. eta. sup 4 ,S-. mu. sub 3 -2,5-Me sub 2 T)(IrCp sup * )(Mo(CO) sub 2 Cp) sub 2

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

Chen, Jiabi; Angelici, R.J.

1990-03-01

The reaction of Cp{sup *}Ir({eta}{sup 4}-2,5-Me{sub 2}T), where {eta}{sup 4}-2,5-Me{sub 2}T is 2,5-dimethylthiophene coordinated through the four ring carbons, with Cp(CO){sub 2}Mo{triple bond}Mo(CO){sub 2}Cp gives ({eta}{sup 4},S-{mu}{sub 3}-2,5-Me{sub 2}T)(IrCp{sup *})(Mo(CO){sub 2}Cp){sub 2}, in which the bridging thiophene is {eta}{sup 4}-coordinated to the Ir and bonded via the sulfur to both Mo atoms. The same product is obtained from the ring-opened isomer of Cp{sup *}Ir(2,5-Me{sub 2}T). The structure of the product, which is the first example of a thiophene coordinated to three metal centers, was established by X-ray crystallography.

Hybrid Ag 2VO 2PO 4/CF x as a High Capacity and Energy Cathode for Primary Batteries

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

Li, Yue Ru; Bruck, Andrea M.; Brady, Alexander B.

In this report, we describe the electrochemistry of hybrid dual silver vanadium phosphorus oxide/carbon fluoride (Ag 2VO 2PO 4/CF x) cathodes with various weight ratios. Through modification of the Ag 2VO 2PO 4/CF x ratio, we can control the gravimetric and volumetric capacity, as well as mitigate the voltage drop during high current pulses. The increase in impedance caused by irreversible LiF formation in CFx was reduced by the silver reduction-displacement during electrochemical discharge of the Ag 2VO 2PO 4. Moreover, the addition of graphite was shown to reduce initial voltage delay. When Ag 2VO 2PO 4 dominates the electrodemore » mass (i.e. 75/25 Ag 2VO 2PO 4/CF x) in the hybrid cathode, pulse testing shows less voltage drop and delay, but at the expense of capacity and energy density. As the amount of CFx in the composite increases (i.e. Ag 2VO 2PO 4/CF x ratio of to 50/50 or 25/75), charge capacity and energy density increases, but at the expense of larger voltage drops and delays early in the discharge process. Thus, controlling the Ag 2VO 2PO 4/CF x ratio can be used to tune the electrochemical properties of the dual cathode, allowing for optimization of capacity and power depending on the application.« less

Hybrid Ag 2VO 2PO 4/CF x as a High Capacity and Energy Cathode for Primary Batteries

DOE PAGES

Li, Yue Ru; Bruck, Andrea M.; Brady, Alexander B.; ...

2017-08-18

In this report, we describe the electrochemistry of hybrid dual silver vanadium phosphorus oxide/carbon fluoride (Ag 2VO 2PO 4/CF x) cathodes with various weight ratios. Through modification of the Ag 2VO 2PO 4/CF x ratio, we can control the gravimetric and volumetric capacity, as well as mitigate the voltage drop during high current pulses. The increase in impedance caused by irreversible LiF formation in CFx was reduced by the silver reduction-displacement during electrochemical discharge of the Ag 2VO 2PO 4. Moreover, the addition of graphite was shown to reduce initial voltage delay. When Ag 2VO 2PO 4 dominates the electrodemore » mass (i.e. 75/25 Ag 2VO 2PO 4/CF x) in the hybrid cathode, pulse testing shows less voltage drop and delay, but at the expense of capacity and energy density. As the amount of CFx in the composite increases (i.e. Ag 2VO 2PO 4/CF x ratio of to 50/50 or 25/75), charge capacity and energy density increases, but at the expense of larger voltage drops and delays early in the discharge process. Thus, controlling the Ag 2VO 2PO 4/CF x ratio can be used to tune the electrochemical properties of the dual cathode, allowing for optimization of capacity and power depending on the application.« less

Two-photon momentum density in La2-xSrxCuO4 and Nd2-xCexCuO4

NASA Astrophysics Data System (ADS)

Blandin, P.; Massidda, S.; Barbiellini, B.; Jarlborg, T.; Lerch, P.; Manuel, A. A.; Hoffmann, L.; Gauthier, M.; Sadowski, W.; Walker, E.; Peter, M.; Yu, Jaejun; Freeman, A. J.

1992-07-01

We present calculations of the electron-positron momentum density for the high-Tc superconductors La2-xSrxCuO4 and Nd2-xCexCuO4, together with experimental two-dimensional angular correlation of annihilation radiation (2D-ACAR) for Nd2-xCexCuO4. The calculations are based on first-principles electronic structure obtained using the full-potential linearized augmented-plane-wave and the linear muffin-tin orbital methods. Our results indicate a non-negligible overlap of the positron wave function with the CuO2 plane electrons responsible for the Fermi surfaces in these compounds. Therefore, these compounds may be well suited for investigating Fermi-surface-related effects. After the folding of umklapp terms according to Lock, Crisp, and West, the predicted Fermi-surface breaks are mixed with strong effects induced by the positron wave function in La2-xSrxCuO4, while their resolution is better in Nd2-xCexCuO4. A comparison of our calculations with the most recent experimental results for La2-xSrxCuO4 shows good agreement. For Nd2-xCexCuO4 good agreement is observed between theoretical and experimental 2D-ACAR profiles.

Preparation and investigation of GaxGe25As15Se60-x (x = 1 ÷ 5) glasses

NASA Astrophysics Data System (ADS)

Shiryaev, V. S.; Karaksina, E. V.; Velmuzhov, A. P.; Sukhanov, M. V.; Kotereva, T. V.; Plekhovich, A. D.; Churbanov, M. F.; Filatov, A. I.

2017-05-01

Chalcogenide glasses of GaxGe25As15Se60-x (x = 0; 1; 2; 3; 4; 5) compositions are prepared; their transmission range, optical band gap energy, thermal properties and stability against crystallization are studied. It is shown that these glasses have a high transparency in the mid-IR region (from 0.8 to 15 μm), a high glass transition temperature (≥320 °C) and a low tendency to crystallize. The optical band gap energy of GaxGe25As15Se60-x (x = 0; 1; 2; 3; 4; 5) glasses decreases from 1.68 to 1.43 eV as the gallium content increases and the selenium decreases. Their glass network, according to IR spectroscopy data, consists of Ge(Se1/2)4 tetrahedrons and AsSe3/2 pyramids. The Ga2Ge25As15Se58 and Ga3Ge25As15Se57 glasses have highest stability against crystallization. The content of hydrogen and oxygen impurities in the purest glass samples, fabricated using a combination of chemical distillation purification method and vapor transport reaction technique, does not exceed 0.06 ppm (wt) and 0.5 ppm (wt), respectively.

Phase transition in the (Li 0.5-( x/2) K 0.5-( x/2) Cs x) 2SO 4 system

NASA Astrophysics Data System (ADS)

Hamed, A. E.; El-Aziz, Y. M. Abd.; Madi, N. K.; Kassem, M. E.

1995-12-01

Phase transition in the (Li 0.5-( x/2) K 0.5-( x/2) Cs x) 2SO 4 system was studied by measuring the specific heat at constant pressure, C p, as a function of temperature in the temperature range 300-800 K. For non-zero values of X ( X = 0.2%, 0.5%, 1% and 2%) the critical behaviour of the phase transition was found to change considerably compared with that of X = 0 or pure LiKSO 4. The observed change in the phase transition with increase of Cs 2SO 4 content ( X) was accompanied by a decrease in the thermodynamic parameters: the value of the specific heat at the transition point (Δ C P) max, the transition temperature, T1, and the value of the energy of ordering. The results were interpreted within the Landau thermodynamic theory of the phase transition.

The P2X4 purinergic receptor regulates hepatic myofibroblast activation during liver fibrogenesis.

PubMed

Le Guilcher, Camille; Garcin, Isabelle; Dellis, Olivier; Cauchois, Florent; Tebbi, Ali; Doignon, Isabelle; Guettier, Catherine; Julien, Boris; Tordjmann, Thierry

2018-05-23

Liver fibrosis is characterized by the accumulation of extracellular matrix produced by hepatic myofibroblasts (hMF), the activation of which is critical to the fibrogenic process. Extracellular adenosine triphosphate, released by dying or stressed cells, and its purinergic receptors, constitute a powerful signaling network after injury. Although the P2X4 purinergic receptor (P2X4) is highly expressed in the liver, its functions in hMF had never been investigated during liver fibrogenesis. In vivo, bile duct ligation (BDL) and methionine- and choline-deficient (MCD) diet were performed in WT and P2X4 knock-out (P2X4-KO) mice. In vitro, hMF were isolated from mouse (WT and P2X4-KO) and human liver. P2X4 pharmacological inhibition (in vitro and in vivo) and P2X4 siRNAs (in vitro) were used. Histological, biochemical and cell culture analysis allowed us to study P2X4 expression and its involvement in the regulation of fibrogenic and fibrolytic factors, as well as of hMF activation markers and properties. P2X4 genetic invalidation or pharmacological inhibition protected mice from liver fibrosis and hMF accumulation after BDL or MCD diet. Human and mouse hMF expressed P2X4, mainly in lysosomes. Invalidation of P2X4 in human and mouse hMF blunted their activation marker expression and their fibrogenic properties. We finally showed that P2X4 regulates calcium entry and lysosomal exocytosis in hMF, with impact on ATP release, pro-fibrogenic secretory profile, and on transcription factor activation. P2X4 expression and activation is critical for hMF to sustain their activated and fibrogenic phenotype. Therefore, the inactivation of P2X4 may be of therapeutic interest during liver fibrotic diseases. During chronic injury, the liver often repairs with fibrotic tissue for which there is currently no treatment. We found that a previously unexplored pathway involving the purinergic receptor "P2X4", can modulate fibrotic liver repair, and could be considered for future

Detailed magnetic and structural analysis mapping a robust magnetic C 4 dome in Sr 1 - x Na x Fe 2 As 2

DOE PAGES

Taddei, K. M.; Allred, J. M.; Bugaris, D. E.; ...

2016-04-20

The recently discovered C 4 tetragonal magnetic phase in hole-doped members of the iron-based superconductors provides new insights into the origin of unconventional superconductivity. Previously observed in Ba 1-xNa xFe 2As 2 (with A = K, Na), the C 4 magnetic phase exists within the well studied C 2 spin-density wave (SDW) dome, arising just before the complete suppression of antiferromagnetic (AFM) order but after the onset of superconductivity. Here in this paper, we present detailed x-ray and neutron diffraction studies of Sr 1-xNa xFe 2As 2 (0.10 ≤ x ≤ 0.60) to determine their structural evolution and the extentmore » of the C 4 phase. Spanning Δx ~ 0.14 in composition, the C 4 phase is found to extend over a larger range of compositions, and to exhibit a significantly higher transition temperature, T r ~ 65K, than in either of the other systems in which it has been observed. The onset of this phase is seen near a composition (x~0:30) where the bonding angles of the Fe 2As 2 layers approach the perfect 109.46° tetrahedral angle. We discuss the possible role of this return to a higher symmetry environment for the magnetic iron site in triggering the magnetic reorientation and the coupled re-entrance to the tetragonal structure. Finally, we present a new phase diagram, complete with the C 4 phase, and use its observation in a third hole-doped 122 system to suggest the universality of this phase.« less

4 channels x 10-Gbps optoelectronic transceiver based on silicon optical bench technology

NASA Astrophysics Data System (ADS)

Chen, Chin T.; Hsiao, Hsu L.; Chang, Chia. C.; Shen, Po K.; Lu, Guan F.; Lee, Yun C.; Chang, Shou F.; Lin, Yo S.; Wu, Mount L.

2012-01-01

In this paper, a bi-directional 4-channel x 10-Gbps optoelectronic transceiver based on this silicon optical bench (SiOB) technology is developed. A bi-directional optical sub-assembly (BOSA), fiber ribbon assembly, PCB with high frequency trace design, transmitter driver, and receiver TIA IC are included in this transceiver. The BOSA and PCB also have some specific design for conventional chip-on-board (COB) process. In eye diagram measurement, the transmitter can pass 10-G Ethernet eye mask with 25% margin at room temperature; Bit-error-rate (BER) performance from the transmitter to receiver via 10-meter fiber can achieve 10-12 order, which confirm the transceiver's ability of 10-Gbps data transmission per a channel.

Durability of the Li 1+xTi 2–xAl x(PO 4) 3 Solid Electrolyte in Lithium–Sulfur Batteries

DOE PAGES

Wang, Shaofei; Ding, Yu; Zhou, Guangmin; ...

2016-10-31

Adoption of cells with a solid-state electrolyte is a promising solution for eliminating the polysulfide shuttle problem in Li-S batteries. Among the various known lithium-ion conducting solid electrolytes, the sodium superionic conductor (NASICON)-type Li 1+xTi 2-xAl x(PO 4) 3 offers the advantage of good stability under ambient conditions and in contact with air. Accordingly, we present here a comprehensive assessment of the durability of Li 1+xTi 2-xAl x(PO 4) 3 in contact with polysulfide solution and in Li-S cells. Because of its high reduction potential (2.5 V vs Li/Li +), Li 1+xTi 2-xAl x(PO 4) 3 gets lithiated in contactmore » with lithium polysulfide solution and Li 2CO 3 is formed on the particle surface, blocking the interfacial lithium-ion transport between the liquid and solid-state electrolytes. After the lithium insertion into the NASICON framework, the crystal expands in an anisotropic way, weakening the crystal bonds, causing fissures and resultant cracks in the ceramic, corroding the grain boundaries by polysulfide solution, and leaving unfavorable pores. The assembly of pores creates a gateway for polysulfide diffusion from the cathode side to the anode side, causing an abrupt decline in cell performance. Therefore, the solid-state electrolytes need to have good chemical compatibility with both the electrode and electrolyte, long-term stability under harsh chemical environment, and highly stable grain boundaries.« less

Thermal and electrochemical behavior of Cu{sub 4−x}Li{sub x}S{sub 2} (x=1, 2, 3) phases

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

Chen, Erica M.; Poudeu, Pierre F.P., E-mail: ppoudeup@umich.edu

Several compositions of the Cu{sub 4−x}Li{sub x}S{sub 2} (x=1, 2, 3) series were synthesized via solid-state reaction of the elements. The structural stability at various temperatures and the effect of Li:Cu ratio on the thermal conductivity and the electrochemical performance of Cu{sub 4−x}Li{sub x}S{sub 2}/Li half-cells during charge–discharge process were investigated. Differential scanning calorimetry (DSC) measurements showed a sharp endothermic peak at 140 °C for Cu{sub 4−x}Li{sub x}S{sub 2} samples with x=1 and 2, which is ascribed to a structural phase transition. X-ray diffraction (XRD) measurements on various Cu{sub 4−x}Li{sub x}S{sub 2} samples at temperatures below and above 140 °Cmore » indicated a structural phase transition from the room temperature low-symmetry structure to the high temperature cubic structure of Cu{sub 2}S. The thermal conductivity of Cu{sub 4−x}Li{sub x}S{sub 2} samples decreases with decreasing Cu:Li ratio and with increasing temperature. The thermal conductivity of Cu{sub 4−x}Li{sub x}S{sub 2} samples at room temperature decreases from 1.2 W/m K for Cu:Li=3:1 to 0.7 W/m K for Cu:Li=1:3. Cyclic voltammetry of Cu{sub 4−x}Li{sub x}S{sub 2}/Li half-cells showed that high discharge capacity (165 mA h g{sup −1}) and stable reversible charge–discharge process is observed for Cu:Li=2:2, whereas other Cu:Li ratios lead to low discharge capacity and poor reversibility. The electrochemical behavior of Cu{sub 4−x}Li{sub x}S{sub 2}/Li half-cells is rationalized by taking into account the competing reactions of Li{sup +} ions with CuS and Cu{sub 2}S during discharge. - Graphical abstract: Tuning Li content in Cu{sub 4−x}Li{sub x}S{sub 2}/Li half-cells to maintain a Cu/Li ratio equal to unity affords maximum capacity and high stability of the charge–discharge process. - Highlights: • Cu:Li ratio strongly influenced crystal structure and properties of Cu{sub 4-x}Li{sub x}S{sub 2}. • Compositions with x = 1 and

40 CFR 721.1050 - Benzenamine, 2,5-dibutoxy-4-(4-morpholinyl)-, sulfate.

Code of Federal Regulations, 2014 CFR

2014-07-01

...-morpholinyl)-, sulfate. 721.1050 Section 721.1050 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.1050 Benzenamine, 2,5-dibutoxy-4-(4-morpholinyl)-, sulfate. (a) Chemical... benzenamine, 2,5-dibutoxy-4-(4-morpholinyl), sulfate (PMN P-90-1809; CAS number 130169-66-3) is subject to...

40 CFR 721.1050 - Benzenamine, 2,5-dibutoxy-4-(4-morpholinyl)-, sulfate.

Code of Federal Regulations, 2013 CFR

2013-07-01

...-morpholinyl)-, sulfate. 721.1050 Section 721.1050 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.1050 Benzenamine, 2,5-dibutoxy-4-(4-morpholinyl)-, sulfate. (a) Chemical... benzenamine, 2,5-dibutoxy-4-(4-morpholinyl), sulfate (PMN P-90-1809; CAS number 130169-66-3) is subject to...

40 CFR 721.1050 - Benzenamine, 2,5-dibutoxy-4-(4-morpholinyl)-, sulfate.

Code of Federal Regulations, 2011 CFR

2011-07-01

...-morpholinyl)-, sulfate. 721.1050 Section 721.1050 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.1050 Benzenamine, 2,5-dibutoxy-4-(4-morpholinyl)-, sulfate. (a) Chemical... benzenamine, 2,5-dibutoxy-4-(4-morpholinyl), sulfate (PMN P-90-1809; CAS number 130169-66-3) is subject to...

40 CFR 721.1050 - Benzenamine, 2,5-dibutoxy-4-(4-morpholinyl)-, sulfate.

Code of Federal Regulations, 2010 CFR

2010-07-01

...-morpholinyl)-, sulfate. 721.1050 Section 721.1050 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.1050 Benzenamine, 2,5-dibutoxy-4-(4-morpholinyl)-, sulfate. (a) Chemical... benzenamine, 2,5-dibutoxy-4-(4-morpholinyl), sulfate (PMN P-90-1809; CAS number 130169-66-3) is subject to...

40 CFR 721.1050 - Benzenamine, 2,5-dibutoxy-4-(4-morpholinyl)-, sulfate.

Code of Federal Regulations, 2012 CFR

2012-07-01

...-morpholinyl)-, sulfate. 721.1050 Section 721.1050 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY... Specific Chemical Substances § 721.1050 Benzenamine, 2,5-dibutoxy-4-(4-morpholinyl)-, sulfate. (a) Chemical... benzenamine, 2,5-dibutoxy-4-(4-morpholinyl), sulfate (PMN P-90-1809; CAS number 130169-66-3) is subject to...

Anomalous reduction in the long-time flux creep relaxation in superconducting Ca10(Pt4As8)((Fe1‑x Pt x )2As2)5 (x ≈ 0.05) single crystals

NASA Astrophysics Data System (ADS)

Haberkorn, N.; Huang, Silu; Jin, R.

2018-06-01

We report the vortex dynamics of superconducting a Ca10(Pt4As8)((Fe1‑x Pt x )2As2)5 (x ≈ 0.05) single crystal with T c = 26 K investigated by performing magnetic measurements. The field dependence of the magnetization displays a second peak (SPM), typically related to a crossover between elastic and plastic vortex relaxation in a weak pinning scenario. Long-time flux creep relaxation measurements for fields smaller that of the SPM show that the vortex dynamics can be separated in two different regions. For magnetic fields smaller than the lower end of the SPM, glassy relaxation (with a characteristic glassy exponent μ) is observed. For magnetic fields between the lower end and the SPM, the flux creep rate decreases systematically to values below to the ones predicted by the collective theory. This effect can be understood by considering a stable vortex lattice configuration. As the field position of the SPM can be adjusted by modifying the quenched potential, our results suggest that extremely low flux creep relaxation rate may be tuned in many other superconducting materials.

A P25/(NH4)xWO3 hybrid photocatalyst with broad spectrum photocatalytic properties under UV, visible, and near-infrared irradiation

NASA Astrophysics Data System (ADS)

Yang, Linfen; Liu, Bin; Liu, Tongyao; Ma, Xinlong; Li, Hao; Yin, Shu; Sato, Tsugio; Wang, Yuhua

2017-04-01

In this study, a series of hybrid nanostructured photocatalysts P25/(NH4)xWO3 nanocomposites with the average crystallite size of P25 and (NH4)xWO3 of the sample was calculated to be about 30 nm and 130 nm, were successfully synthesized via a simple one-step hydrothermal method. The as-obtained samples was characterized by transmission electron microscopy (TEM), which implies that the P25/(NH4)xWO3 nanocomposites are fabricated with favourable nanosizd interfacial. The XPS results confirmed that the obtained sample consists of mixed chemical valences of W5+ and W6+, the low-valance W5+ sites could be the origin of NIR absorption. As revealed by optical absorption results, P25/(NH4)xWO3 nanocomposites possess high optical absorption in the whole solar spectrum of 200-2500 nm. Benefiting from this unique photo-absorption property and the synergistic effect of P25 and (NH4)xWO3, broad spectrum response photocatalytic activities covering UV, visible and near infrared regions on degradation of Rhodamine B have been realized by P25/(NH4)xWO3 nanocomposites. Meanwhile, the stability of photocatalysts was examined by the XRD and XPS of the photocatalysts after the reaction. The results show that P25/(NH4)xWO3 photocatalysts has a brilliant application prospect in the energy utilization to solve deteriorating environmental issues.

A P25/(NH4)xWO3 hybrid photocatalyst with broad spectrum photocatalytic properties under UV, visible, and near-infrared irradiation

PubMed Central

Yang, Linfen; Liu, Bin; Liu, Tongyao; Ma, Xinlong; Li, Hao; Yin, Shu; Sato, Tsugio; Wang, Yuhua

2017-01-01

In this study, a series of hybrid nanostructured photocatalysts P25/(NH4)xWO3 nanocomposites with the average crystallite size of P25 and (NH4)xWO3 of the sample was calculated to be about 30 nm and 130 nm, were successfully synthesized via a simple one-step hydrothermal method. The as-obtained samples was characterized by transmission electron microscopy (TEM), which implies that the P25/(NH4)xWO3 nanocomposites are fabricated with favourable nanosizd interfacial. The XPS results confirmed that the obtained sample consists of mixed chemical valences of W5+ and W6+, the low-valance W5+ sites could be the origin of NIR absorption. As revealed by optical absorption results, P25/(NH4)xWO3 nanocomposites possess high optical absorption in the whole solar spectrum of 200–2500 nm. Benefiting from this unique photo-absorption property and the synergistic effect of P25 and (NH4)xWO3, broad spectrum response photocatalytic activities covering UV, visible and near infrared regions on degradation of Rhodamine B have been realized by P25/(NH4)xWO3 nanocomposites. Meanwhile, the stability of photocatalysts was examined by the XRD and XPS of the photocatalysts after the reaction. The results show that P25/(NH4)xWO3 photocatalysts has a brilliant application prospect in the energy utilization to solve deteriorating environmental issues. PMID:28368032

A P25/(NH4)xWO3 hybrid photocatalyst with broad spectrum photocatalytic properties under UV, visible, and near-infrared irradiation.

PubMed

Yang, Linfen; Liu, Bin; Liu, Tongyao; Ma, Xinlong; Li, Hao; Yin, Shu; Sato, Tsugio; Wang, Yuhua

2017-04-03

In this study, a series of hybrid nanostructured photocatalysts P25/(NH 4 ) x WO 3 nanocomposites with the average crystallite size of P25 and (NH 4 ) x WO 3 of the sample was calculated to be about 30 nm and 130 nm, were successfully synthesized via a simple one-step hydrothermal method. The as-obtained samples was characterized by transmission electron microscopy (TEM), which implies that the P25/(NH 4 ) x WO 3 nanocomposites are fabricated with favourable nanosizd interfacial. The XPS results confirmed that the obtained sample consists of mixed chemical valences of W 5+ and W 6+ , the low-valance W 5+ sites could be the origin of NIR absorption. As revealed by optical absorption results, P25/(NH 4 ) x WO 3 nanocomposites possess high optical absorption in the whole solar spectrum of 200-2500 nm. Benefiting from this unique photo-absorption property and the synergistic effect of P25 and (NH 4 ) x WO 3 , broad spectrum response photocatalytic activities covering UV, visible and near infrared regions on degradation of Rhodamine B have been realized by P25/(NH 4 ) x WO 3 nanocomposites. Meanwhile, the stability of photocatalysts was examined by the XRD and XPS of the photocatalysts after the reaction. The results show that P25/(NH 4 ) x WO 3 photocatalysts has a brilliant application prospect in the energy utilization to solve deteriorating environmental issues.

Comets C/2003 X5-X11 and Y2-Y10 (SOHO)

NASA Astrophysics Data System (ADS)

Battams, K.; Boschat, M.; Zhou, X.-M.; Hoffman, T.; Leprette, X.; Matson, R.; Kracht, R.; Sachs, J.; Marsden, B. G.; Kisala, R.

2004-06-01

Further to IAUC 8356, K. Battams reports measurements for additional Kreutz sungrazing comets found on SOHO website C2 images by M. Boschat (C/2003 X5, X7, Y5, Y8), X.-m. Zhou (C/2003 X6, X9, X11), T. Hoffman (C/2003 X8), X. Leprette (C/2003 X10, Y2), R. Matson (2003 Y3, Y9, Y10), R. Kracht (C/2003 Y4, Y7), and J. Sachs (C/2003 Y6). C/2003 Y6 and Y7 were also visible on C3 images. The reductions by B. G. Marsden (and by R. Kisala for C/2003 Y8, Y9, Y10) and orbital elements by Marsden appear on the MPECs cited below. Comet 2003 UT R.A. (2000) Decl. MPEC C/2003 X5 Dec. 4.896 16 46.9 -24 12 2004-L24 C/2003 X6 6.396 16 52.2 -24 20 2004-L24 C/2003 X7 7.829 16 58.6 -24 27 2004-L24 C/2003 X8 8.246 17 00.9 -24 31 2004-L24 C/2003 X9 8.621 17 02.2 -24 34 2004-L24 C/2003 X10 11.188 17 14.5 -24 41 2004-L25 C/2003 X11 13.588 17 25.7 -24 57 2004-L25 C/2003 Y2 19.621 17 53.6 -25 08 2004-L25 C/2003 Y3 19.979 17 55.0 -25 02 2004-L25 C/2003 Y4 20.729 17 58.8 -25 14 2004-L25 C/2003 Y5 22.771 18 08.5 -25 08 2004-L25 C/2003 Y6 23.571 18 14.3 -27 22 2004-L26 C/2003 Y7 24.638 18 20.0 -27 44 2004-L26 C/2003 Y8 25.288 18 19.6 -25 00 2004-L67 C/2003 Y9 25.479 18 20.7 -24 46 2004-L67 C/2003 Y10 26.064 18 23.5 -24 50 2004-L67

Final screening round of the NELSON lung cancer screening trial: the effect of a 2.5-year screening interval.

PubMed

Yousaf-Khan, Uraujh; van der Aalst, Carlijn; de Jong, Pim A; Heuvelmans, Marjolein; Scholten, Ernst; Lammers, Jan-Willem; van Ooijen, Peter; Nackaerts, Kristiaan; Weenink, Carla; Groen, Harry; Vliegenthart, Rozemarijn; Ten Haaf, Kevin; Oudkerk, Matthijs; de Koning, Harry

2017-01-01

In the USA annual lung cancer screening is recommended. However, the optimal screening strategy (eg, screening interval, screening rounds) is unknown. This study provides results of the fourth screening round after a 2.5-year interval in the Dutch-Belgian Lung Cancer Screening trial (NELSON). Europe's largest, sufficiently powered randomised lung cancer screening trial was designed to determine whether low-dose CT screening reduces lung cancer mortality by ≥25% compared with no screening after 10 years of follow-up. The screening arm (n=7915) received screening at baseline, after 1 year, 2 years and 2.5 years. Performance of the NELSON screening strategy in the final fourth round was evaluated. Comparisons were made between lung cancers detected in the first three rounds, in the final round and during the 2.5-year interval. In round 4, 46 cancers were screen-detected and there were 28 interval cancers between the third and fourth screenings. Compared with the second round screening (1-year interval), in round 4 a higher proportion of stage IIIb/IV cancers (17.3% vs 6.8%, p=0.02) and higher proportions of squamous-cell, bronchoalveolar and small-cell carcinomas (p=0.001) were detected. Compared with a 2-year interval, the 2.5-year interval showed a higher non-significant stage distribution (stage IIIb/IV 17.3% vs 5.2%, p=0.10). Additionally, more interval cancers manifested in the 2.5-year interval than in the intervals of previous rounds (28 vs 5 and 28 vs 19). A 2.5-year interval reduced the effect of screening: the interval cancer rate was higher compared with the 1-year and 2-year intervals, and proportion of advanced disease stage in the final round was higher compared with the previous rounds. ISRCTN63545820. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/.

Structure and properties of hopeites (Mg xZn 1- x) 3(PO 4) 2 · 4H 2O

NASA Astrophysics Data System (ADS)

Haussühl, S.; Middendorf, B.; Dörffel, M.

1991-07-01

Mg-hopeites (Mg xZn 1- x) 3(PO 4) 2 · 4H 2O were prepared by crystallization from hot aqueous solutions (70°C). The structure of (Mg 0.206Zn 0.794) 3(PO 4) 2 · 4H 2O has been determined from 1612 unique reflections (MoKα, R = 0.033): Pnma, a1 = 10.594(2), a2 = 18.333(2), a3 = 5.029(2)Å, Z = 4, Dcalc = 2.943g cm -3. The structure resembles that of pure hopeite. However, the magnesium atoms occupy only the sixcoordinated site. The thermal behavior of hopeites is strongly influenced by the substitution of Zn by Mg. The dehydration range is shifted to higher temperatures with increasing Mg content. A strongly anisotropic thermal expansion was measured by X-ray diffraction in a temperature range of -40° to 50°C. Experiments to substitute Zn by Ca, Sr, and Ba in the hopeite failed. A hitherto unknown monoclinic phase with the composition BaZn 2(PO 4) 2 · H 2O and a1 = 4.707(2), a2 = 7.840(2), a3 = 8.061(3)Å, and α 2 = 88.99(4)° was found.

Window type: paired 2x4 multipaned steel windows flanked by 1x4 ...

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

Window type: paired 2x4 multipaned steel windows flanked by 1x4 multipaned steel casements, breaking building corner. Raised panel door front entry also illustrated. Ground floor detail Building 19, facing north - Harbor Hills Housing Project, 26607 Western Avenue, Lomita, Los Angeles County, CA

Magnetostructural phase transitions and magnetocaloric effect in (Gd 5-xSc x)Si 1.8Ge 2.2

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

Rudolph, Kirk; Pathak, Arjun K.; Mudryk, Yaroslav

Future advancements in magnetocaloric refrigeration/heat pumping technologies depend on the discovery of new materials that demonstrate large, tunable magnetocaloric effects (MCEs) in the vicinity of coupled magnetic and structural phase transitions that occur reversibly with minimum hysteresis. Here, with this in mind, we investigate phase transitions, microstructure, magnetic, thermal, magnetocaloric, and transport properties of (Gd 5-xSc x)Si 1.8Ge 2.2 compounds. Replacement of magnetic Gd with non-magnetic Sc in Gd 5-xSc xSi 1.8Ge 2.2 increases the ferromagnetic to paramagnetic first order phase transition temperature, T C, with only a minor reduction in MCE when x ≤ 0.2. We also demonstrate thatmore » hydrostatic pressure further increases T C and reduces the hysteresis of the first order phase transition in Gd 4.8Sc 0.2Si 1.8Ge 2.2 from 7 to 4 K. Temperature-dependent x-ray powder diffraction study of Gd 4.8Sc 0.2Si 1.8Ge 2.2 confirms the monoclinic ↔ orthorhombic structural transformation at T C, in agreement with magnetic, calorimetric, and electrical transport measurements. In addition to the substantial magnetocaloric effect, a large magnetoresistance of ~20% is also observed in Gd 4.8Sc 0.2Si 1.8Ge 2.2 for ΔH = 50 kOe in the vicinity of the magnetostructural transition. Finally, in a drastic reversal of the initial doping behavior further additions of Sc (x > 0.2) suppress formation of the monoclinic phase, change the nature of the transition from first-to second-order, and reduce both the transition temperature and magnetocaloric effect.« less

Magnetostructural phase transitions and magnetocaloric effect in (Gd 5-xSc x)Si 1.8Ge 2.2

DOE PAGES

Rudolph, Kirk; Pathak, Arjun K.; Mudryk, Yaroslav; ...

2017-12-21

Future advancements in magnetocaloric refrigeration/heat pumping technologies depend on the discovery of new materials that demonstrate large, tunable magnetocaloric effects (MCEs) in the vicinity of coupled magnetic and structural phase transitions that occur reversibly with minimum hysteresis. Here, with this in mind, we investigate phase transitions, microstructure, magnetic, thermal, magnetocaloric, and transport properties of (Gd 5-xSc x)Si 1.8Ge 2.2 compounds. Replacement of magnetic Gd with non-magnetic Sc in Gd 5-xSc xSi 1.8Ge 2.2 increases the ferromagnetic to paramagnetic first order phase transition temperature, T C, with only a minor reduction in MCE when x ≤ 0.2. We also demonstrate thatmore » hydrostatic pressure further increases T C and reduces the hysteresis of the first order phase transition in Gd 4.8Sc 0.2Si 1.8Ge 2.2 from 7 to 4 K. Temperature-dependent x-ray powder diffraction study of Gd 4.8Sc 0.2Si 1.8Ge 2.2 confirms the monoclinic ↔ orthorhombic structural transformation at T C, in agreement with magnetic, calorimetric, and electrical transport measurements. In addition to the substantial magnetocaloric effect, a large magnetoresistance of ~20% is also observed in Gd 4.8Sc 0.2Si 1.8Ge 2.2 for ΔH = 50 kOe in the vicinity of the magnetostructural transition. Finally, in a drastic reversal of the initial doping behavior further additions of Sc (x > 0.2) suppress formation of the monoclinic phase, change the nature of the transition from first-to second-order, and reduce both the transition temperature and magnetocaloric effect.« less

Identification and characterization of a selective allosteric antagonist of human P2X4 receptor channels.

PubMed

Ase, Ariel R; Honson, Nicolette S; Zaghdane, Helmi; Pfeifer, Tom A; Séguéla, Philippe

2015-04-01

P2X4 is an ATP-gated nonselective cation channel highly permeable to calcium. There is increasing evidence that this homomeric purinoceptor, which is expressed in several neuronal and immune cell types, is involved in chronic pain and inflammation. The current paucity of unambiguous pharmacological tools available to interrogate or modulate P2X4 function led us to pursue the search for selective antagonists. In the high-throughput screen of a compound library, we identified the phenylurea BX430 (1-(2,6-dibromo-4-isopropyl-phenyl)-3-(3-pyridyl)urea, molecular weight = 413), with antagonist properties on human P2X4-mediated calcium uptake. Patch-clamp electrophysiology confirmed direct inhibition of P2X4 currents by extracellular BX430, with submicromolar potency (IC50 = 0.54 µM). BX430 is highly selective, having virtually no functional impact on all other P2X subtypes, namely, P2X1-P2X3, P2X5, and P2X7, at 10-100 times its IC50. Unexpected species differences were noticed, as BX430 is a potent antagonist of zebrafish P2X4 but has no effect on rat and mouse P2X4 orthologs. The concentration-response curve for ATP on human P2X4 in the presence of BX430 shows an insurmountable blockade, indicating a noncompetitive allosteric mechanism of action. Using a fluorescent dye uptake assay, we observed that BX430 also effectively suppresses ATP-evoked and ivermectin-potentiated membrane permeabilization induced by P2X4 pore dilation. Finally, in single-cell calcium imaging, we validated its selective inhibitory effects on native P2X4 channels at the surface of human THP-1 cells that were differentiated into macrophages. In summary, this ligand provides a novel molecular probe to assess the specific role of P2X4 in inflammatory and neuropathic conditions, where ATP signaling has been shown to be dysfunctional. Copyright © 2015 by The American Society for Pharmacology and Experimental Therapeutics.

Manipulation of polar order in the "empty" tetragonal tungsten bronzes: Ba4-xSrxDy0.67□1.33Nb10O30, x = 0, 0.25, 0.5, 1, 2, 3

NASA Astrophysics Data System (ADS)

Gardner, Jonathan; Morrison, Finlay D.

2016-08-01

A series of "empty" tetragonal tungsten bronze (TTB) ferroelectrics, Ba4-xSrxDy0.67□1.33Nb10O30 (x = 0, 0.25, 0.5, 1, 2, 3; □ = vacancy), is reported. With increasing x the unit cell contracts in both the ab plane and c-axis; x ≤ 1 compounds are normal ferroelectrics (FE) with decreasing TC as x increases, while x ≥ 2 are relaxor ferroelectrics (RFE) with associated frequency dependent permittivity peaks and with similar Tm and Tf (Vogel-Fulcher freezing temperatures) values. This observation is rationalised by differing cation occupancies: for x ≤ 1, Sr2+ principally occupies the A2-site (co-occupied by Ba2+ with the A1-site occupied by Dy3+ and vacancies); for x ≥ 2 significant Sr A1-site occupation leads to the observed RFE characteristics. This FE to RFE crossover is consistent with a previously proposed TTB crystal chemical framework where both a decrease in average A-site size and concurrent increase in A1-site tolerance factor (tA1) favour destabilization of long range polar order and relaxor behaviour. The effect of increasing tA1 as a result of Sr occupancy at the A1 site is dominant in the compounds reported here.

X-43A Final Flight Observations

NASA Technical Reports Server (NTRS)

Grindle, Laurie

2011-01-01

The presentation will provide an overview of the final flight of the NASA X-43A project. The project consisted of three flights, two planned for Mach 7 and one for Mach 10. The first flight, conducted on June 2, 2001, was unsuccessful and resulted in a nine-month mishap investigation. A two-year return to flight effort ensued and concluded when the second Mach 7 flight was successfully conducted on March 27, 2004. The third and final flight, which occurred on November 16, 2004, was the first Mach 10 flight demonstration of an airframe-integrated, scramjet-powered, hypersonic vehicle. As such, the final flight presented first time technical challenges in addition to final flight project closeout concerns. The goals and objectives for the third flight as well as those for the project will be presented. The configuration of the Hyper-X stack including the X-43A, Hyper-X launch vehicle, and Hyper-X research vehicle adapter wil also be presented. Mission differences, vehicle modifications and lessons learned from the first and second flights as they applied to the third flight will also be discussed. Although X-43A flight 3 was always planned to be the final flight of the X-43A project, the X-43 program had two other vehicles and corresponding flight phases in X-43C and X-43B. Those other projects never manifested under the X-43 banner and X-43A flight 3 also became the final flight of X-43 program.

Hidden order signatures in the antiferromagnetic phase of U ( Ru 1 - x Fe x ) 2 Si 2

DOE PAGES

Williams, Travis J.; Aczel, Adam A.; Stone, Matthew B.; ...

2017-03-31

We present a comprehensive set of elastic and inelastic neutron scattering measurements on a range of Fe-doped samples of U(Ru 1–xFe x) 2Si 2 with 0.01 ≤ x ≤ 0.15. All of the samples measured exhibit long-range antiferromagnetic order, with the size of the magnetic moment quickly increasing to 0.51μB at 2.5% doping and continuing to increase monotonically with doping, reaching 0.69μB at 15% doping. Time-of-flight and inelastic triple-axis measurements show the existence of excitations at (1 0 0) and (1.4 0 0) in all samples, which are also observed in the parent compound. While the excitations in the 1%more » doping are quantitatively identical to the parent material, the gap and width of the excitations change rapidly at 2.5% Fe doping and above. The 1% doped sample shows evidence for a separation in temperature between the hidden order and antiferromagnetic transitions, suggesting that the antiferromagnetic state emerges at very low Fe dopings. Finally, the combined neutron scattering data suggest not only discontinuous changes in the magnetic moment and excitations between the hidden order and antiferromagnetic phases, but that these changes continue to evolve up to at least x = 0.15.« less

Selective Mono-reduction of Pyrrole-2,5 and 2,4-Dicarboxylates.

PubMed

Yasui, Eiko; Tsuda, Jyunpei; Ohnuki, Satoshi; Nagumo, Shinji

2016-01-01

Pyrrole-2,5-dicarboxylates were rapidly and selectively reduced to the corresponding mono-alcohol using 3 eq of diisobutylaluminum hydride at 0°C. Pyrrole-2,4-dicarboxylate showed the same reactivity; however, the selectivity decreased with pyrrole-3,4-dicarboxylate. When the nitrogen atom of the pyrrole-2,5-dicarboxylate is protected with a benzyl group, selective mono-reduction does not occur. Considering that furan-2,5-dicarboxylates did not give the corresponding mono-alcohol under the same conditions, the unprotected nitrogen atom of pyrrole apparently plays an important role in this selective mono-reduction.

Characterization, dissolution and solubility of the hydroxypyromorphite-hydroxyapatite solid solution [(PbxCa1-x)5(PO4)3OH] at 25 °C and pH 2-9.

PubMed

Zhu, Yinian; Huang, Bin; Zhu, Zongqiang; Liu, Huili; Huang, Yanhua; Zhao, Xin; Liang, Meina

2016-01-01

The interaction between Ca-HAP and Pb(2+) solution can result in the formation of a hydroxyapatite-hydroxypyromorphite solid solution [(PbxCa1-x)5(PO4)3(OH)], which can greatly affect the transport and distribution of toxic Pb in water, rock and soil. Therefore, it's necessary to know the physicochemical properties of (PbxCa1-x)5(PO4)3(OH), predominantly its thermodynamic solubility and stability in aqueous solution. Nevertheless, no experiment on the dissolution and related thermodynamic data has been reported. Dissolution of the hydroxypyromorphite-hydroxyapatite solid solution [(PbxCa1-x)5(PO4)3(OH)] in aqueous solution at 25 °C was experimentally studied. The aqueous concentrations were greatly affected by the Pb/(Pb + Ca) molar ratios (XPb) of the solids. For the solids with high XPb [(Pb0.89Ca0.11)5(PO4)3OH], the aqueous Pb(2+) concentrations increased rapidly with time and reached a peak value after 240-720 h dissolution, and then decreased gradually and reached a stable state after 5040 h dissolution. For the solids with low XPb (0.00-0.80), the aqueous Pb(2+) concentrations increased quickly with time and reached a peak value after 1-12 h dissolution, and then decreased gradually and attained a stable state after 720-2160 h dissolution. The dissolution process of the solids with high XPb (0.89-1.00) was different from that of the solids with low XPb (0.00-0.80). The average K sp values were estimated to be 10(-80.77±0.20) (10(-80.57)-10(-80.96)) for hydroxypyromorphite [Pb5(PO4)3OH] and 10(-58.38±0.07) (10(-58.31)-10(-58.46)) for calcium hydroxyapatite [Ca5(PO4)3OH]. The Gibbs free energies of formation (ΔG f (o) ) were determined to be -3796.71 and -6314.63 kJ/mol, respectively. The solubility decreased with the increasing Pb/(Pb + Ca) molar ratios (XPb) of (PbxCa1‒x)5(PO4)3(OH). For the dissolution at 25 °C with an initial pH of 2.00, the experimental data plotted on the Lippmann diagram showed that the solid solution (PbxCa1-x)5(PO4

7. Photocopy of photographca. 1927 (2 1/4 X 2 1/4' ...

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

7. Photocopy of photograph--ca. 1927 (2 1/4 X 2 1/4' negative) DETAIL SHOWING ADAPTATION THAT ALLOWED USE OF UPPER END OF ORIGINAL FLUME AND LOWER END JUST RECONSTRUCTED - Power Flume No. 1, Tacoma, La Plata County, CO

25. Black and white photograph, 8 1/4" x 10" on ...

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

25. Black and white photograph, 8 1/4" x 10" on glossy paper. Night view of the ground floor, central display window showing an exhibit of gas ranges. On bottom right margin in blue ink, "10-8-58", on reverse in rubber stamp black ink, "Indiana Gas Company, Incorporated, 511-513 Honey Creek Drive, P.O. Box 1647, Terre Haute, Indiana 47808". Rubber stamp in blue ink, "Terre Haute Gas Corporation". Property of Indiana Gas Company, located in Terre Haute office. - John T. Beasley Building, 632 Cherry Street (between Sixth & Seventh Streets), Terre Haute, Vigo County, IN

Structure and photoluminescence properties of Ba2-xSi4O10:2xSm3+

NASA Astrophysics Data System (ADS)

Ramteke, D. D.; Swart, H. C.

2018-04-01

We investigated the structure and photoluminescence properties of novel Ba2-xSi4O10:2xSm3+ phosphor prepared by the solid state reaction method. In the prepared phosphor the high temperature monoclinic phase was dominant over the low temperature orthorhombic phase. The shifting of the X-ray diffraction peaks with the Sm3+ ion addition was explained on the basis of the refinement results. The photoluminescence study showed that on excitation with 402 nm the phosphor emitted at 560 nm, 600 nm and 645 nm which corresponds to the 4G5/2→4H5/2, 4G5/2→4H7/2 and 4G5/2→4H9/2 transitions, respectively. Concentration quenching effect was also observed in the prepared phosphor. CIE chromaticity coordinates showed that the phosphor can be further developed for display applications.

Investigations of the local distortions and EPR parameters for Cu2+ in xNa2 O-(30-x)K2 O-70B2 O3 (5 ≤ x ≤ 25 mol%) glasses.

PubMed

Zhang, Zhen-Ya; Wu, Shao-Yi; Zhang, Fu; Zhang, Cheng-Xi; Qin, Rui-Jie; Gao, Han

2018-03-01

The local distortions and electron paramagnetic resonance parameters for Cu 2+ in the mixed alkali borate glasses xNa 2 O-(30-x)K 2 O-70B 2 O 3 (5 ≤ x ≤ 25 mol%) are theoretically studied with distinct modifier Na 2 O compositions x. Owing to the Jahn-Teller effect, the octahedral [CuO 6 ] 10- clusters show significant tetragonal elongation ratios p ~19% along the C 4 axis. With the increase of composition x, the cubic field parameter Dq and the orbital reduction factor k exhibit linearly and quasi-linearly decreasing tendencies, respectively, whereas the relative tetragonal elongation ratio p has quasi-linearly increasing rule with some fluctuations, leading to the minima of g factors at x = 10 mol%. The composition dependences of the optical spectra and the electron paramagnetic resonance parameters are suitably reproduced by the linear or quasi-linear relationships of the relevant quantities (i.e., Dq, k, and p) with x. The above composition dependences are analyzed from mixed alkali effect, which brings forward the modifications of the local crystal-fields and the electronic cloud distribution around Cu 2+ with the variation of the composition of Na 2 O. Copyright © 2017 John Wiley & Sons, Ltd.

Robust s ± pairing in CaK ( Fe 1 – x Ni x ) 4 As 4 ( x = 0 and 0.05) from the response to electron irradiation

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

Teknowijoyo, S.; Cho, K.; Konczykowski, M.

Here, controlled pointlike disorder introduced by 2.5-MeV electron irradiation was used to probe the superconducting state of single crystals of CaK(Fe 1–xNi x) 4As 4 superconductor at x = 0 and 0.05 doping levels. Both compositions show an increase of the residual resistivity and a decrease of the superconducting transition temperature, T c, at the rate of dT c/dρ(T c) ≈ 0.19 K/(μΩcm) for x = 0 and 0.38 K/(μΩcm) for x = 0.05, respectively. In the Ni-doped compound (x = 0.05), the coexisting spin-vortex crystal (SVC) magnetic phase is suppressed at the rate of dT N/dρ(T N) ≈ 0.16more » K/(μΩcm). The low-temperature variation of London penetration depth is well approximated by the power-law function, Δλ(T) = AT n, with n ≈ 2.5 for x = 0 and n ≈ 1.9 for x = 0.05 in the pristine state. Detailed analysis of λ(T) and T c evolution with disorder is consistent with two effective nodeless energy gaps in the density of states due to robust s± pairing. Overall the behavior of CaK(Fe 1–xNi x) 4As 4 at x = 0 is similar to a slightly overdoped Ba 1–yK yFe 2As 2 at y ≈ 0.5, and at x = 0.05 to an underdoped composition at y ≈ 0.2.« less

Robust s ± pairing in CaK ( Fe 1 – x Ni x ) 4 As 4 ( x = 0 and 0.05) from the response to electron irradiation

DOE PAGES

Teknowijoyo, S.; Cho, K.; Konczykowski, M.; ...

2018-04-27

Here, controlled pointlike disorder introduced by 2.5-MeV electron irradiation was used to probe the superconducting state of single crystals of CaK(Fe 1–xNi x) 4As 4 superconductor at x = 0 and 0.05 doping levels. Both compositions show an increase of the residual resistivity and a decrease of the superconducting transition temperature, T c, at the rate of dT c/dρ(T c) ≈ 0.19 K/(μΩcm) for x = 0 and 0.38 K/(μΩcm) for x = 0.05, respectively. In the Ni-doped compound (x = 0.05), the coexisting spin-vortex crystal (SVC) magnetic phase is suppressed at the rate of dT N/dρ(T N) ≈ 0.16more » K/(μΩcm). The low-temperature variation of London penetration depth is well approximated by the power-law function, Δλ(T) = AT n, with n ≈ 2.5 for x = 0 and n ≈ 1.9 for x = 0.05 in the pristine state. Detailed analysis of λ(T) and T c evolution with disorder is consistent with two effective nodeless energy gaps in the density of states due to robust s± pairing. Overall the behavior of CaK(Fe 1–xNi x) 4As 4 at x = 0 is similar to a slightly overdoped Ba 1–yK yFe 2As 2 at y ≈ 0.5, and at x = 0.05 to an underdoped composition at y ≈ 0.2.« less

Site Occupation of Eu2+ in Ba2- xSr xSiO4 ( x = 0-1.9) and Origin of Improved Luminescence Thermal Stability in the Intermediate Composition.

PubMed

Lin, Litian; Ning, Lixin; Zhou, Rongfu; Jiang, Chunyan; Peng, Mingying; Huang, Yucheng; Chen, Jun; Huang, Yan; Tao, Ye; Liang, Hongbin

2018-06-18

Knowledge of site occupation of activators in phosphors is of essential importance for understanding and tailoring their luminescence properties by modifying the host composition. Relative site preference of Eu 2+ for the two distinct types of alkaline earth (AE) sites in Ba 1.9995- x Sr x Eu 0.0005 SiO 4 ( x = 0-1.9) is investigated based on photoluminescence measurements at low temperature. We found that Eu 2+ prefers to be at the 9-coordinated AE2 site at x = 0, 0.5, and 1.0, while at x = 1.5 and 1.9, it also occupies the 10-coordinated AE1 site with comparable preference, which is verified by density functional theory (DFT) calculations. Moreover, by combining low-temperature measurements of the heat capacity, the host band gap, and the Eu 2+ 4f 7 ground level position, the improved thermal stability of Eu 2+ luminescence in the intermediate composition ( x = 1.0) is interpreted as due to an enlarged energy gap between the emitting 5d level and the bottom of the host conduction band (CB), which results in a decreased nonradiative probability of thermal ionization of the 5d electron into the host CB. Radioluminescence properties of the samples under X-ray excitation are finally evaluated, suggesting a great potential scintillator application of the compound in the intermediate composition.

2. Credit WCT. Original 21/4"x22/4" color negative is housed in ...

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

2. Credit WCT. Original 2-1/4"x2-2/4" color negative is housed in the JPL Archives, Pasadena, California. This view depicts the interior of Test Stand "G" with its "Vibration System consisting of a MB-C210E Electrodynamic Exciter having a maximum sinusoidal force output of 28,000 lbs. and a noload-peak acceleration sine wave of 80 gs." (Quotation based on JPL photo caption in notebook The Jet Propulsion Laboratory Edwards Facility, Jet Propulsion Laboratory, California Institute of Technology, no date; "80 gs" means 80 times the force of gravity.) This machine could be controlled to deliver a wide variety of perturbations (JPL negative no. 344-3802B, 27 February 1981). - Jet Propulsion Laboratory Edwards Facility, Test Stand G, Edwards Air Force Base, Boron, Kern County, CA

Evaluation of Spin Hamiltonian Parameters and Local Structure of Cu2+-doped Ion in xK2SO4-(50 - x)Na2SO4-50ZnSO4 Glasses with Various K2SO4 Concentrations

NASA Astrophysics Data System (ADS)

Ding, Ch.-Ch.; Wu, Sh.-Y.; Xu, Y.-Q.; Zhang, L.-J.; He, J.-J.

2018-03-01

The spin Hamiltonian parameters (SHPs), i.e., g factors and hyperfine structure constants, and local structures are theoretically studied by analyzing tetragonally elongated 3d9 clusters for Cu2+ in xK2SO4-(50 - x)Na2SO4-50ZnSO4 glasses with various K2SO4 concentrations x. The concentration dependences of the SHPs are attributed to the parabolic decreases of the cubic field parameter Dq, orbital reduction factor k, relative tetragonal elongation ratio τ, and core polarization constant κ with x. The [CuO6]10- clusters are found to undergo significant elongations of about 17% due to the Jahn-Teller effect. The calculated cubic field splittings and the SHPs at various concentrations agree well with the experimental data.

Synthesis, structure and properties of blödite-type solid solutions, Na2Co1-x Cu x (SO4)2·4H2O (0 < x ≤ 0.18), and crystal structure of synthetic kröhnkite, Na2Cu(SO4)2·2H2O

NASA Astrophysics Data System (ADS)

Marinova, Delyana; Wildner, Manfred; Bancheva, Tsvetelina; Stoyanova, Radostina; Georgiev, Mitko; Stoilova, Donka G.

2018-03-01

Based on different experimental methods—crystallization processes in aqueous solutions, infrared spectroscopy, single-crystal X-ray diffraction, electron paramagnetic resonance (EPR) and TG-DTA-DSC measurements—it has been established that copper ions are included in sodium cobalt sulfate up to about 18 mol%, thus forming limited solid solutions Na2Co1-x Cu x (SO4)2·4H2O (0 < x ≤ 0.18) with a blödite-type structure. In contrast, cobalt ions are not able to accept the coordination environment of the copper ions in the strongly distorted Cu(H2O)2O4 octahedra, thus resulting in the crystallization of Co-free kröhnkite. The solid solutions were characterized by vibrational and EPR spectroscopy. DSC measurements reveal that the copper concentration increase leads to increasing values of the enthalpy of dehydration (ΔH deh) and decreasing values of the enthalpy of formation (ΔH f). The crystal structures of synthetic kröhnkite, Na2Cu(SO4)2·2H2O, as well as of three Cu2+-bearing mixed crystals of Co-blödite, Na2Co1-x Cu x (SO4)2·4H2O with x (Cu) ranging from 0.03 to 0.15, have been investigated from single-crystal X-ray diffraction data. The new data for the structure of synthetic kröhnkite facilitated to clarify structural discrepancies found in the literature for natural kröhnkite samples, traced back to a mix-up of lattice parameters. The crystal structures of Co-dominant Na2Co1-x Cu x (SO4)2·4H2O solid solutions reveal a comparatively weak influence of the Jahn-Teller-affected Cu2+ guest cations up to the maximum content of x (Cu) = 0.15. The response of the MO2(H2O)4 octahedral shape by increased bond-length distortion with Cu content is clear cut (but limited), mainly concerning the M-OH2 bond lengths, whereas other structural units are hardly affected. However, the specific type of imposed distortion seems to play an important role impeding higher Cu/Co replacement ratios.

Luminescence in microcrystalline green emitting Li2Mg1-xZrO4:xTb3+ (0.1 ≤ x ≤ 2.0) phosphor

NASA Astrophysics Data System (ADS)

Panse, V. R.; Kokode, N. S.; Shinde, K. N.; Dhoble, S. J.

2018-03-01

Green emitting Li2Mg1-xZrO4:xTb3+ (0.1 ≤ x ≤ 2.0) phosphor powders were synthesized via the wet chemical synthesis and the luminescent proprieties were studied when excited at 380 nm and present a dominant and strong green luminescence peak at 543 nm, due to D-F transition. The preparation of Li2Mg1-xZrO4:xTb3+ (0.1 ≤ x ≤ 2.0) phosphor powders were confirmed by X-ray diffraction (XRD) results without any secondary or impurity phases. The size and morphology of the Li2Mg1-xZrO4:xTb3+ (0.1 ≤ x ≤ 2.0) phosphor powders were further examined by scanning electron microscopy (SEM). Photoluminescence (PL) results have shown strongest green emission at 543 nm, which is originated due to 5D4-7F5 transition of Tb3+ ion, for the Li2Mg1-xZrO4:xTb3+ (0.1 ≤ x ≤ 2.0) phosphor. The addition of concentration Tb3+ was greatly improved the photoluminescence properties of present phosphors. The present study suggests that the Li2Mg1-xZrO4:xTb3+ (0.1 ≤ x ≤ 2.0) phosphor is a strong candidate as a green component for phosphor-converted white light-emitting diodes (LEDs).

CO2 adsorption on gas-phase Cu4-xPtx (x = 0-4) clusters: a DFT study.

PubMed

Gálvez-González, Luis E; Juárez-Sánchez, J Octavio; Pacheco-Contreras, Rafael; Garzón, Ignacio L; Paz-Borbón, Lauro Oliver; Posada-Amarillas, Alvaro

2018-06-13

Transition and noble metal clusters have proven to be critical novel materials, potentially offering major advantages over conventional catalysts in a range of value-added catalytic processess such as carbon dioxide transformation to methanol. In this work, a systematic computational study of CO2 adsorption on gas-phase Cu4-xPtx (x = 0-4) clusters is performed. An exhaustive potential energy surface exploration is initially performed using our recent density functional theory basin-hopping global optimization implementation. Ground-state and low-lying energy isomers are identified for Cu4-xPtx clusters. Secondly, a CO2 molecule adsorption process is analyzed on the ground-state Cu4-xPtx configurations, as a function of cluster composition. Our results show that the gas-phase linear CO2 molecule is deformed upon adsorption, with its bend angle varying from about 132° to 139°. Cu4-xPtx cluster geometries remain unchanged after CO2 adsorption, with the exception of Cu3Pt1 and Pt4 clusters. For these particular cases, a structural conversion between the ground-state geometry and the corresponding first isomer configurations is found to be assisted by the CO2 adsorption. For all clusters, the energy barriers between the ground-state and first isomer structures are explored. Our calculated CO2 adsorption energies are found to be larger for Pt-rich clusters, exhibiting a volcano-type plot. The overall effect of a hybrid functional including dispersion forces is also discussed.

Structure, glass transition temperature and spectroscopic properties of 10Li2O-xP2O5-(89-x)TeO2-1CuO (5≤x≤25 mol%) glass system.

PubMed

Upender, G; Babu, J Chinna; Mouli, V Chandra

2012-04-01

X-ray diffraction (XRD), field emission scanning electron microscope (FESEM), energy dispersive X-ray spectrometry (EDS), differential scanning calorimetry (DSC), infrared (IR), Raman, electron paramagnetic resonance (EPR) and optical absorption studies on 10Li2O-xP2O5-(89-x)TeO2-1CuO glasses (where x=5, 10, 15, 20 and 25 mol%) have been carried out. The amorphous nature of the glasses was confirmed using XRD and FESEM measurements. The glass transition temperature (Tg) of glass samples have been estimated from DSC traces and found that the Tg increases with increasing P2O5 content. Both the IR and Raman studies have been showed that the present glass system consists of [TeO3], [TeO4], [PO3] and [PO4] units. The spin-Hamiltonian parameters such as g∥, g⊥, and A∥ have been determined from EPR spectra and it was found that the Cu2+ ion is present in tetragonal distorted octahedral site with [Formula: see text] as the ground state. Bonding parameters and bonding symmetry of Cu2+ ions have been calculated by correlating EPR and optical data and were found to be composition dependent. Copyright © 2012 Elsevier B.V. All rights reserved.

Hallucinogen-like effects of 2-([2-(4-cyano-2,5-dimethoxyphenyl) ethylamino]methyl)phenol (25CN-NBOH), a novel N-benzylphenethylamine with 100-fold selectivity for 5-HT2A receptors, in mice

PubMed Central

Gray, Bradley W.; Bailey, Jessica M.; Smith, Douglas; Hansen, Martin; Kristensen, Jesper L.

2014-01-01

Rationale 2-([2-(4-cyano-2,5-dimethoxyphenyl)ethylamino]methyl)phenol (25CN-NBOH) is structurally similar to N-benzyl substituted phenethylamine hallucinogens currently emerging as drugs of abuse. 25CN-NBOH exhibits dramatic selectivity for 5-HT2A receptors in vitro, but has not been behaviorally characterized. Objective 25CN-NBOH was compared to the traditional phenethylamine hallucinogen R(−)-2,5-dimethoxy-4-iodoamphetamine (DOI) using mouse models of drug-elicited head twitch behavior and drug discrimination. Methods Drug-elicited head twitches were quantified for 10 min following administration of various doses of either DOI or 25CN-NBOH, with and without pretreatments of 0.01 mg/kg 5-HT2A antagonist M100907 or 3.0 mg/kg 5-HT2C antagonist RS102221. The capacity of 25CN-NBOH to attenuate DOI-elicited head twitch was also investigated. Mice were trained to discriminate DOI or M100907 from saline, and 25CN-NBOH was tested for generalization. Results 25CN-NBOH induced a head twitch response in the mouse that was lower in magnitude than that of DOI, blocked by M100907, but not altered by RS102221. DOI-elicited head twitch was dose-dependently attenuated by 25CN-NBOH pretreatment. 25CN-NBOH produced an intermediate degree of generalization (55%) for the DOI training dose, and these interoceptive effects were attenuated by M100907. Finally, 25CN-NBOH did not generalize to M100907 at any dose, but ketanserin fully substituted in these animals. Conclusions 25CN-NBOH was behaviorally active, but less effective than DOI in two mouse models of hallucinogenic effects. The effectiveness with which M100907 antagonized the behavioral actions of 25CN-NBOH strongly suggests that the 5-HT2A receptor is an important site of agonist action for this compound in vivo. PMID:25224567

Structural, magnetic, and dielectric properties of multiferroic Co1-xMgxCr2O4 nanoparticles

NASA Astrophysics Data System (ADS)

Kamran, M.; Ullah, A.; Rahman, S.; Tahir, A.; Nadeem, K.; Anis ur Rehman, M.; Hussain, S.

2017-07-01

We examined the structural, magnetic, and dielectric properties of Co1-xMgxCr2O4 nanoparticles with composition x = 0, 0.2, 0.4, 0.5, 0.6, 0.8 and 1 in detail. X-ray diffraction (XRD) revealed normal spinel structure for all the samples. Rietveld refinement fitting results of the XRD showed no impurity phases which signifies the formation of single phase Co1-xMgxCr2O4 nanoparticles. The average crystallite size showed a peak behaviour with maxima at x = 0.6. Raman and Fourier transform infrared (FTIR) spectroscopy also confirmed the formation of single phase normal spinel for all the samples and exhibited dominant vibrational changes for x ≥ 0.6. For x = 0 (CoCr2O4), zero field cooled/field cooled (ZFC/FC) magnetization curves showed paramagnetic (PM) to ferrimagnetic (FiM) transition at Tc = 97 K and a conical spiral magnetic order at Ts = 30 K. The end members CoCr2O4 (x = 0) and MgCr2O4 (x = 1) are FiM and antiferromagnetic (AFM), respectively. Tc and Ts showed decreasing trend with increasing x, followed by an additional AFM transition at TN = 15 K for x = 0.6. The system finally stabilized and changed to highly frustrated AFM structure at x = 1 due to formation of pure MgCr2O4. High field FC curves (5T) depicted nearly no effect on spiral magnetic state, which is attributed to strong exchange B-B magnetic interactions at low temperatures. Dielectric parameters showed a non-monotonous behaviour with Mg concentration and were explained with the help of Maxwell-Wagner model and Koop's theory. Dielectric properties were improved for nanoparticles with x = 0.6 and is attributed to their larger average crystallite size. In summary, Mg doping has significantly affects the structural, magnetic, and dielectric properties of CoCr2O4 nanoparticles, which can be attributed to variations in local magnetic exchange interactions and variation in average crystallite size of these chromite nanoparticles.

Polaronic transport and thermoelectricity in Fe 1 – x Co x Sb 2 S 4 ( x = 0 , 0.1, and 0.2)

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

Liu, Yu; Kang, Chang -Jong; Stavitski, Eli

Here, we report a study of Co-doped berthierite Fe 1–xCo xSb 2S 4 (x=0, 0.1, and 0.2). The alloy series of Fe 1–xCo xSb 2S 4 crystallize in an orthorhombic structure with the Pnma space group, similar to FeSb 2, and show semiconducting behavior. The large discrepancy between activation energy for conductivity, E ρ (146 ~270meV), and thermopower, E S (47 ~108 meV), indicates the polaronic transport mechanism. Bulk magnetization and heat-capacity measurements of pure FeSb 2S 4 (x=0) exhibit a broad antiferromagnetic transition (T N = 46K) followed by an additional weak transition (T* = 50K). Transition temperatures (Tmore » N and T*) slightly decrease with increasing Co content x. This is also reflected in the thermal conductivity measurement, indicating strong spin-lattice coupling. Fe 1–xCo xSb 2S 4 shows relatively high value of thermopower (up to ~624μVK –1 at 300 K) and thermal conductivity much lower when compared to FeSb 2, a feature desired for potential applications based on FeSb 2 materials.« less

Polaronic transport and thermoelectricity in Fe 1 – x Co x Sb 2 S 4 ( x = 0 , 0.1, and 0.2)

DOE PAGES

Liu, Yu; Kang, Chang -Jong; Stavitski, Eli; ...

2018-04-09

Here, we report a study of Co-doped berthierite Fe 1–xCo xSb 2S 4 (x=0, 0.1, and 0.2). The alloy series of Fe 1–xCo xSb 2S 4 crystallize in an orthorhombic structure with the Pnma space group, similar to FeSb 2, and show semiconducting behavior. The large discrepancy between activation energy for conductivity, E ρ (146 ~270meV), and thermopower, E S (47 ~108 meV), indicates the polaronic transport mechanism. Bulk magnetization and heat-capacity measurements of pure FeSb 2S 4 (x=0) exhibit a broad antiferromagnetic transition (T N = 46K) followed by an additional weak transition (T* = 50K). Transition temperatures (Tmore » N and T*) slightly decrease with increasing Co content x. This is also reflected in the thermal conductivity measurement, indicating strong spin-lattice coupling. Fe 1–xCo xSb 2S 4 shows relatively high value of thermopower (up to ~624μVK –1 at 300 K) and thermal conductivity much lower when compared to FeSb 2, a feature desired for potential applications based on FeSb 2 materials.« less

Structure and high-pressure behavior of 2,5-di-(4-aminophenyl)-1,3,4-oxadiazole

NASA Astrophysics Data System (ADS)

Franco, Olga; Orgzall, Ingo; Reck, Günter; Stockhause, Sabine; Schulz, Burkhard

2005-06-01

The crystalline structures of two modifications of a compound containing the oxadiazole ring, 2,5-di-(4-aminophenyl)-1,3,4-oxadiazole (DAPO) were determined. One of these modifications contains water molecules in the crystal structure, which is observed for the first time for an oxadiazole crystal. Both crystals show an orthorhombic structure. The water free modification, DAPO I, belongs to the space group Pbca (61) and has the lattice parameters: a=13.461(5), b=7.937(3) and c=22.816(8) Å (CCDC 246608). The water containing pseudo-polymorph, DAPO II, has the space group Cmcm (63) and the lattice parameters: a=16.330(5), b=12.307(2) and c=6.9978(14) Å (CCDC 246609). To gain information on the inter molecular interactions within the crystals, X-ray experiments under compression at ambient temperature and under heating at vacuum conditions were performed. Neither DAPO I nor DAPO II undergo phase transitions in the ressure range up to 5 GPa, as could be concluded from X-ray and Raman experiments. X-ray and calorimetric studies indicate that DAPO II dehydrates into DAPO I under increasing temperature. Structural considerations suggest a two-stage process. The compression behavior of both substances is well described by the Murnaghan equation of state (MEOS) and the values of the bulk modulus and its pressure derivative are determined for these crystals. Additionally, in the case of DAPO I, also the thermal expansion coefficient α0 was measured.

Visible light water oxidation using a co-catalyst loaded anatase-structured Ti(1-(5x/4))Nb(x)O(2-y-δ)N(y) compound.

PubMed

Breault, Tanya M; Brancho, James J; Guo, Ping; Bartlett, Bart M

2013-08-19

The photocatalytic activity of anatase-structured Ti(1-(5x/4))Nb(x)O(2-y-δ)N(y) (x = 0.25, y = 0.02; NbN-25) was examined for water oxidation under UV and visible light irradiation. The semiconductor was prepared by sol-gel processing followed by nitridation in flowing ammonia and exhibits an indirect optical gap of 2.2 eV. Ti(1-(5x/4))Nb(x)O(2-y-δ)N(y) was loaded with RuO2 by an impregnation technique, and optimized conditions reveal that 1 wt % RuO2 generates 16 μmol O2 from water with concomitant IO3(-) reduction after 3 h of illumination under simulated solar radiation at a flux of 600 mW/cm(2) illumination, which corresponds to 6-sun AM1.5G illumination (compared to no detectible O2 without the RuO2 cocatalyst). A series of cut-on filters shows that the catalyst-loaded semiconductor evolves O2 for λ ≤ 515 nm, and a gas-phase mass spectrometry isotope labeling experiment shows that irradiating an iodate solution in H2(18)O in the presence of 1 wt % RuO2 loaded on NbN-25 gives rise to catalytic water oxidation: both (36)O2 and (34)O2 are observed. It is unclear whether (16)O arises from IO3(-) or surface reconstruction on the photocatalyst, but ICP-AES analysis of the postirradiated solution shows no dissolved metal ions.

Crystal structures of the new ternary stannides La3Mg4-xSn2+x and LaMg3-xSn2

NASA Astrophysics Data System (ADS)

Solokha, P.; De Negri, S.; Minetti, R.; Proserpio, D. M.; Saccone, A.

2016-01-01

Synthesis and structural characterization of the two new lanthanum-magnesium-stannides La3Mg4-xSn2+x (0.12≤x≤0.40) and LaMg3-xSn2 (0.33≤x≤0.78) are reported. The crystal structures of these intermetallics were determined by single crystal X-ray diffraction analysis and confirmed by Rietveld refinement of powder X-ray diffraction patterns of the corresponding samples. The La3Mg4-xSn2+x phase crystallizes in the hexagonal Zr3Cu4Si2 structure type (P6bar2m, hP9, Z=3, x=0.12(1), a=7.7974(7), c=4.8384(4) Å), which represents an ordered derivative of the hP9-ZrNiAl prototype, ubiquitous among equiatomic intermetallics. The LaMg3-xSn2 phase is the second representative of the trigonal LaMg3-xGe2 type, which is a superstructure of the LaLi3Sb2 structure type (P3bar1c, hP34-0.12, Z=6, x=0.35(1), a=8.3222(9), c=14.9546(16) Å). The scheme describing the symmetry reduction/coloring with respect to the parent type is reported here with the purpose to discuss the LaMg3-xSn2 off-stoichiometry from the geometrical point of view. Structural relationships between the La-Mg-Sn ternary phases, including the already known equiatomic LaMgSn compound (oP12-TiNiSi), are presented in the framework of the AlB2-related compounds family and discussed with the aid of group-subgroup relations in the Bärnighausen formalism.

X-ray observations of the colliding wind binary WR 25

NASA Astrophysics Data System (ADS)

Arora, Bharti; Pandey, Jeewan Chandra

2018-04-01

Using the archival data obtained from Chandra and Suzaku spanning over '8 years, we present an analysis of a WN6h+O4f Wolf-Rayet binary, WR 25. The X-ray light curves folded over a period of '208 d in the 0.3 - 10.0 keV energy band showed phase-locked variability where the count rates were found to be maximum near the periastron passage. The X-ray spectra of WR 25 were well explained by a two-temperature plasma model with temperatures of 0.64 ± 0.01 and 2.96 ± 0.05 keV and are consistent with previous results. The orbital phase dependent local hydrogen column density was found to be maximum just after the periastron passage, when the WN type star is in front of the O star. The hard (2.0 - 10.0 keV) X-ray luminosity was linearly dependent on the inverse of binary separation which confirms that WR 25 is a colliding wind binary.

High-energy magnetic excitations in overdoped La 2-xSr xCuO 4 studied by neutron and resonant inelastic X-ray scattering

DOE PAGES

Wakimoto, S.; Ishii, K.; Kimura, H.; ...

2015-05-21

We have performed neutron inelastic scattering and resonant inelastic x-ray scattering (RIXS) at the Cu-L 3 edge to study high-energy magnetic excitations at energy transfers of more than 100 meV for overdoped La 2₋xSr xCuO 4 with x=0.25 (T c=15 K) and x=0.30 (nonsuperconducting) using identical single-crystal samples for the two techniques. From constant-energy slices of neutron-scattering cross sections, we have identified magnetic excitations up to ~250 meV for x=0.25. Although the width in the momentum direction is large, the peak positions along the (π,π) direction agree with the dispersion relation of the spin wave in the nondoped La 2CuOmore » 4 (LCO), which is consistent with the previous RIXS results of cuprate superconductors. Using RIXS at the Cu-L 3 edge, we have measured the dispersion relations of the so-called paramagnon mode along both (π,π) and (π,0) directions. Although in both directions the neutron and RIXS data connect with each other and the paramagnon along (π,0) agrees well with the LCO spin-wave dispersion, the paramagnon in the (π,π) direction probed by RIXS appears to be less dispersive and the excitation energy is lower than the spin wave of LCO near (π/2,π/2). Thus, our results indicate consistency between neutron inelastic scattering and RIXS, and elucidate the entire magnetic excitation in the (π,π) direction by the complementary use of two probes. The polarization dependence of the RIXS profiles indicates that appreciable charge excitations exist in the same energy range of magnetic excitations, reflecting the itinerant character of the overdoped sample. Lastly, we find a possible anisotropy in the charge excitation intensity might explain the apparent differences in the paramagnon dispersion in the (π,π) direction as detected by the x-ray scattering.« less

LiCoPO4 cathode from a CoHPO4·xH2O nanoplate precursor for high voltage Li-ion batteries

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

Choi, Daiwon; Li, Xiaolin; Henderson, Wesley A.

2016-02-01

Highly crystalline LiCoPO4/C cathode has been synthesized without any impurities via single step solid-state reaction using CoHPO4xH2O nanoplates as a precursor obtained by simple precipitation route. The electrochemical test shows specific capacity as high as 125mAh/g at charge/discharge rate of C/10. Synthesis approach for obtaining CoHPO4xH2O nanoplate precursor and final LiCoPO4/C cathode using single step solid-state reaction have been characterized using X-ray diffraction, thermos gravimetric analyses (TGA) – differential scanning calorimetry (DSC), transmission electron microscopy (TEM), and scanning electron microscopy (SEM). The electrochemical test and cycling stability using different electrolytes, additive and separator have been investigated.

Evidence for a Nematic Phase in La 1.75 Sr 0.25 NiO 4

DOE PAGES

Zhong, Ruidan; Winn, Barry L.; Gu, Genda; ...

2017-04-28

Determining the nature of electronic states in doped Mott insulators remains a challenging task. In the case of tetragonal La 2 - xSr xNiO 4, the occurrence of diagonal charge and spin stripe order in the ground state is now well established. In contrast, the nature of the high-temperature “disordered” state from which the stripe order develops has long been a subject of controversy, with considerable speculation regarding a polaronic liquid. Following the recent detection of dynamic charge stripes, in this paper we use neutron scattering measurements on an x = 0.25 crystal to demonstrate that the dispersion of themore » charge-stripe excitations is anisotropic. Finally, this observation provides compelling evidence for the presence of electronic nematic order.« less

Evidence for a Nematic Phase in La 1.75 Sr 0.25 NiO 4

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

Zhong, Ruidan; Winn, Barry L.; Gu, Genda

Determining the nature of electronic states in doped Mott insulators remains a challenging task. In the case of tetragonal La 2 - xSr xNiO 4, the occurrence of diagonal charge and spin stripe order in the ground state is now well established. In contrast, the nature of the high-temperature “disordered” state from which the stripe order develops has long been a subject of controversy, with considerable speculation regarding a polaronic liquid. Following the recent detection of dynamic charge stripes, in this paper we use neutron scattering measurements on an x = 0.25 crystal to demonstrate that the dispersion of themore » charge-stripe excitations is anisotropic. Finally, this observation provides compelling evidence for the presence of electronic nematic order.« less

Optically stimulated luminescence in x-ray irradiated xSnO-(25-x)SrO-75B2O3 glass

NASA Astrophysics Data System (ADS)

Nanto, H.; Nakagawa, R.; Takei, Y.; Hirasawa, K.; Miyamoto, Y.; Masai, H.; Kurobori, T.; Yanagida, T.; Fujimoto, Y.

2015-06-01

An intense optically stimulated luminescence (OSL) was observed, for the first time, in x-ray irradiated xSnO-(25-x)SrO-75B2O3 glass. It was found that the peak wavelength of OSL emission spectrum and its stimulation spectrum is about 400 nm and 600 nm, respectively. The OSL intensity is depended on the SnO contents (x=0.05-1.5) and the most intense OSL was observed in 1.0 mol% SnO doped glass. It was found that the OSL intensity is increased with increasing x-ray absorbed dose. Fairly good fading characteristics were observed in the x-ray irradiated glass, showing that this glass is useful as a candidate for OSL sensor materials for ionizing radiation monitoring.

Preparation of Zn(BH4)2 and diborane and hydrogen release properties of Zn(BH4)2+xMgH2 (x=1, 5, 10, and 15)

NASA Astrophysics Data System (ADS)

Kwak, Young Jun; Kwon, Sung Nam; Song, Myoung Youp

2015-09-01

Zn(BH4)2 was prepared by milling ZnCl2 and NaBH4 in a planetary ball mill under Ar atmosphere, and Zn(BH4)2+xMgH2 (x=1, 5, 10, and 15) samples were prepared. Diborane (B2H6) and hydrogen release characteristics of the Zn(BH4)2 and Zn(BH4)2+xMgH2 samples were studied. The samples synthesized by milling ZnCl2 and NaBH4 contained Zn(BH4)2 and NaCl, together with small amounts of ZnCl2 and NaBH4. We designated these samples as Zn(BH4)2(+NaCl). The weight loss up to 400 °C of the Zn(BH4)2(+NaCl) sample synthesized by milling 4 h was 11.2 wt%. FT-IR analysis showed that Zn(BH4)2 was formed in the Zn(BH4)2(+NaCl) samples. MgH2 was also milled in a planetary ball mill, and mixed with the Zn(BH4)2(+NaCl) synthesized by milling for 4 h in a mortar and pestle. The weight loss up to 400 °C of Zn(BH4)2(+NaCl)+MgH2 was 8.2 wt%, corresponding to the weight % of diborane and hydrogen released from the Zn(BH4)2(+NaCl)+MgH2 sample, with respect to the sample weight. DTA results of Zn(BH4)2(+NaCl)+xMgH2 showed that the decomposition peak of Zn(BH4)2 was at about 61 °C, and that of MgH2 was at about 370-389 °C.

Structure Evolution and Reactivity of the Sc(2- x)V xO3+δ (0 ≤ x ≤ 2.0) System.

PubMed

Lussier, Joey A; Simon, Fabian J; Whitfield, Pamela S; Singh, Kalpana; Thangadurai, Venkataraman; Bieringer, Mario

2018-05-07

Solid oxide fuel cells (SOFCs) are solid-state electrochemical devices that directly convert chemical energy of fuels into electricity with high efficiency. Because of their fuel flexibility, low emissions, high conversion efficiency, no moving parts, and quiet operation, they are considered as a promising energy conversion technology for low carbon future needs. Solid-state oxide and proton conducting electrolytes play a crucial role in improving the performance and market acceptability of SOFCs. Defect fluorite phases are some of the most promising fast oxide ion conductors for use as electrolytes in SOFCs. We report the synthesis, structure, phase diagram, and high-temperature reactivity of the Sc (2- x) V x O 3+δ (0 ≤ x ≤ 2.00) oxide defect model system. For all Sc (2- x) V x O 3.0 phases with x ≤ 1.08 phase-pure bixbyite-type structures are found, whereas for x ≥ 1.68 phase-pure corundum structures are reported, with a miscibility gap found for 1.08 < x < 1.68. Structural details obtained from the simultaneous Rietveld refinements using powder neutron and X-ray diffraction data are reported for the bixbyite phases, demonstrating a slight V 3+ preference toward the 8b site. In situ X-ray diffraction experiments were used to explore the oxidation of the Sc (2- x) V x O 3.0 phases. In all cases ScVO 4 was found as a final product, accompanied by Sc 2 O 3 for x < 1.0 and V 2 O 5 when x > 1.0; however, the oxidative pathway varied greatly throughout the series. Comments are made on different synthesis strategies, including the effect on crystallinity, reaction times, rate-limiting steps, and reaction pathways. This work provides insight into the mechanisms of solid-state reactions and strategic guidelines for targeted materials synthesis.

Ab initio chemical kinetics for SiH3 reactions with Si(x)H2x+2 (x = 1-4).

PubMed

Raghunath, P; Lin, M C

2010-12-30

Gas-phase kinetics and mechanisms of SiH(3) reactions with SiH(4), Si(2)H(6), Si(3)H(8), and Si(4)H(10), processes of relevance to a-Si thin-film deposition, have been investigated by ab initio molecular orbital and transition-state theory (TST) calculations. Geometric parameters of all the species involved in the title reactions were optimized by density functional theory at the B3LYP and BH&HLYP levels with the 6-311++G(3df,2p) basis set. The potential energy surface of each reaction was refined at the CCSD(T)/6-311++G(3df,2p) level of theory. The results show that the most favorable low energy pathways in the SiH(3) reactions with these silanes occur by H abstraction, leading to the formation of SiH(4) + Si(x)H(2x+1) (silanyl) radicals. For both Si(3)H(8) and n-Si(4)H(10) reactions, the lowest energy barrier channels take place by secondary Si-H abstraction, yielding SiH(4) + s-Si(3)H(7) and SiH(4) + s-Si(4)H(9), respectively. In the i-Si(4)H(10) reaction, tertiary Si-H abstraction has the lowest barrier producing SiH(4) + t-Si(4)H(9). In addition, direct SiH(3)-for-X substitution reactions forming Si(2)H(6) + X (X = H or silanyls) can also occur, but with significantly higher reaction barriers. A comparison of the SiH(3) reactions with the analogous CH(3) reactions with alkanes has been made. The rate constants for low-energy product channels have been calculated for the temperature range 300-2500 K by TST with Eckart tunneling corrections. These results, together with predicted heats of formation of various silanyl radicals and Si(4)H(10) isomers, have been tabulated for modeling of a-Si:H film growth by chemical vapor deposition.

Studies on redox H 2-CO 2 cycle on CoCr xFe 2- xO 4

NASA Astrophysics Data System (ADS)

Ma, Ling Juan; Chen, Lin Shen; Chen, Song Ying

2009-01-01

Completely reduced CoCr xFe 2-xO 4 can be used to decompose CO 2. It was found that for pure CoFe 2O 4 there is no FeO formation in the first step while there is formation in the second step. For CoCr 0.08Fe 2-0.08O 4, there is no FeO formed in all the oxidation process, because of effect of Cr 3+. Pure CoFe 2O 4 was destroyed at the first reaction cycle of H 2 reduction and CO 2 oxidation, while doped Cr 3+ spinel CoCr 0.08Fe 1.92O 4 showed good stability. The results from H 2-TG, CO 2-TG and XRD show that the addition of Cr 3+ to CoFe 2O 4 can inhibit the increasing of crystallite size and the sintering of alloy. Most importantly, the CoCr 0.08Fe 1.92O 4 can be used to decompose CO 2 repeatedly, implying that it is a potential catalyst for dealing with the CO 2 as a 'green house effect' gas.

Contrasting the material chemistry of Cu 2ZnSnSe 4 and Cu 2ZnSnS (4-x)Se x

DOE PAGES

Aguiar, Jeffery A.; Patel, Maulik; Aoki, Toshihiro; ...

2016-02-02

Earth-abundant sustainable inorganic thin-film solar cells, independent of precious elements, pivot on a marginal material phase space targeting specific compounds. Advanced materials characterization efforts are necessary to expose the roles of microstructure, chemistry, and interfaces. Here, the earth-abundant solar cell device, Cu 2ZnSnS (4-x)Se x, is reported, which shows a high abundance of secondary phases compared to similarly grown Cu 2ZnSnSe 4.

Doping effect on charge ordering in the spinel compound AlV_2-xCr_xO_4

NASA Astrophysics Data System (ADS)

Horibe, Yoichi; Kurushima, Kosuke; Mori, Shigeo; Shingu, Masao; Katsufuji, Takuro

2004-03-01

It is reported that AlV_2O4 with the spinel-type structure shows the charge-ordering (CO) behavior below 700K.[1] Because the average valence of V is V^2.5+ in this compound, the CO structure is characterized by the unique CO pattern with V^2+:V^4+=3:1. In this talk, we will report doping effect on the CO structure in AlV_2O_4. In particular, we will focus on changes of microstructure related to the CO structure by Cr doping by transmission electron microscopy. Firstly we confirmed that AlV_2O4 has a long-ranged CO structure characterized by a single wave vector q=(1/2)[111]. On the other hand, we found the presence of diffuse scatterings at the (1/2)[111] and (1/2)[1-11]-type positions in AlV_1.875Cr_0.125O4 at room temperature. This means that the CO structure in AlV_1.875Cr_0.125O4 has two wave vectors of q=(1/2)[111] and q=the (1/2)[1-11]. Furthermore, the long-ranged CO structure in AlV_2O4 changes into the short-ranged one by substituting Cr ions into the V ones. The correlation length of CO in x=0.125 can be estimated to be about 5 nm. Our results suggest that the Cr doping destroyed the CO correlation effectively. It is revealed that by substituting Cr ions to V ones, the CO state is suppressed drastically and disappeared with x > 0.125. [1] K. Matsuno et al., J. Phys. Soc. Jpn 70, 1456 (2001)

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

The mechanism of long phosphorescence of SrAl{sub 2-x}B{sub x}O{sub 4} (0<x<0.2) and Sr{sub 4}Al{sub 14-x}B{sub x}O{sub 25} (0.1<x<0.4) co-doped with Eu{sup 2+} and Dy{sup 3+}

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

Nag, Abanti; Kutty, T.R.N

2004-03-01

The role of B{sub 2}O{sub 3} in realizing the long phosphorescence of Eu(II)+Dy(III) doped strontium aluminates has been investigated. IR and solid state {sup 27}Al MAS NMR spectra show the incorporation of boron as BO{sub 4} in the AlO{sub 4} framework of SrAl{sub 2}O{sub 4} and Sr{sub 4}Al{sub 14}O{sub 25}. Phosphor, made free of glassy phases by washing with hot acetic acid+glycerol, did not show any photoconductivity under UV irradiation, indicating that the mechanism involving hole conduction in valence band is untenable for long phosphorescence. EPR studies confirm the presence of both electron and hole trap centers. Dy{sup 3+} formsmore » substitutional defect complex with borate; [Dy-BO{sub 4}-V{sub Sr}]{sup 2-}, and acts as a hole trap center. The electron centers are formed by the oxygen vacancies associated with BO{sub 3}{sup 3-}, i.e. [BO{sub 3}-V{sub O}]{sup 3-}. Under indigo light or near UV irradiation, the photoinduced electron centers are formed as [BO{sub 3}-V{sub O}(e')]{sup 4-}. The holes are released from [Dy-BO{sub 4}-V{sub Sr}(h{center_dot})]{sup 1-} under thermal excitation at room temperature. The recombination of electrons with holes releases energy which is expended to excite Eu{sup 2+} to induce long phosphorescence.« less

X-38 Ship #2 Landing on Lakebed, Completing the Program's 4th Flight

NASA Technical Reports Server (NTRS)

1999-01-01

The X-38, a research vehicle built to help develop technology for an emergency Crew Return Vehicle (CRV), makes a gentle lakebed landing at the end of a July 1999 test flight at the Dryden Flight Research Center, Edwards, California. It was the fourth free flight of the test vehicles in the X-38 program, and the second free flight test of Vehicle 132 or Ship 2. The goal of this flight was to release the vehicle from a higher altitude -- 31,500 feet -- and to fly the vehicle longer -- 31 seconds -- than any previous X-38 vehicle had yet flown. The project team also conducted aerodynamic verification maneuvers and checked improvements made to the drogue parachute. The X-38 Crew Return Vehicle (CRV) research project is designed to develop the technology for a prototype emergency crew return vehicle, or lifeboat, for the International Space Station. The project is also intended to develop a crew return vehicle design that could be modified for other uses, such as a joint U.S. and international human spacecraft that could be launched on the French Ariane-5 Booster. The X-38 project is using available technology and off-the-shelf equipment to significantly decrease development costs. Original estimates to develop a capsule-type crew return vehicle were estimated at more than $2 billion. X-38 project officials have estimated that development costs for the X-38 concept will be approximately one quarter of the original estimate. Off-the-shelf technology is not necessarily 'old' technology. Many of the technologies being used in the X-38 project have never before been applied to a human-flight spacecraft. For example, the X-38 flight computer is commercial equipment currently used in aircraft and the flight software operating system is a commercial system already in use in many aerospace applications. The video equipment for the X-38 is existing equipment, some of which has already flown on the space shuttle for previous NASA experiments. The X-38's primary navigational

Synthetic, Infrared, 1H and 13C NMR Spectral Studies on N-(2-/3-Substituted Phenyl)-4-Substituted Benzenesulphonamides, 4-X'C6H4SO2NH(2-/3-XC6H4), where X' = H, CH3, C2H5, F, Cl or Br, and X = CH3 or Cl

NASA Astrophysics Data System (ADS)

Gowda, B. Thimme; Shetty, Mahesha; Jayalakshmi, K. L.

2005-02-01

Twenty three N-(2-/3-substituted phenyl)-4-substituted benzenesulphonamides of the general formula, 4-X'C6H4SO2NH(2-/3-XC6H4), where X' = H, CH3, C2H5, F, Cl or Br and X = CH3 or Cl have been prepared and characterized, and their infrared spectra in the solid state, 1H and 13C NMR spectra in solution were studied. The N-H stretching vibrations, νN-H, absorb in the range 3285 - 3199 cm-1, while the asymmetric and symmetric SO2 vibrations vary in the ranges 1376 - 1309 cm-1 and 1177 - 1148 cm-1, respectively. The S-N and C-N stretching vibrations absorb in the ranges 945 - 893 cm-1 and 1304 - 1168 cm-1, respectively. The compounds do not exhibit particular trends in the variation of these frequencies on substitution either at ortho or meta positions with either a methyl group or Cl. The observed 1H and 13C chemical shifts of are assigned to protons and carbons of the two benzene rings. Incremental shifts of the ring protons and carbons due to -SO2NH(2-/3-XC6H4) groups in C6H5SO2NH(2-/3-XC6H4), and 4- X'C6H4SO2- and 4-X'C6H4SO2NH- groups in 4-X'C6H4SO2NH(C6H5) are computed and employed to calculate the chemical shifts of the ring protons and carbons in the substituted compounds, 4-X'C6H4SO2NH(2-/3-XC6H4). The computed values agree well with the observed chemical shifts.

Robust s± pairing in CaK (Fe1-xNix) 4As4 (x =0 and 0.05) from the response to electron irradiation

NASA Astrophysics Data System (ADS)

Teknowijoyo, S.; Cho, K.; Kończykowski, M.; Timmons, E. I.; Tanatar, M. A.; Meier, W. R.; Xu, M.; Bud'ko, S. L.; Canfield, P. C.; Prozorov, R.

2018-04-01

Controlled pointlike disorder introduced by 2.5-MeV electron irradiation was used to probe the superconducting state of single crystals of CaK (Fe1-xNix) 4As4 superconductor at x =0 and 0.05 doping levels. Both compositions show an increase of the residual resistivity and a decrease of the superconducting transition temperature, Tc, at the rate of d Tc/d ρ (Tc) ≈0.19 K/(μ Ω cm ) for x =0 and 0.38 K/(μ Ω cm ) for x =0.05 , respectively. In the Ni-doped compound (x =0.05 ), the coexisting spin-vortex crystal (SVC) magnetic phase is suppressed at the rate of d TN/d ρ (TN) ≈ 0.16 K/(μ Ω cm ). The low-temperature variation of London penetration depth is well approximated by the power-law function, Δ λ (T ) =A Tn , with n ≈2.5 for x =0 and n ≈1.9 for x =0.05 in the pristine state. Detailed analysis of λ (T ) and Tc evolution with disorder is consistent with two effective nodeless energy gaps in the density of states due to robust s± pairing. Overall the behavior of CaK (Fe1-xNix) 4As4 at x =0 is similar to a slightly overdoped Ba1 -yKyFe2As2 at y ≈ 0.5, and at x =0.05 to an underdoped composition at y ≈ 0.2.

The 1201 superconductors Hg1-y(VO4)y(Ba, Sr)2CuO4-2y+δ: evidence for VO4 tetrahedra

NASA Astrophysics Data System (ADS)

Malo, S.; Hervieu, M.; Maignan, A.; Knížek, K.; Raveau, B.; Michel, C.

1997-02-01

A series of mercury based cuprates with nominal composition Hg1-yV(y)Ba2-xSrxCuO4+2y+δ has been prepared for x = 0, 0.25, 0.5, 0.75, 1 and 1.25. The actual solid solution limit from the EDS measurement is x = 1.1, y ranges from 0.2 to 0.35. The single crystal study coupled with high resolution electron microscopy shows for the first time the presence of VO4 tetrahedra replacing partly the mercury atoms according to the formulation Hg1-y(VO4)y(Ba,Sr)2 CuO4-2y+δ. The role of vanadium for the stabilisation of the structure and as a doping agent in the superconducting properties is discussed.

Ethanol Is a Fast Channel Inhibitor of P2X4 Receptors

PubMed Central

Ostrovskaya, Olga; Asatryan, Liana; Wyatt, Letisha; Popova, Maya; Li, Kaixun; Peoples, Robert W.; Alkana, Ronald L.

2011-01-01

P2X receptors (P2XRs) are ion channels gated by synaptically released ATP. The P2X4 is the most abundant P2XR subtype expressed in the central nervous system and to date is the most ethanol-sensitive. In addition, genomic findings suggest that P2X4Rs may play a role in alcohol intake/preference. However, little is known regarding how ethanol causes the inhibition of ATP-gated currents in P2X4Rs. We begin to address this issue by investigating the effects of ethanol in wild-type and mutant D331A and M336A P2X4Rs expressed in human embryonic kidney (HEK) 293 cells using whole-cell patch-clamp methods. The results suggest that residues D331 and M336 play a role in P2X4R gating and ethanol inhibits channel functioning via a mechanism different from that in other P2XRs. Key findings from the study include: 1) ethanol inhibits ATP-gated currents in a rapid manner; 2) ethanol inhibition of ATP-gated currents does not depend on voltage and ATP concentration; 3) residues 331 and 336 slow P2X4 current deactivation and regulate the inhibitory effects of ethanol; and 4) ethanol effects are similar in HEK293 cells transfected with P2X4Rs and cultured rat hippocampal neurons transduced with P2X4Rs using a recombinant lentiviral system. Overall, these findings provide key information regarding the mechanism of ethanol action on ATP-gated currents in P2X4Rs and provide new insights into the biophysical properties of P2X4Rs. PMID:21212160

K 2x Sn 4-x S 8-x (x = 0.65–1): a new metal sulfide for rapid and selective removal of Cs + , Sr 2+ and UO 2 2+ ions

DOE PAGES

Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; ...

2015-10-27

The fission of uranium produces radionuclides, 137Cs and 90Sr, which are major constituents of spent nuclear fuel. The half-life of 137Cs and 90Sr is nearly 30 years and thus that makes them harmful to human life and the environment. The selective removal of these radionuclides in the presence of high salt concentrations from industrial nuclear waste is necessary for safe storage. We report the synthesis and crystal structure of K 2xSn 4-xS 8-x (x = 0.65–1, KTS-3) a material which exhibits excellent Cs +, Sr 2+ and UO 2 2+ ion exchange properties in varying conditions. Furthermore, the compound adoptsmore » a layered structure which consists of exchangeable potassium ions sandwiched between infinite layers of octahedral and tetrahedral tin centers. K 2xSn 4-xS 8-x (x = 0.65–1, KTS-3) crystallizes in the monoclinic space group P2 1/c with cell parameters a = 13.092(3) Å, b = 16.882(2) Å, c = 7.375(1) Å and β = 98.10(1)°. Refinement of the single crystal diffraction data revealed the presence of Sn vacancies in the tetrahedra that are long range ordered. The interlayer potassium ions of KTS-3 can be exchanged for Cs +, Sr 2+ and UO 2 2+. KTS-3 exhibits rapid and efficient ion exchange behavior in a broad pH range. The distribution coefficients (K d) for KTS-3 are high for Cs + (5.5 × 10 4), Sr 2+ (3.9 × 10 5) and UO 2 2+ (2.7 × 10 4) at neutral pH (7.4, 6.9, 5.7 ppm Cs +, Sr 2+ and UO 2 2+, respectively; V/m ~ 1000 mL g -1). KTS-3 exhibits impressive Cs +, Sr 2+ and UO 2 2+ ion exchange properties in high salt concentration and over a broad pH range, which coupled with the low cost, environmentally friendly nature and facile synthesis underscores its potential in treating nuclear waste.« less

New molecular assemblies of redox isomers, [CrIII(X4SQ)3-n(X4Cat)n]-n (X = Cl and Br; n = 0, 1, and 2), with metallocenium cations, [MIIICp2]+ (M = Co and Fe): X-ray crystal structures and physical properties.

PubMed

Chang, H C; Miyasaka, H; Kitagawa, S

2001-01-01

A series of redox isomers of [CrIII(X4SQ)(X4Cat)2]2-, [CrIII(X4SQ)2(X4Cat)]-, and [CrIII(X4SQ)3]0 (X = Cl and Br, SQ = semiquinonate, and Cat = catecholate) have been synthesized and characterized as charge-transfer (CT) compounds with metallocenium cations: (CoIIICp2)2[CrIII(Cl4SQ)(Cl4Cat)2] (1), (CoIIICp2)2[CrIII(Br4SQ)(Br4Cat)2] (2), (FeIIICp2)[CrIII(Cl4SQ)2(Cl4Cat)].C6H6 (4), (FeIIICp2)[CrIII(Br4SQ)2(Br4Cat)].CS2 (5), and (FeIIICp2)[CrIII(Cl4SQ)2(Cl4Cat)][CrIII(Cl4SQ)3] (6). First, the oxidation states of the chromium complexes are strongly dependent on the redox potentials of the metallocenes used. The CoIICp2, exhibiting stronger reduction power than FeIICp2, is useful for two-electron reduction of the [CrIII(X4SQ)3]0, affording [CrIII(X4SQ)(X4Cat)2]2- (1 and 2), which are first isolated and crystallographically characterized in the solid state. In contrast the reaction with FeIICp2 affords only [CrIII(X4SQ)2(X4Cat)]- (4 and 5). Second, solvents influence crystal structures of these compounds. The solvent set of C6H6/CS2 gives 1:1:C6H6 compound 4 with unique charged anions, [CrIII(Cl4SQ)2(Cl4Cat)]-, while the other set, n-C6H12/CS2, affords 1:2 compound 6 including the two redox isomers, [CrIII(Cl4SQ)2(Cl4Cat)]- and [CrIII(Cl4SQ)3]0. The [CrIII(X4SQ)(X4Cat)2]2- anions in 1 and 2 show no significant interconnection between them (discrete type), while the [CrIII(X4SQ)2(X4Cat)]- anions in 4-6 show one-dimensional column-type structures with the aid of intermolecular stacking interactions of the ligand moieties. The anions in 4 show additional stacking interaction with the [FeIIICp2]+ to form one-dimensional ...[D][A][S][D][A]... (D = [FeIIICp2]+, A = [CrIII(Cl4SQ)2(Cl4Cat)]-, and S = C6H6) type mixed-stack arrangements similar to that of previously reported (CoIIICp2)[CrIII(Cl4SQ)2(Cl4Cat)].C6H6 (3). Compound 6 forms a two-dimensional sheet structure where the two redox isomers, [CrIII(Cl4SQ)2(Cl4Cat)]- and [CrIII(Cl4SQ)3]0, are included. The sheet is regarded

Phosphoinositides Regulate P2X4 ATP-Gated Channels through Direct Interactions

PubMed Central

Bernier, Louis-Philippe; Ase, Ariel R.; Chevallier, Stéphanie; Blais, Dominique; Zhao, Qi; Boué-Grabot, Éric; Logothetis, Diomedes; Séguéla, Philippe

2008-01-01

P2X receptors are ATP-gated nonselective cation channels highly permeable to calcium that contribute to nociception and inflammatory responses. The P2X4 subtype, upregulated in activated microglia, is thought to play a critical role in the development of tactile allodynia following peripheral nerve injury. Posttranslational regulation of P2X4 function is crucial to the cellular mechanisms of neuropathic pain, however it remains poorly understood. Here, we show that the phosphoinositides PI(4,5)P2 (PIP2) and PI(3,4,5)P3 (PIP3), products of phosphorylation by wortmannin-sensitive phosphatidylinositol 4-kinases and phosphatidylinositol 3-kinases, can modulate the function of native and recombinant P2X4 receptor channels. In BV-2 microglial cells, depleting the intracellular levels of PIP2 and PIP3 with wortmannin significantly decreased P2X4 current amplitude and P2X4-mediated calcium entry measured in patch clamp recordings and ratiometric ion imaging, respectively. Wortmannin-induced depletion of phosphoinositides in Xenopus oocytes decreased the current amplitude of P2X4 responses by converting ATP into a partial agonist. It also decreased their recovery from desensitization and affected their kinetics. Injection of phosphoinositides in wortmannin-treated oocytes reversed these effects and application of PIP2 on excised inside-out macropatches rescued P2X4 currents from rundown. Moreover, we report the direct interaction of phospholipids with the proximal C-terminal domain of P2X4 subunit (Cys360-Val375) using an in vitro binding assay. These results demonstrate novel regulatory roles of the major signaling phosphoinositides PIP2 and PIP3 on P2X4 function through direct channel-lipid interactions. PMID:19036987

Physical Therapy, AFSC 4J0X2

DTIC Science & Technology

1998-05-01

TABLE 19 HYDROTHERAPY EQUIPMENT USED OR OPERATED BY 20 PERCENT OR MORE OF 4J0X2 FIRST-JOB OR FIRST-ENLISTMENT PERSONNEL 37 TABLE 20 MEASUREMENT...which had responses of greater than 20 percent) (see Table 18) 9 types of hydrotherapy equipment (7 of which had responses greater than 20 percent...75 89 84 64 60 33 33 72 65 36 TABLE 19 HYDROTHERAPY EQUIPMENT USED OR OPERATED BY 20 PERCENT OR MORE OF 4J0X2 FIRST-JOB OR FIRST-ENLISTMENT

Distinct local structure of superconducting Ca10M4As8(Fe2As2)5 (M =Pt ,Ir)

NASA Astrophysics Data System (ADS)

Paris, E.; Wakita, T.; Proux, O.; Yokoya, T.; Kudo, K.; Mitsuoka, D.; Kimura, T.; Fujimura, K.; Nishimoto, N.; Ioka, S.; Nohara, M.; Mizokawa, T.; Saini, N. L.

2017-12-01

We have studied the local structure of superconducting Ca10Pt4As8(Fe2As2)5 (Pt10418) and Ca10Ir4As8(Fe2As2)5 (Ir10418) iron arsenides, showing different transition temperatures (Tc=38 and 16 K, respectively), by polarized Fe K -edge extended x-ray absorption fine-structure measurements. Despite the similar average crystal structures, the local structures of the FeAs4 tetrahedra in the two compounds are found to be very different. The FeAs4 in Pt10418 is close to a regular tetrahedron, while it deviates largely in Ir10418. The Fe-Fe correlations in the two compounds are characterized by similar bond-length characteristics; however, the static disorder in Pt10418 is significantly lower than that in Ir10418. The results suggest that the optimized local structure and reduced disorder are the reasons for higher Tc and well-defined electronic states in Pt10418 unlike Ir10418 showing the coexistence of glassy and normal electrons at the Fermi surface, and hence provide direct evidence of the local-structure-driven optimization of the electronic structure and superconductivity in iron arsenides.

Optical and magneto-optical effects in Hg{sub 1-x}Cd{sub x}Cr{sub 2}Se{sub 4} (0 ⩽ x ⩽ 1) single crystals

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

Sukhorukov, Yu. P., E-mail: suhorukov@imp.uran.ru; Telegin, A. V.; Bebenin, N. G.

2015-09-15

The concentration, temperature, and magnetic-field dependences of the magnetoreflection and magnetotransmission of natural light in the infrared spectral range and the Kerr effect in single crystals of ferromagnetic Hg{sub 1-x}Cd{sub x}Cr{sub 2}Se{sub 4} (0 ⩽ x ⩽ 1) spinels have been studied. A relationship of the magneto-optical properties to the electronic band structure of spinels has been established. The most significant changes in the spectra of magnetoreflection, magnetotransmission, and the Kerr effect are shown to be observed for 0.1 < x < 0.25 and are attributable to a rearrangement of the band structure as the composition changes.

Thermal conductivity of (Np0.20Pu0.50Am0.25Cm0.05)O2-x solid solutions

NASA Astrophysics Data System (ADS)

Nishi, Tsuyoshi; Takano, Masahide; Akabori, Mitsuo; Arai, Yasuo

2013-09-01

The authors prepared the sintered sample of (Np0.20Pu0.50Am0.25Cm0.05)O2-x (2 - x = 1.98, 1.96) solid solution and evaluated the dependence of the thermal conductivity on storage time and temperature. The heat capacity of (Np0.20Pu0.50Am0.25Cm0.05)O1.98 was measured between 324 and 1082 K by a drop calorimetry. The thermal diffusivity of (Np0.20Pu0.50Am0.25Cm0.05)O1.98 was measured when the storage time became 48, 216, 720 and 1584 h and that of (Np0.20Pu0.50Am0.25Cm0.05)O1.96 was measured when the storage time became 0,528 and 1386 h. In this study, the latter sample was annealed at 1423 K in vacuum with background pressure of less than 2.0 × 10-4 Pa just after the measurement on the storage time, 1386 h. The thermal diffusivity of (Np0.20Pu0.50Am0.25Cm0.05)O1.96 just after annealing returned to the values of the storage time, 0 h. This result reveals the thermal recovery behavior by annealing. The thermal conductivity of (Np0.20Pu0.50Am0.25Cm0.05)O2-x was determined from the measured thermal diffusivity, heat capacity and bulk density. The thermal conductivity of (Np0.20Pu0.50Am0.25Cm0.05)O2-x exponentially decreased with increasing storage time. This result suggested that the decrease of the thermal conductivity was attributed to the accumulation of lattice defects caused by self-irradiation. The heat capacity of (Np0.20Pu0.50Am0.25Cm0.05)O1.98 was expressed by Cp (J mol-1 K-1) = 1.7314 × 10-2T + 75.720 - 1.0579 × 106 T-2. The heat capacity at higher than 473 K was almost close to those of stoichiometric actinide dioxide within at least ±5%. The thermal diffusivity of (Np0.20Pu0.50Am0.25Cm0.05)O2-x decreased with increasing storage time in the temperature range from 473 to 573 K. The decrease of the thermal diffusivity was attributed by the lattice defect rapidly accumulated by the α-decay of 244Cm. The thermal diffusivity of (Np0.20Pu0.50Am0.25Cm0.05)O1.96 just after annealing returned to the values of the storage time, 0 h. This result reveals the thermal

Surface functionalized Zr(0.75)Sn(0.25)O4 by SrO2 thick films as H2S gas sensors

NASA Astrophysics Data System (ADS)

Shelke, G. B.; Patil, D. R.

2018-05-01

Thick films of bulk tin oxide powder were observed to be less sensitive to polluting, hazardous and inflammable gases. So, nanostructured ZrxSn1-xO4 powder was synthesized by disc type ultrasonicated microwave assisted centrifuge technique. Thick films of nanostructured pure Zr(0.75)Sn(0.25)O4 powder were fabricated by screen printing technique. These films were surface functionalized by SrO2 for different intervals of time followed by firing at 450°C for 30 min. The surface morphology, chemical composition, crystal structure, electrical and gas sensing performance of the unmodified and surface functionalized nanostructured Zr(0.75)Sn(0.25)O4 powder by SrO2 have been investigated by FESEM, E-DAX, XRD, etc.

Micropore Formation of [Zn2(Oxac) (Taz)2]·(H2O)2.5 via CO2 Adsorption.

PubMed

Zubir, Moondra; Hamasaki, Atom; Iiyama, Taku; Ohta, Akira; Ohki, Hiroshi; Ozeki, Sumio

2017-01-24

As-synthesized [Zn 2 (Oxac) (Taz) 2 ]·(H 2 O) 2.5 , referred to as ZOTW 2.5 , was prepared from aqueous methanol solutions of Zn 5 (CO 3 ) 2 (OH) 6 and two kinds of ligands of 1,2,4-triazole (Taz) and oxalic acid (Oxac) at 453 K for 12 h. The crystal structure was determined by the Rietveld method. As-synthesized ZOTW 2.5 was pretreated at 383 K and 1 mPa for t pt h, ZOTW x (t pt h). ZOTW x (≥3h) showed a type I adsorption isotherm for N 2 at 77 K having a saturation amount (V s ) of 180 mg/g, but that pretreated shortly showed only 1/10 in V s . CO 2 was adsorbed at 303 K in sigmoid on nonporous ZOTW x (≤2h) and in Langmuir-type on ZOTW x (≥3h) to reach the adsorption amount of 120 mg/g at 700 Torr. N 2 adsorption on ZOTW x (≤2h)deCO 2 , degassed after CO 2 adsorption on ZOTW x (≤2h), was promoted 5-fold from 180 mg/g on ZOTW x (t pt h) and ZOTW x (≥3h)deCO 2 up to ca. 1000 mg/g. The interaction of CO 2 and H 2 O molecules in micropores may lead to a new route for micropore formation.

Structural transformation in nano-structured CuAl{sub x}Cr{sub x}Fe{sub 2-2x}O{sub 4} system

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

Mehta, D. K., E-mail: daxabjoshi@gmail.com; Chhantbar, M. C.; Joshi, H. H.

Polycrystalline spinel ferrite system CuAl{sub x}Cr{sub x}Fe{sub 2-2x}O{sub 4} (x=0.2, 0.6) was synthesized by solid-state reaction route. Nanoparticles of the samples have been prepared by using high energy ball milling technique with different milling durations and characterized by X-ray Diffraction and Tunneling Electron Microscope. It is observed that the structural transformation occurred from Cubic to tetragonal and particle size varied between 29 nm -14 nm with increase of milling time.

Enhancement of the physical properties of novel (1- x) NiFe2O4 + ( x) Al2O3 nanocomposite

NASA Astrophysics Data System (ADS)

Mansour, S. F.; Ahmed, M. A.; El-Dek, S. I.; Abdo, M. A.; Kora, H. H.

2017-07-01

NiFe2O4, Al2O3 and their nanocomposites; (1- x) NiFe2O4 + ( x) Al2O3, 0.0 ≤ x ≤ 1; were synthesized using the citrate-nitrate technique. The crystal structure was examined by X-ray diffraction, the microstructure was observed by transmission electron microscopy. The Curie temperature T C grows until reaching more than 1100 K with increasing alumina content ( x), while the saturation magnetization ( M s) decreased. The large improvement of room temperature resistivity which achieved two orders of magnitude from x = 0 to x = 70% was interpreted from the fact that the NiFe2O4 grains become electrically isolated and the conduction path is broken by the insulating Al2O3 nanoparticulates in the composite. The electrical properties of the nanocomposite could thus be tuned easily by adjusting the Al2O3 ratio to realize the targeted value of losses and resistivity at any temperature and frequency.

P2X4 Receptor in Silico and Electrophysiological Approaches Reveal Insights of Ivermectin and Zinc Allosteric Modulation

PubMed Central

Latapiat, Verónica; Rodríguez, Felipe E.; Godoy, Francisca; Montenegro, Felipe A.; Barrera, Nelson P.; Huidobro-Toro, Juan P.

2017-01-01

-gated currents comparable to those of wild-type P2X4R. Finally, a P2X4/2R chimera did not respond to IVM but Zn(II) elicited a 2.7 ± 0.6-fold increase in the ATP-gated current. The application of IVM plus Zn(II) evoked a 2.7 ± 0.9-fold increase in the ATP-gated currents. In summary, allosteric modulators caused additive ATP-gated currents; consistent with lateral fenestration enlargement. Energy calculations demonstrated a favorable transition of the holo receptor state following both allosteric modulators binding, as expected for allosteric interactions. PMID:29326590

Charge distribution and local structure and speciation in the UO 2+x and PuO 2+x binary oxides for x⩽0.25

NASA Astrophysics Data System (ADS)

Conradson, Steven D.; Begg, Bruce D.; Clark, David L.; den Auwer, Christophe; Ding, Mei; Dorhout, Peter K.; Espinosa-Faller, Francisco J.; Gordon, Pamela L.; Haire, Richard G.; Hess, Nancy J.; Hess, Ryan F.; Webster Keogh, D.; Lander, Gerard H.; Manara, Dario; Morales, Luis A.; Neu, Mary P.; Paviet-Hartmann, Patricia; Rebizant, Jean; Rondinella, Vincenzo V.; Runde, Wolfgang; Drew Tait, C.; Kirk Veirs, D.; Villella, Phillip M.; Wastin, Franck

2005-02-01

The local structure and chemical speciation of the mixed valence, fluorite-based oxides UO 2+x (0.00⩽ x⩽0.20) and PuO 2+x/PuO 2+x-y(OH) 2y· zH 2O have been determined by U/Pu L III XAFS spectroscopy. The U spectra indicate (1) that the O atoms are incorporated as oxo groups at short (1.75 Å) U-O distances consistent with U(VI) concomitant with a large range of U displacements that reduce the apparent number of U neighbors and (2) that the UO 2 fraction remains intact implying that these O defects interact to form clusters and give the heterogeneous structure consistent with the diffraction patterns. The PuO 2+x system, which does not show a separate phase at its x=0.25 endpoint, also displays (1) oxo groups at longer 1.9 Å distances consistent with Pu(V+ δ), (2) a multisite Pu-O distribution even when x is close to zero indicative of the formation of stable species with H 2O and its hydrolysis products with O 2-, and (3) a highly disordered, spectroscopically invisible Pu-Pu component. The structure and bonding in AnO 2+x are therefore more complicated than have previously been assumed and show both similarities but also distinct differences among the different elements.

1. Credit WCT. Original 2 1/4" x 2 1/4" color ...

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

1. Credit WCT. Original 2- 1/4" x 2- 1/4" color negative is housed in the JPL Photography Laboratory, Pasadena, California. Photo shows John Morrow in charge of milling operations on coupons ("dogbones") of propellant on an Index milling machine. Coupons were milled to precise dimensions for tensile tests. Note that two sprinkler heads have been placed in very close proximity to the milling table for fire suppression purposes (JPL negative no. JPL-10283AC, 27 January 1989) - Jet Propulsion Laboratory Edwards Facility, Preparation Building, Edwards Air Force Base, Boron, Kern County, CA

Synthesis and Luminescence Properties of Blue Na(Sr0.97-xCa(x))PO4:0.03Eu2+ Phosphors for White Light Emitting Diode Applications.

PubMed

Hakeem, D A; Park, K

2015-07-01

The crystal structure and luminescence properties of Na(Sr0.97-xCax)PO4:0.03Eu2+ (0 < x < 1.0) phosphors were studied, depending on the Ca2+ concentration. All the Na(Sr0.97-xCax)PO4:0.03Eu2+ phosphors had a hexagonal crystal structure. The excitation spectra of the prepared phosphors showed a broad band ranging from 250 to 420 nm, which arises due to the 4f-5d transitions of Eu2+ ions. Upon the excitation of 334 nm wavelength, the emission spectra showed a broad blue band ranging from 400 to 700 nm peaking at 450 nm. Among the prepared phosphors, the Na(Sr0.72Ca0.25)PO4:0.03Eu2+ showed the strongest emission intensity and could be applied as a blue emitting phosphor for UV-based w-LEDs.

Evolution of magnetism in single-crystal C a 2 R u 1 - x I r x O 4 ( 0 ≤ x ≤ 0.65 )

DOE PAGES

Yuan, S. J.; Terzic, J.; Wang, J. C.; ...

2015-07-24

In this paper, we report structural, magnetic, transport, and thermal properties of single-crystal Ca 2Ru 1-xIr xO 4(0≤x≤0.65). Ca 2RuO 4 is a structurally driven Mott insulator with a metal-insulator transition at T MI=357K, which is well separated from antiferromagnetic order at T N=110K. Substitution of a 5d element, Ir, for Ru enhances spin-orbit coupling and locking between the structural distortions and magnetic moment canting. Ir doping intensifies the distortion or rotation of Ru/IrO 6 octahedra and induces weak ferromagnetic behavior along the c axis. In particular, Ir doping suppresses T N but concurrently causes an additional magnetic ordering Tmore » N2 at a higher temperature up to 210 K for x=0.65. The effect of Ir doping sharply contrasts with that of 3d-element doping such as Cr, Mn, and Fe, which suppresses T N and induces unusual negative volume thermal expansion. Finally, the stark difference between 3d- and 5d-element doping underlines a strong magnetoelastic coupling inherent in the Ir-rich oxides.« less

Crystal structure, Raman scattering and magnetic properties of CuCr2-xZrxSe4 and CuCr2-xSnxSe4 selenospinels

NASA Astrophysics Data System (ADS)

Pinto, C.; Galdámez, A.; Barahona, P.; Moris, S.; Peña, O.

2018-06-01

Selenospinels, CuCr2-xMxSe4 (M = Zr and Sn), were synthesized via conventional solid-state reactions. The crystal structure of CuCr1.5Sn0.5Se4, CuCr1.7Sn0.3Se4, CuCr1.5Zr0.5Se4, and CuCr1.8Zr0.2Se4 were determined using single-crystal X-ray diffraction. All the phases crystallized in a cubic spinel-type structure. The chemical compositions of the single-crystals were examined using energy-dispersive X-ray analysis (EDS). Powder X-ray diffraction patterns of CuCr1.3Sn0.7Se4 and CuCr1.7Sn0.3Se4 were consistent with phases belonging to the Fd 3 bar m Space group. An analysis of the vibrational properties on the single-crystals was performed using Raman scattering measurements. The magnetic properties showed a spin glass behavior with increasing Sn content and ferromagnetic order for CuCr1.7Sn0.3Se4.

The crystal structures of Ni{sub 3+x}Sn{sub 4}Zn and Ni{sub 6+x}Sn{sub 8}Zn and their structural relations to Ni{sub 3+x}Sn{sub 4}, NiSn and Ni{sub 5−δ}ZnSn{sub 4}

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

Schmetterer, Clemens, E-mail: clemens.schmetterer@univie.ac.at; Effenberger, Herta Silvia; Rajamohan, Divakar

2016-06-15

The crystal structures of two new compounds were determined from single-crystal X-ray diffraction measurements: Ni{sub 3+x}Sn{sub 4}Zn, (x~1.35, a=7.110(2) Å, b=4.123(1) Å, c=10.346(3) Å, β=90.23(2)°, space group I2/m, Z=2. R1=0.025, wR2=0.059 for 748 unique reflections, 35 variable parameters) and Ni{sub 6+x}Sn{sub 8}Zn, x~1.35 (a=12.379(3) Å, b=4.095(1) Å, c=12.155(3) Å, β=116.25(3)°, space group C2/m, Z=2. R1=0.026, wR2=0.052 for 1346 unique reflections, 60 variable parameters). In addition, a structural refinement was performed for Ni{sub 3+x}Sn{sub 4}, x~0.13 (a=12.264(3) Å, b=4.066(1) Å, c=5.223(2) Å, β=104.85(3)°, space group C2/m, Z=2. R1=0.019, wR2=0.046 for 617 unique reflections, 29 variable parameters). The three compounds show pronouncedmore » similarities among each other as well as to the crystal structures of surrounding binary Ni–Sn and ternary Ni–Sn–Zn compounds. In particular, the two new compounds form a homologous series with Ni{sub 3+x}Sn{sub 4}, x~0.13. They contain “Ni{sub 4}Sn{sub 4}” and “Ni{sub 2}Sn{sub 4}” building blocks which by different interconnection build up the distinct structures. Topological relations with NiSn and Ni{sub 5−δ}Sn{sub 4}Zn, δ~0.25 are evident. - Graphical abstract: Projection of the structure of Ni{sub 6+x}ZnSn{sub 8}, x~1.35 and constituent building blocks. Display Omitted - Highlights: • The crystal structures of Ni{sub 6+x}Sn{sub 8}Zn and Ni{sub 3+x}Sn{sub 4}Zn were determined using single crystal XRD. • Topological relations to Ni–Sn and Ni–Sn–Zn compounds were established and discussed. • Common structural units were identified and their interconnection patterns described.« less

Polaronic transport and thermoelectricity in Fe1 -xCoxSb2S4 (x =0 , 0.1, and 0.2)

NASA Astrophysics Data System (ADS)

Liu, Yu; Kang, Chang-Jong; Stavitski, Eli; Du, Qianheng; Attenkofer, Klaus; Kotliar, G.; Petrovic, C.

2018-04-01

We report a study of Co-doped berthierite Fe1 -xCoxSb2S4 (x =0 , 0.1, and 0.2). The alloy series of Fe1 -xCoxSb2S4 crystallize in an orthorhombic structure with the Pnma space group, similar to FeSb2, and show semiconducting behavior. The large discrepancy between activation energy for conductivity, Eρ (146 ˜270 meV ), and thermopower, ES (47 ˜108 meV ), indicates the polaronic transport mechanism. Bulk magnetization and heat-capacity measurements of pure FeSb2S4 (x =0 ) exhibit a broad antiferromagnetic transition (TN=46 K ) followed by an additional weak transition (T*=50 K ). Transition temperatures (TN and T*) slightly decrease with increasing Co content x . This is also reflected in the thermal conductivity measurement, indicating strong spin-lattice coupling. Fe1 -xCoxSb2S4 shows relatively high value of thermopower (up to ˜624 μ V K-1 at 300 K) and thermal conductivity much lower when compared to FeSb2, a feature desired for potential applications based on FeSb2 materials.

In Situ X-ray Diffraction Studies of Li(sub x)Mn(sub 2)O(sub 4) Cathode Materials by Synchrotron X-ray Radiation

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

Yang, X. Q.; Sun, X.; Lee, S. J.

In Situ x-ray diffraction studies on Li{sub x}Mn{sub 2}O{sub 4} spinel cathode materials during charge-discharge cycles were carried out by using a synchrotron as x-ray source. Lithium rich (x = 1.03-1.06) spinel materials obtained from two different sources were studied. Three cubic phases with different lattice constants were observed during charge-discharge cycles in all the samples when a Sufficiently low charge-discharge rate (C/10) was used. There are two regions of two-phase coexistence between these three phases, indicating that both phase transitions are first order. The separation of the Bragg peaks representing these three phases varies from sample to sample andmore » also depends on the charge-discharge rate. These results show that the de-intercalation of lithium in lithium-rich spinel cathode materials proceeds through a series of phase transitions from a lithium-rich phase to a lithium-poor phase and finally to a {lambda}-MnO{sub 2} like cubic phase, rather than through a continuous lattice constant contraction in a single phase.« less

Structure determination of two structural analogs, named 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-fluorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16F2N4S) and 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-chlorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C23H16ClFN4S) by synchrotron X-ray powder diffraction

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

Gündoğdu, Gülsüm; Aytaç, Sevim Peri; Müller, Melanie

Two novel compounds, 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-fluorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C 23H 16F 2N 4S) (1) and 3-[1-(2-fluoro-4-biphenyl)ethyl]-6-(4-chlorophenyl)-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazole (C 23H 16ClFN 4S) (2), have been designed and synthesized as cytotoxic agents. The compounds were characterized by infrared, proton nuclear magnetic resonance, mass spectral data, elemental analysis and X-ray powder diffraction. The present study comprises spectral data and crystal structures of these novel compounds determined from synchrotron X-ray powder diffraction data. The structure solutions were obtained by simulated annealing. The final structures were achieved by Rietveld refinement using soft restraints for all bond lengths, bond angles, and planar groups. Both compounds crystallize in space groupmore » $$P\\bar 1$$,Z= 2, with the unit-cell parametersa= 6.37433(9),b= 11.3641(2),c= 14.09115(19) Å,α= 80.1740(8)°,β= 85.1164(8)°,γ= 80.9831(10)°,V= 991.55(3) Å 3of compound (1) anda= 6.53736(6),b= 11.55725(15),c= 14.01373(13) Å,α= 80.3323(7)°,β= 84.8939(6)°,γ= 79.3954(8)°,V= 1024.08(2) Å 3of compound (2). Structural analyses reveal that the title compounds are isostructural.« less

Credit WCT. Original 2Y4" x 2Y4" color negative is housed ...

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

Credit WCT. Original 2-Y4" x 2-Y4" color negative is housed in the JPL Photography Laboratory, Pasadena, California. JPL staff members Harold Anderson and John Morrow cast grain from the 1-gallon BakerPerkins model 4-PU mixer. A 1-pint Baker-Perkins model 2-PX mixer stands to the left in this view (JPL negative no. JPL-10295BC, 27 January 1989) - Jet Propulsion Laboratory Edwards Facility, Mixer & Casting Building, Edwards Air Force Base, Boron, Kern County, CA

Vibrational spectra of Mg2KH(XO4)2·15H2O (X = P, As) containing dimer units [H(XO4)2

NASA Astrophysics Data System (ADS)

Stefov, V.; Koleva, V.; Najdoski, M.; Abdija, Z.; Cahil, A.; Šoptrajanov, B.

2017-08-01

Infrared and Raman spectra of Mg2KH(PO4)2·15H2O and Mg2KH(AsO4)2·15H2O and a series of their partially deuterated analogues were recorded and analyzed. Compounds of the type Mg2KH(XO4)2·15H2O (X = P, As) are little-known and a rare case of phosphate and arsenate salts containing dimer units [H(XO4)2] in the crystal structure. The analysis of their IR spectra (recorded at room and liquid nitrogen temperature) and Raman spectra showed that the spectral characteristics of the XO4 groups connected in a dimer through a proton are not consistent with the presence of X-O-H covalent linkage and C1 crystallographic symmetry of the XO4 groups. The observation of a singlet Raman band for the ν1(XO4) mode as well as the absence of substantial splitting of the ν3(XO4) modes and IR activation of the ν1(XO4) mode suggest that the dimer units [H(XO4)2] are most probably symmetric rather than non-symmetric ones. It was found that, in the vibrational spectra of Mg2KH(AsO4)2·15H2O, both ν1(AsО4) and ν3(AsО4) modes have practically the same wavenumber around 830 cm- 1. It was also established that the ν4(PО4) modes in the deuterated hydrogendiphosphate compound are strongly coupled, most probably with HDO and/or D2O librations. As a whole, the spectral picture of Mg2KH(XO4)2·15H2O (X = P, As) very much resembles that observed for the struvite type compounds with the formula KMgXO4·6H2O (X = P, As) which do not contain X-OH groups. This means that vibrations of the dimers [H(XO4)2] play a relatively small part in the general spectral appearance.

Preparation of human Melanocortin-4 receptor agonist libraries: linear peptides X-Y-DPhe7-Arg8-Trp(or 2-Nal)9-Z-NH2.

PubMed

Cheung, Adrian Wai-Hing; Qi, Lida; Gore, Vijay; Chu, Xin-Jie; Bartkovitz, David; Kurylko, Grazyna; Swistok, Joseph; Danho, Waleed; Chen, Li; Yagaloff, Keith

2005-12-15

Two libraries of hMC4R agonists, X-Y-DPhe(7)-Arg(8)-2-Nal(9)-Z-NH(2) and X-Y-DPhe(7)-Arg(8)-Trp(9)-Z-NH(2), totaling 185 peptides were prepared using Irori radiofrequency tagging technology and Argonaut Quest 210 Synthesizer, where X stands for N-caps, Y for His(6) surrogates and Z for Gly(10) surrogates. As a result of this study, His-modified pentapeptides with Trp were found to be more hMC4R potent than the corresponding 2-Nal analogs, novel N-caps and Gly surrogates were identified and 19 new peptides which are potent hMC4R agonists (EC(50) 1-15nM) and selective against hMC1R were discovered.

La 2-xSr xCuO 4-δ superconducting samples prepared by the wet-chemical method

NASA Astrophysics Data System (ADS)

Loose, A.; Gonzalez, J. L.; Lopez, A.; Borges, H. A.; Baggio-Saitovitch, E.

2009-10-01

In this work, we report on the physical properties of good-quality polycrystalline superconducting samples of La 2-xSr xCu 1-yZn yO 4-δ ( y=0, 0.02) prepared by a wet-chemical method, focusing on the temperature dependence of the critical current. Using the wet-chemical method, we were able to produce samples with improved homogeneity compared to the solid-state method. A complete set of samples with several carrier concentrations, ranging from the underdoped (strontium concentration x≈0.05) to the highly overdoped ( x≈0.25) region, were prepared and investigated. The X-ray diffraction analysis, zero-field cooling magnetization and electrical resistivity measurements were reported on earlier. The structural parameters of the prepared samples seem to be slightly modified by the preparation method and their critical temperatures were lower than reported in the literature. The temperature dependence of the critical current was explained by a theoretical model which took the granular structure of the samples into account.

Activity and Stability of (Pr 1-xNd x) 2NiO 4 as Cathodes for Solid Oxide Fuel Cells: II. Electrochemical Performance and Performance Durability

DOE PAGES

Dogdibegovic, Emir; Guan, Wanbing; Yan, Jingbo; ...

2016-09-21

Single phase (Pr 1-xNd x) 2NiO 4 cathode powders (x = 0, 0.25, 0.50, 0.75, and 1.0) were synthesized via a glycine-nitrate combustion and high temperature calcination. Anode supported cells were used to investigate the cathode property. A reproducible performance, within 9% for each cathode composition, was observed providing a wealth of data for quantitative studies. Area specific resistance analysis and i-V measurements between 650 and 850°C showed a decrease in the cell performance with increasing Nd content. Impedance spectrum analysis suggests that the decline in performance results from an increase in electrode polarization. While Pr 2NiO 4 cells showedmore » significant performance degradation of 6.40%/1,000 hours, the degradation rate for (Pr 0.75Nd 0.25) 2NiO 4 cells was reduced by an order of magnitude (0.56%/1,000 hours) with a 7% lower power output. Furthermore, the cathodes with a higher Nd content showed further improvement in performance stability with a marginal degradation rate of 0.06%/1,000 hours.« less

Research on PM2.5 time series characteristics based on data mining technology

NASA Astrophysics Data System (ADS)

Zhao, Lifang; Jia, Jin

2018-02-01

With the development of data mining technology and the establishment of environmental air quality database, it is necessary to discover the potential correlations and rules by digging the massive environmental air quality information and analyzing the air pollution process. In this paper, we have presented a sequential pattern mining method based on the air quality data and pattern association technology to analyze the PM2.5 time series characteristics. Utilizing the real-time monitoring data of urban air quality in China, the time series rule and variation properties of PM2.5 under different pollution levels are extracted and analyzed. The analysis results show that the time sequence features of the PM2.5 concentration is directly affected by the alteration of the pollution degree. The longest time that PM2.5 remained stable is about 24 hours. As the pollution degree gets severer, the instability time and step ascending time gradually changes from 12-24 hours to 3 hours. The presented method is helpful for the controlling and forecasting of the air quality while saving the measuring costs, which is of great significance for the government regulation and public prevention of the air pollution.

Structures, thermal expansion properties and phase transitions of Er{sub x}Fe{sub 2-x}(MoO{sub 4}){sub 3} (0.0 {le} x {le} 2.0).

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

Cheng, Y. Z.; Wu, M. M.; Peng, J.

2007-05-03

Structures, thermal expansion properties and phase transitions of Er{sub x}Fe{sub 2-x}(MoO{sub 4}){sub 3} (0.0 {le} x {le} 2.0) have been investigated by X-ray diffraction and differential thermal analysis. The partial substitution of Er{sup 3+} for Fe{sup 3+} induces pronounced decreases in the phase transition temperature from monoclinic to orthorhombic structure. Rietveld analysis of the XRD data shows that both the monoclinic and orthorhombic Fe{sub 2}(MoO{sub 4}){sub 3}, as well as the orthorhombic Er{sub x}Fe{sub 2-x}(MoO{sub 4}){sub 3} (x {le} 0.8) have positive thermal expansion coefficients. However, the linear thermal expansion coefficients of Er{sub x}Fe{sub 2-x}(MoO{sub 4}){sub 3} (x = 0.6-2.0)more » decrease with increasing content of Er{sup 3+} and for x {ge} 1.0, compounds Er{sub x}Fe{sub 2-x}(MoO{sub 4}){sub 3} show negative thermal expansion properties. Attempts for making zero thermal expansion coefficient materials result in that very low negative thermal expansion coefficient of -0.60 x 10{sup -6} C in Er{sub 1.0}Fe{sub 1.0}(MoO{sub 4}){sub 3} is observed in the temperature range of 180-400 C, and zero thermal expansion is observed in Er{sub 0.8}Fe{sub 1.2}(MoO{sub 4}){sub 3} in the temperature range of 350-450 C. In addition, anisotropic thermal expansions are found for all the orthorhombic Er{sub x}Fe{sub 2-x}(MoO{sub 4}){sub 3} compounds, with negative thermal expansion coefficients along the a axes.« less

The stability of N-[2-(4-o-fluorophenylpiperazin-1-yl)ethyl]-2,5-dimethyl-1 -phenylpyrrole-3,4-dicarboximide in aqueous-organic solutions.

PubMed

Zajac, Marianna; Sobczak, Agnieszka; Malinka, Wiesław; Redzicka, Aleksandra

2010-01-01

The first-order reaction of solvolysis of N-[2-(4-o-fluorophenylpiperazin-1-yl)ethyl]-2,5-dimethyl-1-phenylpyrrole-3,4-dicarboximide (PDI) was investigated as a function of pH at 333, 328, 323, 318 and 308 K in the pH range 1.11 - 12.78. The decomposition of PDI was followed by the HPLC method (Nucleosil 10-C8 column (250 x 4 mm I.D., dp = 10 microm), mobile phase: 0.018 mol/L ammonia acetate - acetonitrile (40: 60 v/v), UV detector: 240 nm, flow rate: 1 mL/min. Specific acid-base catalysis involves solvolysis of the undissociated molecules of PDI catalyzed by hydroxide ions and spontaneous solvolysis of the undissociated and monoprotonated forms of PDI under the influence of solvents. The thermodynamic parameters of the reactions--activation energy (E(a)), enthalpy (DH(#)), entropy (DS(#))--were calculated.

The effect of doping Mg2+ on structure and properties of Sr(1.992-x)MgxSiO4: 0.008Eu2+ blue phosphor synthesized by co-precipitation method

NASA Astrophysics Data System (ADS)

Yang, Lingxiang; Wang, Jin-shan; Zhu, Da-chuan; Pu, Yong; Zhao, Cong; Han, Tao

2018-01-01

In order to improve the luminescence property of silicate phosphors, a series of Sr(1.992-x)MgxSiO4: 0.008Eu2+(x = 0, 0.25, 0.50, 0.75) blue phosphors have been synthesized using one-step calcination of a precursor prepared by chemical co-precipitation. And then the crystal structure and luminescence properties of the phosphors are investigated by means of X-Ray Diffraction and spectrophotometer. The results show that β-phase existed in the mixed phases of Sr2SiO4 (β+α‧) would transform to α‧-phase with Mg2+ ions doping into the silicate host until it disappeared. On the other hand, the introduction of Mg2+ ions can enhance the intensity of the excitation spectrum and promote the excitation sensitivity of Sr(1.992-x)MgxSiO4: 0.008Eu2+ phosphors in NUV region. Under NUV excitation at 350 nm, all samples exhibit a broadband emission in range of 400-550 nm due to the 4f65d1→4f7(8S7/2) transition of Eu2+ ions. According to Multi-peak fitting to emission spectra by Gauss method, the broad emission band consists of two single bands with peaks Em1 and Em2 locating at 460 and 490 nm, which corresponds to Eu2+ ions occupying the ten-fold oxygen-coordinated Sr1 site and the nine-fold oxygen-coordinated Sr2 site, respectively. The luminescence intensity of Sr(1.992-x)MgxSiO4:0.008Eu2+(x = 0, 0.25, 0.50, 0.75) blue phosphors has been enhanced remarkably after Mg2+ ions are added. Meanwhile, the chromaticity coordinates change from the blue-green region to the blue region as x moves from 0 to 0.75. Moreover, the decay curves are measured and can be well fitted with double exponential decay equation. It shows that the average lifetime is extended with the concentration of Mg2+ ions increasing. These results indicate that Sr(1.992-x)MgxSiO4: 0.008Eu2+(x = 0, 0.25, 0.50, 0.75) can be used as a potential blue phosphor in near UV-excited white LEDs.

Ammonium–cobalt–nickel phosphates, NH{sub 4}[Co{sub 1−x}Ni{sub x}PO{sub 4}]·H{sub 2}O

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

Torre-Fernández, Laura; Trobajo, Camino; Pedro, Imanol de

The ammonium–cobalt–nickel phosphates, NH{sub 4}[Co{sub 1−x}Ni{sub x}PO{sub 4}]·H{sub 2}O (x=0.00, 0.34, 0.59, 0.70, 1.00), and the deuterated forms, ND{sub 4}[Co{sub 1−x}Ni{sub x}PO{sub 4}]·D{sub 2}O (x=0.00, 0.38, 0.48, 0.69, 0.85), have been synthesized under mild hydrothermal conditions and characterised using X-ray and neutron diffraction, chemical and thermal analysis, and magnetic measurements. Their crystal structures, including hydrogen positions, were determined by Rietveld refinement using single-crystal X-ray and neutron powder diffraction data. The space group of these orthorhombic crystals modifies as a function of their composition. The magnetic susceptibility and magnetization measurements of these ammonium–cobalt–nickel phosphates show antiferromagnetic behaviour, and the Neel temperaturemore » evolves from 5.5 K (x=0.00) up to 13.2 K (x=1.00). - Graphical abstract: We obtained single crystals for all the members of the family. In this series, although all crystals are orthorhombic, the space group changes as a function of the composition, showing how the single-crystal diffraction data is capable to manifest structural subtleties that had not been described before for this group of materials. All the investigated materials behave antiferromagnetically with ordering temperatures from 5.5 K up to 13.2 K. Display Omitted - Highlights: • The ammonium–cobalt–nickel phosphates, NH{sub 4}[Co{sub 1−x}Ni{sub x}PO{sub 4}]·H{sub 2}O (x=0.00, 0.34, 0.59, 0.70, 1.00) and the deuterated forms ND4[Co1-xNixPO4]·D{sub 2}O (x=0.00, 0.38, 0.49, 0.68, 0.85) have synthesized by hydrothermal synthesis. • The structural studies of these compounds are introduced as a function of the composition. • The magnetic studies show an antiferromagnetically behavior with ordering temperatures from 5.5 K to 13.2 K.« less

Current technologies, economics, and perspectives for 2,5-dimethylfuran production from biomass-derived intermediates.

PubMed

Saha, Basudeb; Abu-Omar, Mahdi M

2015-04-13

Since the U.S. Department of Energy (DOE) published a perspective article that described the potential of the top ten biomass-derived platform chemicals as petroleum replacements for high-value commodity and specialty chemicals, researchers around the world have been motivated to develop technologies for the conversion of biomass and biomass-derived intermediates into chemicals and fuels. Among several biorefinery processes, the conversion of biomass carbohydrates into 2,5-dimethylfuran (DMF) has received significant attention because of its low oxygen content, high energy content, and high octane value. DMF can further serve as a petroleum-replacement, biorenewable feedstock for the production of p-xylene (pX). In this review, we aim specifically to present a concise and up-to-date analysis of DMF production technologies with a critical discussion on catalytic systems, mechanistic insight, and process economics, which includes sensitivity analysis, so that more effective catalysts can be designed. Special emphasis has been given to bifunctional catalysts that improve DMF yields and selectivity and the synergistic effect of the bifunctional sites. Process economics for the current processes and the scope for further improvement are discussed. It is anticipated that the chemistry detailed in this review will guide researchers to develop more practical catalytic processes to enable the economic production of bio-based DMF. Processes for the upgrade of DMF to pX are also described. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High-Throughput Synthesis and Characterization of Eu Doped Ba xSr2- xSiO4 Thin Film Phosphors.

PubMed

Frost, Sara; Guérin, Samuel; Hayden, Brian E; Soulié, Jean-Philippe; Vian, Chris

2018-06-20

High-throughput techniques have been employed for the synthesis and characterization of thin film phosphors of Eu-doped Ba x Sr 2- x SiO 4 . Direct synthesis from evaporation of the constituent elements under a flux of atomic oxygen on a sapphire substrate at 850 °C was used to directly produce thin film libraries (415 nm thickness) of the crystalline orthosilicate phase with the desired compositional variation (0.24 > x > 1.86). The orthosilicate phase could be synthesized as a pure, or predominantly pure, phase. Annealing the as synthesized library in a reducing atmosphere resulted in the reduction of the Eu while retaining the orthosilicate phase, and resulted in a materials thin film library where fluorescence excited by blue light (450 nm) was observable by the naked eye. Parallel screening of the fluorescence from the combinatorial libraries of Eu doped Ba x Sr 2- x SiO 4 has been implemented by imaging the fluorescent radiation over the library using a monochrome digital camera using a series of color filters. Informatics tools have been developed to allow the 1931 CIE color coordinates and the relative quantum efficiencies of the materials library to be rapidly assessed and mapped against composition, crystal structure and phase purity. The range of compositions gave values of CIE x between 0.17 and 0.52 and CIE y between 0.48 and 0.69 with relative efficiencies in the range 2.0 × 10 -4 -7.6 × 10 -4 . Good agreement was obtained between the thin film phosphors and the fluorescence characteristics of a number of corresponding bulk phosphor powders. The thermal quenching of fluorescence in the thin film libraries was also measured in the temperature range 25-130 °C: The phase purity of the thin film was found to significantly influence both the relative quantum efficiency and the thermal quenching of the fluorescence.

Vibrational spectra of Mg2KH(XO4)2·15H2O (X=P, As) containing dimer units [H(XO4)2].

PubMed

Stefov, V; Koleva, V; Najdoski, M; Abdija, Z; Cahil, A; Šoptrajanov, B

2017-08-05

Infrared and Raman spectra of Mg 2 KH(PO 4 ) 2 ·15H 2 O and Mg 2 KH(AsO 4 ) 2 ·15H 2 O and a series of their partially deuterated analogues were recorded and analyzed. Compounds of the type Mg 2 KH(XO 4 ) 2 ·15H 2 O (X=P, As) are little-known and a rare case of phosphate and arsenate salts containing dimer units [H(XO 4 ) 2 ] in the crystal structure. The analysis of their IR spectra (recorded at room and liquid nitrogen temperature) and Raman spectra showed that the spectral characteristics of the XO 4 groups connected in a dimer through a proton are not consistent with the presence of X-O-H covalent linkage and C 1 crystallographic symmetry of the XO 4 groups. The observation of a singlet Raman band for the ν 1 (XO 4 ) mode as well as the absence of substantial splitting of the ν 3 (XO 4 ) modes and IR activation of the ν 1 (XO 4 ) mode suggest that the dimer units [H(XO 4 ) 2 ] are most probably symmetric rather than non-symmetric ones. It was found that, in the vibrational spectra of Mg 2 KH(AsO 4 ) 2 ·15H 2 O, both ν 1 (AsО 4 ) and ν 3 (AsО 4 ) modes have practically the same wavenumber around 830cm -1 . It was also established that the ν 4 (PО 4 ) modes in the deuterated hydrogendiphosphate compound are strongly coupled, most probably with HDO and/or D 2 O librations. As a whole, the spectral picture of Mg 2 KH(XO 4 ) 2 ·15H 2 O (X=P, As) very much resembles that observed for the struvite type compounds with the formula KMgXO 4 ·6H 2 O (X=P, As) which do not contain X-OH groups. This means that vibrations of the dimers [H(XO 4 ) 2 ] play a relatively small part in the general spectral appearance. Copyright © 2017 Elsevier B.V. All rights reserved.

Calcium release through P2X4 activates calmodulin to promote endolysosomal membrane fusion.

PubMed

Cao, Qi; Zhong, Xi Zoë; Zou, Yuanjie; Murrell-Lagnado, Ruth; Zhu, Michael X; Dong, Xian-Ping

2015-06-22

Intra-endolysosomal Ca(2+) release is required for endolysosomal membrane fusion with intracellular organelles. However, the molecular mechanisms for intra-endolysosomal Ca(2+) release and the downstream Ca(2+) targets involved in the fusion remain elusive. Previously, we demonstrated that endolysosomal P2X4 forms channels activated by luminal adenosine triphosphate in a pH-dependent manner. In this paper, we show that overexpression of P2X4, as well as increasing endolysosomal P2X4 activity by alkalinization of endolysosome lumen, promoted vacuole enlargement in cells and endolysosome fusion in a cell-free assay. These effects were prevented by inhibiting P2X4, expressing a dominant-negative P2X4 mutant, and disrupting the P2X4 gene. We further show that P2X4 and calmodulin (CaM) form a complex at endolysosomal membrane where P2X4 activation recruits CaM to promote fusion and vacuolation in a Ca(2+)-dependent fashion. Moreover, P2X4 activation-triggered fusion and vacuolation were suppressed by inhibiting CaM. Our data thus suggest a new molecular mechanism for endolysosomal membrane fusion involving P2X4-mediated endolysosomal Ca(2+) release and subsequent CaM activation. © 2015 Cao et al.

Calcium release through P2X4 activates calmodulin to promote endolysosomal membrane fusion

PubMed Central

Cao, Qi; Zhong, Xi Zoë; Zou, Yuanjie; Murrell-Lagnado, Ruth; Zhu, Michael X.

2015-01-01

Intra-endolysosomal Ca2+ release is required for endolysosomal membrane fusion with intracellular organelles. However, the molecular mechanisms for intra-endolysosomal Ca2+ release and the downstream Ca2+ targets involved in the fusion remain elusive. Previously, we demonstrated that endolysosomal P2X4 forms channels activated by luminal adenosine triphosphate in a pH-dependent manner. In this paper, we show that overexpression of P2X4, as well as increasing endolysosomal P2X4 activity by alkalinization of endolysosome lumen, promoted vacuole enlargement in cells and endolysosome fusion in a cell-free assay. These effects were prevented by inhibiting P2X4, expressing a dominant-negative P2X4 mutant, and disrupting the P2X4 gene. We further show that P2X4 and calmodulin (CaM) form a complex at endolysosomal membrane where P2X4 activation recruits CaM to promote fusion and vacuolation in a Ca2+-dependent fashion. Moreover, P2X4 activation-triggered fusion and vacuolation were suppressed by inhibiting CaM. Our data thus suggest a new molecular mechanism for endolysosomal membrane fusion involving P2X4-mediated endolysosomal Ca2+ release and subsequent CaM activation. PMID:26101220

Existence of Fe{sup 4+} ions in Co{sub 2.25}Fe{sub 0.75}O{sub 4} spinel ferrite confirmed from SXRD and XANES spectroscopy

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

Panda, Manas Ranjan, E-mail: manasranjan056@gmail.com; Bhowmik, R. N.; Sinha, A. K.

2015-06-24

The Co{sub 2.25}Fe{sub 0.75}O{sub 4} ferrite composition has been prepared by chemical co-precipitation route. The as-prepared sample after annealing at 900°C in air formed single phase cubic spinel structure. Synchrotron X-ray diffraction and X-ray absorption near edge structure (XANES) measurements were used to study charge states of the cations in octahedral and tetrahedral sites of the cubic spinel structure. Raman spectra indicated normal cubic spinel structure. XANES data suggested the existence of Fe{sup 4+} ions in the spinel structure.

Magnetic resonance studies of mixed chalcospinel CuCr2SxSe4-x (x = 0; 2) and CoxCu1-xCr2S4 (x = 0.1; 0.2) nanocrystals with strong interparticle interactions

NASA Astrophysics Data System (ADS)

Pankrats, A. I.; Vorotynov, A. M.; Tugarinov, V. I.; Zharkov, S. M.; Zeer, G. M.; Ramasamy, K.; Gupta, A.

2018-04-01

Magnetic resonance characteristics of mixed chalcospinel nanocrystals CuCr2SxSe4-x (x = 0 and 2) and CoxCu1-xCr2S4 (x = 0.1 and 0.2) have been investigated. It has been established based on TEM, SEM and resonance data that all the samples contain both blocks with sizes from 1 to 50 m of compacted nanosized crystallites and individual nanoparticles with sizes from 10 to 30 nm. The studies provide evidence of strong interparticle interaction in all the samples leading to high values of the blocking temperature. Magnetic dipolar field arise in the boundary regions of interacting adjacent nanocrystals below the blocking temperature. This results in inhomogeneous broadening of the magnetic resonance spectrum along with appearance of additional absorption lines. With increase in magnetic anisotropy at low temperatures, a shift of the resonance field along with line broadening are observed for all the studied compounds due to freezing of the moments in the nanoparticles, both in the individual and compacted ones. A gapped characteristic of the resonance spectrum is established below the freezing temperature Tfr, with the energy gap defined by the averaged magnetic anisotropy . Anionic substitution of sulfur by selenium results in a decrease in the magnetic anisotropy. In contrast, cationic substitution of copper by cobalt increases the magnetic anisotropy due to a strong contribution from the latter ion.

High voltage stable liquid electrolytes for Li 1+ xMn 2O 4/carbon rocking-chair lithium batteries

NASA Astrophysics Data System (ADS)

Guyomard, D.; Tarascon, J. M.

A high voltage oxidation-resistant electrolyte is required for Li 1+ xMn 2O 4/carbon rocking-chair cells that need to be charged up to a voltage higher than 4.3 V. Many electrolyte compositions have been tested for their ability to resist to high voltages on Li 1+ xMn 2O 4 electrodes and their ability to maintain high ionic conductivity in a wide temperature range. This survey allowed us to select new electrolyte compositions in the system dimethyl carbonate (DMC) + ethylene carbonate (EC) + lithium hexafluorophosphate (LiPF 6) that are kinetically stable up to almost 5 V versus lithium at 55 °C on Li 1+ xMn 2O 4 electrodes. Low rate potentiostatic experiments, coupled with coulombmetric measurements in the 4.25-5.1 V range, allowed to select the following compositions: (DMC + EC) (1:2) + 1 M LiPF 6 and (DMC + EC) (2:1) + 1.5 M LiPF 6 as the best. These compositions have been used in practical Li 1+ xMn 2O 4/carbon rocking-chair batteries and show better performance in terms of cycle life and self-discharge over a wider temperature range. They are compatible with rocking-chair batteries based on LiCoO 2 and LiNiO 2 as well.

X-4 in flight

NASA Technical Reports Server (NTRS)

1951-01-01

In the early days of transonic flight research, many aerodynamicists believed that eliminating conventional tail surfaces could reduce the problems created by shock wave interaction with the tail's lifting surfaces. To address this issue, the Army Air Forces's Air Technical Service awarded a contract to Northrop Aircraft Corporation on 5 April 1946 to build a piloted 'flying laboratory.' Northrop already had experience with tailless flying wing designs such as the N-1M, N-9M, XB-35, and YB-49. Subsequently, the manufacturer built two semi-tailless X-4 research aircraft, the first of which flew half a century ago. The X-4 was designed to investigate transonic compressibility effects at speeds near Mach 0.85 to 0.88, slightly below the speed of sound. Northrop project engineer Arthur Lusk designed the aircraft with swept wings and a conventional fuselage that housed two turbojet engines. It had a vertical stabilizer, but no horizontal tail surfaces. It was one of the smallest X-planes ever built, and every bit of internal space was used for systems and instrumentation. The first X-4 arrived at Muroc Air Force Base by truck on 15 November 1948. Over the course of several weeks, engineers conducted static tests, and Northrop test pilot Charles Tucker made initial taxi runs. Although small of stature, he barely fit into the diminutive craft. Tucker, a veteran Northrop test pilot, had previously flown the XB-35 and YB-49 flying wing bomber prototypes. Prior to flying for Northrop, he had logged 400 hours in jet airplanes as a test pilot for Lockheed and the Air Force. He would now be responsible for completing the contractor phase of the X-4 flight test program. Finally, all was ready. Tucker climbed into the cockpit, and made the first flight on 15 December 1948. It only lasted 18 minutes, allowing just enough time for the pilot to become familiar with the basic handling qualities of the craft. The X-4 handled well, but Tucker noted some longitudinal instability at all

Solvatochromicity of 3-hydroxy-4-(1-(2,4-dihydroxyphenyl)-2-hydroxy-2,2-diphenylethylidene)cyclohexa-2,5-dienone for screening of solvents

NASA Astrophysics Data System (ADS)

Babu, D. Suresh; Singh, W. Marjit; Kalita, Dipjyoti; Baruah, Jubaraj B.

2010-01-01

The quinonic compound 3-hydroxy-4-(1-(2,4-dihydroxyphenyl)-2-hydroxy-2,2-diphenylethylidene)cyclohexa-2,5-dienone ( I) is synthesised by the reaction of benzil with 1,3-dihydroxybenzene in basic medium. Solution of this compound shows visibly distinct colour differences in different solvents. From the different absorption maxima of the compound in visible spectra it can be used as an excellent analytical reagent to screen different solvents.

Lead-free Perovskite Materials (NH4 )3 Sb2 Ix Br9-x.

PubMed

Zuo, Chuantian; Ding, Liming

2017-06-01

A family of perovskite light absorbers (NH 4 ) 3 Sb 2 I x Br 9-x (0≤x≤9) was prepared. These materials show good solubility in ethanol, a low-cost, hypotoxic, and environmentally friendly solvent. The light absorption of (NH 4 ) 3 Sb 2 I x Br 9-x films can be tuned by adjusting I and Br content. The absorption onset for (NH 4 ) 3 Sb 2 I x Br 9-x films changes from 558 nm to 453 nm as x changes from 9 to 0. (NH 4 ) 3 Sb 2 I 9 single crystals were prepared, exhibiting a hole mobility of 4.8 cm 2  V -1  s -1 and an electron mobility of 12.3 cm 2  V -1  s -1 . (NH 4 ) 3 Sb 2 I 9 solar cells gave an open-circuit voltage of 1.03 V and a power conversion efficiency of 0.51 %. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Macrophage P2X4 receptors augment bacterial killing and protect against sepsis

PubMed Central

Csóka, Balázs; Németh, Zoltán H.; Szabó, Ildikó; Davies, Daryl L.; Varga, Zoltán V.; Pálóczi, János; Falzoni, Simonetta; Di Virgilio, Francesco; Muramatsu, Rieko; Pacher, Pál

2018-01-01

The macrophage is a major phagocytic cell type, and its impaired function is a primary cause of immune paralysis, organ injury, and death in sepsis. An incomplete understanding of the endogenous molecules that regulate macrophage bactericidal activity is a major barrier for developing effective therapies for sepsis. Using an in vitro killing assay, we report here that the endogenous purine ATP augments the killing of sepsis-causing bacteria by macrophages through P2X4 receptors (P2X4Rs). Using newly developed transgenic mice expressing a bioluminescent ATP probe on the cell surface, we found that extracellular ATP levels increase during sepsis, indicating that ATP may contribute to bacterial killing in vivo. Studies with P2X4R-deficient mice subjected to sepsis confirm the role of extracellular ATP acting on P2X4Rs in killing bacteria and protecting against organ injury and death. Results with adoptive transfer of macrophages, myeloid-specific P2X4R-deficient mice, and P2rx4 tdTomato reporter mice indicate that macrophages are essential for the antibacterial, antiinflammatory, and organ protective effects of P2X4Rs in sepsis. Pharmacological targeting of P2X4Rs with the allosteric activator ivermectin protects against bacterial dissemination and mortality in sepsis. We propose that P2X4Rs represent a promising target for drug development to control bacterial growth in sepsis and other infections. PMID:29875325

Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4}: Novel keesterite type solid solutions

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

Lopez-Vergara, F., E-mail: fer_martina@u.uchile.cl; Galdamez, A., E-mail: agaldamez@uchile.cl; Manriquez, V.

2013-02-15

A new family of Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4} chalcogenides has been synthesized by conventional solid-state reactions at 850 Degree-Sign C. The reactions products were characterized by powder X-ray diffraction (XRD), energy-dispersive X-ray analysis (SEM-EDS), Raman spectroscopy and magnetic susceptibility. The crystal structures of two members of the solid solution series Cu{sub 2}Mn{sub 0.4}Co{sub 0.6}SnS{sub 4} and Cu{sub 2}Mn{sub 0.2}Co{sub 0.8}SnS{sub 4} have been determined by single-crystal X-ray diffraction. Both phases crystallize in the tetragonal keesterite-type structure (space group I4{sup Macron }). The distortions of the tetrahedral volume of Cu{sub 2}Mn{sub 0.4}Co{sub 0.6}SnS{sub 4} and Cu{sub 2}Mn{sub 0.2}Co{sub 0.8}SnS{sub 4}more » were calculated and compared with the corresponding differences in the Cu{sub 2}MnSnS{sub 4} (stannite-type) end-member. The compounds show nearly the same Raman spectral features. Temperature-dependent magnetization measurements (ZFC/FC) and high-temperature susceptibility indicate that these solid solutions are antiferromagnetic. - Graphical abstract: View along [100] of the Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4} structure showing tetrahedral units and magnetic measurement ZFC-FC at 500 Oe. The insert shows the 1/{chi}-versus-temperature plot fitted by a Curie-Weiss law. Highlights: Black-Right-Pointing-Pointer Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4} solid solutions belong to the family of compounds adamantine. Black-Right-Pointing-Pointer Resolved single crystals of the solid solutions have space group I4{sup Macron }. Black-Right-Pointing-Pointer The distortion of the tetrahedral volume of Cu{sub 2}Mn{sub 1-x}Co{sub x}SnS{sub 4} were calculated. Black-Right-Pointing-Pointer These solid solutions are antiferromagnetic.« less

Tunable Twin Matching Frequency (fm1/fm2) Behavior of Ni1-xZnxFe2O4/NBR Composites over 2-12.4 GHz: A Strategic Material System for Stealth Applications.

PubMed

Saini, Lokesh; Patra, Manoj Kumar; Jani, Raj Kumar; Gupta, Goutam Kumar; Dixit, Ambesh; Vadera, Sampat Raj

2017-03-15

The gel to carbonate precipitate route has been used for the synthesis of Ni 1-x Zn x Fe 2 O 4 (x = 0, 0.25, 0.5 and 0.75) bulk inverse spinel ferrite powder samples. The optimal zinc (50%) substitution has shown the maximum saturation magnetic moment and resulted into the maximum magnetic loss tangent (tanδ m ) > -1.2 over the entire 2-10 GHz frequency range with an optimum value ~-1.75 at 6 GHz. Ni 0.5 Zn 0.5 Fe 2 O 4 - Acrylo-Nitrile Butadiene Rubber (NBR) composite samples are prepared at different weight percentage (wt%) of ferrite loading fractions in rubber for microwave absorption evaluation. The 80 wt% loaded Ni 0.5 Zn 0.5 Fe 2 O 4 /NBR composite (FMAR80) sample has shown two reflection loss (RL) peaks at 5 and 10 GHz. Interestingly, a single peak at 10 GHz for 3.25 mm thickness, can be scaled down to 5 GHz by increasing the thickness up to 4.6 mm. The onset of such twin matching frequencies in FMAR80 composite sample is attributed to the spin resonance relaxation at ~5 GHz (f m1 ) and destructive interference at λ m /4 matched thickness near ~10 GHz (f m2 ) in these composite systems. These studies suggest the potential of tuning the twin frequencies in Ni 0.5 Zn 0.5 Fe 2 O 4 /NBR composite samples for possible microwave absorption applications.

1. Credit WCT. Original 2 1/4" x 2 1/4" color ...

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

1. Credit WCT. Original 2- 1/4" x 2- 1/4" color negative is housed in the JPL Photography Laboratory, Pasadena, California. This view shows the remote charge trimmer, a vertical lathe for turning propellant castings ("grain") in the front room of this structure. Ron Wright is shown in charge of the procedure; the hoist operator is unidentified. Grain for a BATES (Ballistic And Test Evaluation System) motor is being lowered into the lathe with a hoist and specially designed BATES fitting. The spout and waste barrel, in the foreground, collects waste trimmings for disposal (JPL negative no. JPL10286BC, 27 January 1989) - Jet Propulsion Laboratory Edwards Facility, Preparation Building, Edwards Air Force Base, Boron, Kern County, CA

A phase width for CaGaSn. Crystal structure of mixed intermetallic Ca{sub 4}Ga{sub 4+x}Sn{sub 4−x} and SmGa{sub x}Sn{sub 3−x}, stability, geometry and electronic structure

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

Tillard, Monique, E-mail: mtillard@univ-montp2.fr

X-ray single-crystal structure has been established for new compositions in intermetallic systems of tin and gallium. Crystals were successfully obtained in alloys prepared from elements. The structure of SmGaSn{sub 2} (cubic Pm3̄m, a=4.5778(8) Å, Z=1, R1=0.012) is described with atomic disorder at all Sn/Ga positions and the structure of Ca{sub 4}Ga{sub 4.9}Sn{sub 3.1} (hexagonal, P6{sub 3}/mmc, a=4.2233(9), c=17.601(7) Å, Z=1, R1=0.062) raises an interesting question about existence of a composition domain for CaGaSn. Finally, Ca{sub 4}Ga{sub 4.9}Sn{sub 3.1} should be considered as a particular composition of Ca{sub 4}Ga{sub 4+x}Sn{sub 4−x}, a compound assumed to exist in the range x ~more » 0−1. Partial atomic ordering characterizes the Sn/Ga puckered layers of hexagons whose geometries are analyzed and discussed comparatively with analogous arrangements in AlB{sub 2} related hexagonal compounds. The study is supported by rigid band model and DFT calculations performed for different experimental and hypothetic arrangements. - Graphical abstract: A phase width for Ca{sub 4}Ga{sub 4+x}Sn{sub 4−x} belonging to the hexagonal YPtAs structure-type. - Highlights: • Single crystals of mixed tin gallium ternary intermetallics were obtained. • Partial ordering at metal sites and phase width are evidenced for Ca{sub 4}Ga{sub 4+x}Sn{sub 4−x}. • Layer deviation to flatness is studied comparatively with related structures. • Geometry and stability analyses based on DFT calculations are provided.« less

Estimating PM2.5 speciation concentrations using prototype 4.4 km-resolution MISR aerosol properties over Southern California

NASA Astrophysics Data System (ADS)

Meng, Xia; Garay, Michael J.; Diner, David J.; Kalashnikova, Olga V.; Xu, Jin; Liu, Yang

2018-05-01

Research efforts to better characterize the differential toxicity of PM2.5 (particles with aerodynamic diameters less than or equal to 2.5 μm) speciation are often hindered by the sparse or non-existent coverage of ground monitors. The Multi-angle Imaging SpectroRadiometer (MISR) aboard NASA's Terra satellite is one of few satellite aerosol sensors providing information of aerosol shape, size and extinction globally for a long and continuous period that can be used to estimate PM2.5 speciation concentrations since year 2000. Currently, MISR only provides a 17.6 km product for its entire mission with global coverage every 9 days, a bit too coarse for air pollution health effects research and to capture local spatial variability of PM2.5 speciation. In this study, generalized additive models (GAMs) were developed using MISR prototype 4.4 km-resolution aerosol data with meteorological variables and geographical indicators, to predict ground-level concentrations of PM2.5 sulfate, nitrate, organic carbon (OC) and elemental carbon (EC) in Southern California between 2001 and 2015 at the daily level. The GAMs are able to explain 66%, 62%, 55% and 58% of the daily variability in PM2.5 sulfate, nitrate, OC and EC concentrations during the whole study period, respectively. Predicted concentrations capture large regional patterns as well as fine gradients of the four PM2.5 species in urban areas of Los Angeles and other counties, as well as in the Central Valley. This study is the first attempt to use MISR prototype 4.4 km-resolution AOD (aerosol optical depth) components data to predict PM2.5 sulfate, nitrate, OC and EC concentrations at the sub-regional scale. In spite of its low temporal sampling frequency, our analysis suggests that the MISR 4.4 km fractional AODs provide a promising way to capture the spatial hotspots and long-term temporal trends of PM2.5 speciation, understand the effectiveness of air quality controls, and allow our estimated PM2.5 speciation data to

Luminescence properties and energy transfer of site-sensitive Ca(6-x-y)Mg(x-z)(PO(4))(4):Eu(y)(2+),Mn(z)(2+) phosphors and their application to near-UV LED-based white LEDs.

PubMed

Kwon, Ki Hyuk; Im, Won Bin; Jang, Ho Seong; Yoo, Hyoung Sun; Jeon, Duk Young

2009-12-21

On the basis of the structural information that the host material has excellent charge stabilization, blue-emitting Ca(6-x-y)Mg(x)(PO(4))(4):Eu(y)(2+) (CMP:Eu(2+)) phosphors were synthesized and systematically optimized, and their photoluminescence (PL) properties were evaluated. Depending upon the amount of Mg added, the emission efficiency of the phosphors could be enhanced. The substitution of Eu(2+) affected their maximum wavelength (lambda(max)) and thermal stability because the substitution site of Eu(2+) could be varied. To obtain single-phase two-color-emitting phosphors, we incorporated Mn(2+) into CMP:Eu(2+) phosphors. Weak red emission resulting from the forbidden transition of Mn(2+) could be enhanced by the energy transfer from Eu(2+) to Mn(2+) that occurs because of the spectral overlap between the photoluminescence excitation (PLE) spectrum of Mn(2+) and the PL spectrum of Eu(2+). The energy transfer process was confirmed by the luminescence spectra, energy transfer efficiency, and decay curve of the phosphors. Finally, the optimized Ca(6-x-y)Mg(x-z)(PO(4))(4):Eu(y)(2+),Mn(z)(2+) (CMP:Eu(2+),Mn(2+)) phosphors were applied with green emitting Ca(2)MgSi(2)O(7):Eu(2+) (CMS:Eu(2+)) phosphors to ultraviolet (UV) light emitting diode (LED)-pumped white LEDs. The CMS:Eu(2+)-mixed CMP:Eu(2+), Mn(2+)-based white LEDs showed an excellent color rendering index (CRI) of 98 because of the broader emission band and more stable color coordinates than those of commercial Y(3)Al(5)O(12):Ce(3+) (YAG:Ce(3+))-based white LEDs under a forward bias current of 20 mA. The fabricated white LEDs showed very bright natural white light that had the color coordinate of (0.3288, 0.3401), and thus CMP:Eu(2+),Mn(2+) could be regarded as a good candidate for UV LED-based white LEDs.

Transition metal complexes of 2-amino-3,5-dihalopyridines: Syntheses, structures and magnetic properties of (3,5-diCAPH)2CuX4 and (3,5-diBAPH)2CuX4.

PubMed

Tremelling, Grant W; Foxman, Bruce M; Landee, Christopher P; Turnbull, Mark M; Willett, Roger D

2009-12-21

A family of bis(2-amino-3,5-dihalopyridinium)tetrahalocuprate(II) compounds has been synthesized, including (3,5-diCAPH)2CuCl4 (1), (3,5-diCAPH)2CuBr4 (2), (3,5-diBAPH)2CuCl4 (3), and (3,5-diBAPH)2CuBr4 (4) [3,5-diCAPH = 2-amino-3,5-dichloropyridinium; 3,5-diBAPH = 2-amino-3,5-dibromopyridinium]. These complexes have been analyzed through single crystal X-ray diffraction and temperature dependent magnetic susceptibility. Compound 1 crystallizes in the P-1 space group and the tetrachlorocuprate ion is best described as possessing a distorted square planar geometry. Compounds 2-4 are structurally similar and crystallized in the P2(1)/n, P2(1)/c, and P2(1)/n space groups respectively. The tetrahalocuprate ions are best described as distorted tetrahedra. All four compounds show antiferromagnetic interactions and were fit to the uniform chain Heisenberg model with resulting 2J/kB values of -11.71(2) K, -2.21(1) K, -12.43 (2) K, and -1.36(1) K, respectively. The exchange values correlate well with the two-halide exchange pathway parameters. The unusual observation that the chloride complexes show stronger magnetic exchange than the bromide complexes provides strong support that the exchange can be strongly dependent upon the Cu-X...X angles and Cu-X...X-Cu torsion angles.

Structure elucidation of 3-[1-(6-methoxy-2-naphtyl)ethyl]-6-(2,4-dichlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine, C 23H 18Cl 2N 4OS from synchrotron X-ray powder diffraction

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

Gündoğdu, Gülsüm; Aytaç, Sevim Peri; Müller, Melanie

The 3-[1-(6-methoxy-2-naphtyl)ethyl]-6-(2,4-dichlorophenyl)-7H-1,2,4-triazolo[3,4-b]-1,3,4-thiadiazine, C 23H 18Cl 2N 4OS compound was synthesized, as a member of the family of novel potential anticancer agents. The structure of the title compound was characterized by IR, 1H-NMR, mass spectroscopy, and elemental analysis, previously. In this study, the crystal structure of this compound has been determined from synchrotron X-ray powder diffraction data. The crystal structure was solved by simulated annealing and the final structure was achieved by Rietveld refinement method using soft restrains on all interatomic bond lengths and angles. This compound crystallizes in space groupP21,Z= 2, with the unit-cell parametersa= 15.55645(11) Å,b= 8.61693(6) Å,c= 8.56702(6)more » Å,β= 104.3270(4)°, andV= 1112.68(1) Å 3. In the crystal structure, strong C-H∙∙∙πand weak intermolecular hydrogen-bonding interactions link the molecules into a three-dimensional network. The molecules are in a head-to-head arrangement in the unit cell.« less

Profound Interfacial Effects in CoFe2O4/Fe3O4 and Fe3O4/CoFe2O4 Core/Shell Nanoparticles

NASA Astrophysics Data System (ADS)

Polishchuk, Dmytro; Nedelko, Natalia; Solopan, Sergii; Ślawska-Waniewska, Anna; Zamorskyi, Vladyslav; Tovstolytkin, Alexandr; Belous, Anatolii

2018-03-01

Two sets of core/shell magnetic nanoparticles, CoFe2O4/Fe3O4 and Fe3O4/CoFe2O4, with a fixed diameter of the core ( 4.1 and 6.3 nm for the former and latter sets, respectively) and thickness of shells up to 2.5 nm were synthesized from metal chlorides in a diethylene glycol solution. The nanoparticles were characterized by X-ray diffraction, transmission electron microscopy, and magnetic measurements. The analysis of the results of magnetic measurements shows that coating of magnetic nanoparticles with the shells results in two simultaneous effects: first, it modifies the parameters of the core-shell interface, and second, it makes the particles acquire combined features of the core and the shell. The first effect becomes especially prominent when the parameters of core and shell strongly differ from each other. The results obtained are useful for optimizing and tailoring the parameters of core/shell spinel ferrite magnetic nanoparticles for their use in various technological and biomedical applications.

Intricate Li-Sn Disorder in Rare-Earth Metal-Lithium Stannides. Crystal Chemistry of RE3Li4- xSn4+ x (RE = La-Nd, Sm; x < 0.3) and Eu7Li8- xSn10+ x ( x ≈ 2.0).

PubMed

Suen, Nian-Tzu; Guo, Sheng-Ping; Hoos, James; Bobev, Svilen

2018-05-07

Reported are the syntheses, crystal structures, and electronic structures of six rare-earth metal-lithium stannides with the general formulas RE 3 Li 4- x Sn 4+ x (RE = La-Nd, Sm) and Eu 7 Li 8- x Sn 10+ x . These new ternary compounds have been synthesized by high-temperature reactions of the corresponding elements. Their crystal structures have been established using single-crystal X-ray diffraction methods. The RE 3 Li 4- x Sn 4+ x phases crystallize in the orthorhombic body-centered space group Immm (No. 71) with the Zr 3 Cu 4 Si 4 structure type (Pearson code oI22), and the Eu 7 Li 8- x Sn 10+ x phase crystallizes in the orthorhombic base-centered space group Cmmm (No. 65) with the Ce 7 Li 8 Ge 10 structure type (Pearson code oC50). Both structures can be consdered as part of the [RESn 2 ] n [RELi 2 Sn] m homologous series, wherein the structures are intergrowths of imaginary RESn 2 (AlB 2 -like structure type) and RELi 2 Sn (MgAl 2 Cu-like structure type) fragments. Close examination the structures indicates complex occupational Li-Sn disorder, apparently governed by the drive of the structure to achieve an optimal number of valence electrons. This conclusion based on experimental results is supported by detailed electronic structure calculations, carried out using the tight-binding linear muffin-tin orbital method.

Cytoskeletal perturbation induced by herbicides, 2,4-dichlorophenoxyacetic acid (2,4-D) and 2,4,5-trichlorophenoxyacetic acid (2,4,5-T).

PubMed

Zhao, Y; Li, W; Chou, I N

1987-01-01

To understand the mechanisms of toxicity of 2,4-dichlorophenoxyacetic acid (2,4-D) and 2,4,5-trichlorophenoxyacetic acid (2,4,5-T), we have studied their effects on the cytoskeletal organization, particularly microtubules (MT) and microfilaments (MF), DNA synthesis, and the synthesis and composition of cytoskeletal proteins in mouse 3T3 cells. Exposure of cells to 2,4-D or 2,4,5-T resulted in a dose-dependent inhibition of DNA synthesis; 50% inhibition occurred at 2.21 mM and 0.90 mM for 2,4-D and 2,4,5-T, respectively. Furthermore, a strong synergistic inhibition of DNA synthesis was produced by mixtures (each having a total concentration of 1.25 mM) of 2,4-D with 2,4,5-T. Similarly, 2,4,5-T is more potent than 2,4-D in causing cytoskeletal perturbation as revealed by fluorescence microscopy. Treatment of cells with 2,4-D (2.5 mM) or 2,4,5-T (1.25 mM) for 20 h resulted in severe MT aggregation and the appearance of large bundles, which were organized in a rope-like structure in the former and a dramatic octopus-like pattern in the latter. Further, MT bundling is particularly severe in the cell center. Under these conditions, marked changes in MF organization also occurred as evidenced by clustering and crisscrossing of MF in the perinuclear region. A 1:1 mixture (final = 1.25 mM) of 2,4-D and 2,4,5-T, a formulation equivalent to Agent Orange composition, also induced a dramatic perturbation to the organization of MT and MF, resulting in the formation of ring-like structures. MT bundling is still apparent, especially around the outer edge of the "rings." MF are localized predominantly along the cell periphery, where they appear to be aggregated tightly forming patches. Surprisingly, the synthesis and composition of cytoskeletal proteins, which are resistant to detergent extraction but released by CaCl2, are essentially unaffected by 2,4-D or 2,4,5-T. These results suggest that the dramatic perturbation of the cytoskeletal morphology caused by these herbicides

Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C 6H 4SO 2NH 2 (X = Cl, Br or F)

NASA Astrophysics Data System (ADS)

Karabacak, Mehmet; Çınar, Mehmet; Çoruh, Ali; Kurt, Mustafa

2009-02-01

In the present study, the structural properties of para-halogen benzenesulfonamides, 4-XC 6H 4SO 2NH 2 (4-chlorobenzenesulfonamide (I), 4-bromobenzenesulfonamide (II) and 4-fluorobenzenesulfonamide (III)) have been studied extensively utilizing ab initio Hartree-Fock (HF) and density functional theory (DFT) employing B3LYP exchange correlation. The vibrational frequencies were calculated and scaled values were compared with experimental values. The complete assignments were performed on the basis of the total energy distribution (TED) of the vibrational modes, calculated with scaled quantum mechanics (SQM) method. The effects of the halogen substituent on the characteristic benzenesulfonamides bands in the spectra are discussed. The 1H and 13C nuclear magnetic resonance (NMR) chemical shifts of the molecules were calculated using the Gauge-Invariant Atomic Orbital (GIAO) method. Finally, geometric parameters, vibrational bands and chemical shifts were compared with available experimental data of the molecules. The fully optimized geometries of the molecules were found to be consistent with the X-ray crystal structures. The observed and calculated frequencies and chemical shifts were found to be in very good agreement.

Fabrication and electrochemical properties of activated CNF/Cu x Mn1- x Fe2O4 composite nanostructures

NASA Astrophysics Data System (ADS)

Nilmoung, Sukanya; Sonsupap, Somchai; Sawangphruk, Montree; Maensiri, Santi

2018-06-01

This work reports the fabrication and electrochemical properties of activated carbon nanofibers composited with copper manganese ferrite (ACNF/Cu x Mn1- x Fe2O4: x = 0.0, 0.2, 0.4, 0.6, 0.8) nanostructures. The obtained samples were characterized by means of X-ray diffraction, field emission scanning electron microscopy, Brunauer-Emmett-Teller analyzer, thermal gravimetric analysis, X-ray photoemission spectroscopy, and X-ray absorption spectroscopy. The supercapacitive behavior of the electrodes is tested using cyclic voltammetery, galvanostatic charge-discharge and electrochemical impedance spectroscopy. By varying ` x', the highest specific capacitance of 384 F/g at 2 mV/s using CV and 314 F/g at 2 A/g using GCD are obtained for the x = 0.2 electrode. The second one of 235 F/g at 2 mV/s using CV and 172 F/g at 2 A/g using GCD are observed for x = 0.8 electrode. The corresponding energy densities are 74 and 41 Wh/kg, respectively. It is observed that the cyclic stability of the prepared samples strongly depend on the amount of carbon, while the specific capacitance was enhanced by the sample with nearly proportional amount between carbon and CuMnFe2O4. Such results may arise from the synergetic effect between CuMnFe2O4 and ACNF.

Preparation & characterization of high purity Cu2 ZnSn(SxSe1-x)4 nanoparticles

NASA Astrophysics Data System (ADS)

Negash, Bethlehem G.

well order in which precursors are introduced into a reaction system. We report a new solution based sulfoselenide preparation route which has been used to synthesize high purity Cu2ZnSn(S xSe1-x)4 nanoparticles. Uniform phase Cu 2ZnSn(SxSe1-x)4 nanoparticles were successfully synthesized over a wide range of varying chalcogen ratios. It was found that anion precursor solution plays a key role in determining the morphology & phase purity of the final nanoparticles, as observed from X-ray Diffraction (XRD) and Raman spectroscopy. A uniform sulfoselenide solution is needed to produce high purity Cu2ZnSn(SxSe1-x )4 nanoparticles with narrow phase distribution. Moreover, the relative reactivity of each anion must be balanced in order to yield uniform phase nanoparticles. The findings of this study as well as the reported mixed chalcogen precursor preparation route can be applied in various industries, including photovoltaics to produce uniform phase, solution processed sulfoselenide nanoparticles.

Preparation, Structural and Dielectric Behaviors of CoxMn1-xMn2O4 (0 ≤ x ≤ 1) Nanoparticles

NASA Astrophysics Data System (ADS)

Taufiq, A.; Muzammil, M.; Fuad, A.; Hidayat, N.; Sunaryono, S.; Mufti, N.; Hidayat, A.; Diantoro, M.; Munasir, M.

2018-05-01

Cobalt-manganese oxide nanoparticles become remarkable metal oxides due to their physical characters, for example, their electrical properties. In this paper, we report the synthesis of Co x Mn1-x Mn2O4 (0 ≤ x ≤ 1) nanoparticles via a precipitation method. The structural and dielectric properties were investigated by means of X-ray diffractometer (XRD) and LCR-meter. From the data analysis, it was found that the Co x Mn1-x Mn2O4 particles structured spinel cubic with the particle size ranging from 22.7 to 28.6 nm. Increasing Co2+ ions led to declining lattice and crystal volume of the Co x Mn1-x Mn2O4 nanoparticles. Such phenomenon was originated from the substitution process of Co2+ ions that change the metal construction both at the octahedral and tetrahedral sites. Furthermore, the Co2+ ion substitution resulted in an increase in the dielectric properties of the Co x Mn1-x Mn2O4 nanoparticles regarding with dipole moment. Interestingly, the increase was also influenced by reducing the particle size and crystal volume of the Co x Mn1-x Mn2O4 nanoparticles.

Structural and magnetic properties of sol-gel Co2xNi0.5-x Zn0.5-xFe2O4 thin films

NASA Astrophysics Data System (ADS)

Rebrov, Evgeny V.; Gao, Pengzhao; Verhoeven, Tiny M. W. G. M.; Schouten, Jaap C.; Kleismit, Richard; Turgut, Zafer; Kozlowski, Gregory

2011-03-01

Nanocrystalline Co2xNi0.5-xZn0.5-xFe2O4 (x=0-0.5) thin films have been synthesized with various grain sizes by a sol-gel method on polycrystalline silicon substrates. The morphology as well as magnetic and microwave absorption properties of the films calcined at 1073 K were studied using X-ray diffraction, scanning electron microscopy, X-ray photoelectron spectroscopy, and vibrating sample magnetometry. All films were uniform without microcracks. The Co content in the Co-Ni-Zn films resulted in a grain size ranging from 15 to 32 nm while it ranged from 33 to 49 nm in the corresponding powders. Saturation and remnant magnetization increased with increase in grain size, while coercivity demonstrated a drop due to multidomain behavior of crystallites for a given value of x. Saturation magnetization increased and remnant magnetization had a maximum as a function of grain size independent of x. In turn, coercivity increased with x independent of grain size. Complex permittivity of the Co-Ni-Zn ferrite films was measured in the frequency range 2-15 GHz. The highest hysteretic heating rate in the temperature range 315-355 K was observed in CoFe2O4. The maximum absorption band shifted from 13 to 11 GHz as cobalt content increased from x=0.1 to 0.2.

Optical properties of La{sub 2}CuO{sub 4} and La{sub 2-x}Ca{sub x}CuO{sub 4} crystallites in UV-vis-NIR region synthesized by sol-gel process

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

Li Yifeng; Huang Jianfeng, E-mail: hjfnpu@163.com; Cao Liyun

2012-02-15

La{sub 2}CuO{sub 4} and La{sub 2-x}Ca{sub x}CuO{sub 4} crystallites were prepared via a simple sol-gel process. The as-prepared La{sub 2}CuO{sub 4} and La{sub 2} {sub -x}Ca{sub x}CuO{sub 4} crystallites were characterized by X-ray diffraction, transmission electron microscope and UV-vis-NIR spectra. Results show that the grain size of La{sub 2}CuO{sub 4} crystallites increases with the increase of heat treatment temperature from 600 Degree-Sign C to 800 Degree-Sign C. Optical properties show that La{sub 2}CuO{sub 4} crystallites have broad absorption both in the UV-vis region and in the NIR region. The band gap of the as-prepared crystallites decreases from 1.367 eV tomore » 1.284 eV with the increase of calcination temperature from 600 Degree-Sign C to 800 Degree-Sign C. In the series of La{sub 2-x}Ca{sub x}CuO{sub 4} compounds (x = 0.05, 0.08, 0.10, 0.12, 0.15 and 0.20), all of the samples exhibit an orthogonal crystal structure and the solubility limit of Ca{sup 2+} in La{sub 2}CuO{sub 4} is within the range of x = 0.12-0.15. In the whole UV-vis-NIR region, La{sub 2-x}Ca{sub x}CuO{sub 4} crystallites exhibit a broad absorption and the corresponding band gap first increases and then decreases with increasing of Ca{sup 2+} content. - Highlights: Black-Right-Pointing-Pointer The optical band gap can be tuned by adjusting the grain size and Ca{sup 2+} content. Black-Right-Pointing-Pointer La{sub 2}CuO{sub 4} crystallites exhibit a broad absorption band both in the UV-vis region and in the NIR region. Black-Right-Pointing-Pointer The band gap increases from 1.284 eV to 1.319 eV with the decrease of heat treatment temperature. Black-Right-Pointing-Pointer In the whole UV-vis-NIR region, the La{sub 2-x}Ca{sub x}CuO{sub 4} crystallites displayed a broad absorption. Black-Right-Pointing-Pointer The band gap of La{sub 2-x}Ca{sub x}CuO{sub 4} increases linearly with doping level when 0 {<=} x {<=} 0.12.« less

Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH 3NH 3) 2CdX 4 (X = Cl, Br, I)

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

Roccanova, Rachel; Ming, Wenmei; Whiteside, Vincent R.

Here, we report the synthesis, crystal and electronic structures, as well as optical properties of the hybrid organic–inorganic compounds MA 2CdX 4 (MA = CH 3NH 3; X = Cl, Br, I). MA 2CdI 4 is a new compound, whereas, for MA 2CdCl 4 and MA 2CdBr 4, structural investigations have already been conducted but electronic structures and optical properties are reported here for the first time. Single crystals were grown through slow evaporation of MA 2CdX 4 solutions with optimized conditions yielding mm-sized colorless (X = Cl, Br) and pale yellow (X = I) crystals. Single crystal and variablemore » temperature powder X-ray diffraction measurements suggest that MA 2CdCl 4 forms a 2D layered perovskite structure and has two structural transitions at 283 and 173 K. In contrast, MA 2CdBr 4 and MA 2CdI 4 adopt 0D K 2SO 4-derived crystal structures based on isolated CdX 4 tetrahedra and show no phase transitions down to 20 K. The contrasting crystal structures and chemical compositions in the MA 2CdX 4 family impact their air stabilities, investigated for the first time in this work; MA 2CdCl 4 is air-stable, whereas MA 2CdBr 4 and MA 2CdI 4 partially decompose when left in air. Optical absorption measurements suggest that MA 2CdX 4 have large optical band gaps above 3.9 eV. Room temperature photoluminescence spectra of MA 2CdX 4 yield broad peaks in the 375–955 nm range with full width at half-maximum values up to 208 nm. These PL peaks are tentatively assigned to self-trapped excitons in MA 2CdX 4 following the crystal and electronic structure considerations. The bands around the Fermi level have small dispersions, which is indicative of high charge localization with significant exciton binding energies in MA 2CdX 4. On the basis of our combined experimental and computational results, MA 2CdX 4 and related compounds may be of interest for white-light-emitting phosphors and scintillator applications.« less

Synthesis, Crystal and Electronic Structures, and Optical Properties of (CH 3NH 3) 2CdX 4 (X = Cl, Br, I)

DOE PAGES

Roccanova, Rachel; Ming, Wenmei; Whiteside, Vincent R.; ...

2017-11-02

Here, we report the synthesis, crystal and electronic structures, as well as optical properties of the hybrid organic–inorganic compounds MA 2CdX 4 (MA = CH 3NH 3; X = Cl, Br, I). MA 2CdI 4 is a new compound, whereas, for MA 2CdCl 4 and MA 2CdBr 4, structural investigations have already been conducted but electronic structures and optical properties are reported here for the first time. Single crystals were grown through slow evaporation of MA 2CdX 4 solutions with optimized conditions yielding mm-sized colorless (X = Cl, Br) and pale yellow (X = I) crystals. Single crystal and variablemore » temperature powder X-ray diffraction measurements suggest that MA 2CdCl 4 forms a 2D layered perovskite structure and has two structural transitions at 283 and 173 K. In contrast, MA 2CdBr 4 and MA 2CdI 4 adopt 0D K 2SO 4-derived crystal structures based on isolated CdX 4 tetrahedra and show no phase transitions down to 20 K. The contrasting crystal structures and chemical compositions in the MA 2CdX 4 family impact their air stabilities, investigated for the first time in this work; MA 2CdCl 4 is air-stable, whereas MA 2CdBr 4 and MA 2CdI 4 partially decompose when left in air. Optical absorption measurements suggest that MA 2CdX 4 have large optical band gaps above 3.9 eV. Room temperature photoluminescence spectra of MA 2CdX 4 yield broad peaks in the 375–955 nm range with full width at half-maximum values up to 208 nm. These PL peaks are tentatively assigned to self-trapped excitons in MA 2CdX 4 following the crystal and electronic structure considerations. The bands around the Fermi level have small dispersions, which is indicative of high charge localization with significant exciton binding energies in MA 2CdX 4. On the basis of our combined experimental and computational results, MA 2CdX 4 and related compounds may be of interest for white-light-emitting phosphors and scintillator applications.« less

Optical properties of nanocrystalline potassium lithium niobate in the glass system (100-x) TeO2-x(1.5K2O-Li2O-2.5Nb2O5).

PubMed

Ahamad, M Niyaz; Varma, K B R

2009-08-01

Optically clear glasses of various compositions in the system (100-x) TeO2-x(1.5K2O-Li2O-2.5Nb2O5) (2 < or = x < or = 12, in molar ratio) were prepared by the melt-quenching technique. The glassy nature of the as-quenched samples was established via differential scanning calorimetry (DSC). The amorphous and the crystalline nature of the as-quenched and heat-treated samples were confirmed by the X-ray powder diffraction and transmission electron microscopic (TEM) studies. Transparent glasses comprising potassium lithium niobate (K3Li2Nb5O15) microcrystallites on the surface and nanocrystallites within the glass were obtained by controlled heat-treatment of the as-quenched glasses just above the glass transition temperature (T(g)). The optical transmission spectra of these glasses and glass-crystal composites of various compositions were recorded in the 200-2500 nm wavelength range. Various optical parameters such as optical band gap, Urbach energy, refractive index were determined. Second order optical non-linearity was established in the heat-treated samples by employing the Maker-Fringe method.

Structural and electrical properties of LiCo3/5Cu2/5VO4 ceramics

NASA Astrophysics Data System (ADS)

Ram, Moti

2010-05-01

The LiCo3/5Cu2/5VO4 compound is prepared by a solution-based chemical method and characterized by the techniques of X-ray diffraction, scanning electron microscopy and complex impedance spectroscopy. The X-ray diffraction study shows an orthorhombic unit cell structure of the material with lattice parameters a=13.8263 (30) Å, b=8.7051 (30) Å and c=3.1127 (30) Å. The nature of scanning electron micrographs of a sintered pellet of the material reveals that grains of unequal sizes (˜0.2-3 μm) present an average grain size with a polydisperse distribution on the surface of the sample. Complex plane diagrams indicate grain interior and grain boundary contributions to the electrical response in the material. The electrical conductivity study reveals that electrical conduction in the material is a thermally activated process. The frequency dependence of the a.c. conductivity obeys Jonscher’s universal law.

Synthesis and crystal structures of new oxyapatites BiCa{sub 4-x}La{sub x}(VO{sub 4}){sub 3-x}(GeO{sub 4}){sub x}O, x=1-3

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

Zhuravlev, V.D., E-mail: zhvd@ihim.uran.ru; Tyutyunnik, A.P.; Zubkov, V.G.

2012-10-15

New germanate-vanadates with the general formula BiCa{sub 4-x}La{sub x}(VO{sub 4}){sub 3-x}(GeO{sub 4}){sub x}O, x=1-3, have been synthesized by the nitrate-citrate method and characterized. Structural refinement based on X-ray powder diffraction data showed that these compounds are isostructural with BiCa{sub 4}(VO{sub 4}){sub 3}O (space group P6{sub 3}/m (N 176), Z=2, a=9.8327-9.8755(3), and c=7.1203-7.2133(2) ). They may be viewed as continuous series of solid solutions where Ca{sup 2+} and V{sup 5+} cations in the crystal lattice of vanadate BiCa{sub 4}(VO{sub 4}){sub 3}O are replaced by La{sup 3+} and Ge{sup 4+} cations. In the process of substitution, the La{sup 3+} cations occupy mainlymore » the 4f lattice sites of the germanate-vanadate oxyapatites, but the filling of the 4f and 6h lattice sites in the germanate BiCaLa{sub 3}(GeO{sub 4}){sub 3} is equivalent. IR and Raman spectra were studied. The Raman spectra clearly show a two-mode behavior: the lines of GeO{sub 4} and VO{sub 4} are separated from each other, and the (V/Ge)O{sub 4} tetrahedra exhibit a quasi-independent behavior. - Graphical abstract: Schematic drawing of the BiCa{sub 3}La(VO{sub 4}){sub 2}(GeO{sub 4})O structure in projection on the ac plane. Green-V and Ge, red-Ca(1) and La(1), yellow-Ca(2), La(2) and Bi, dark-blue-O(1)-O(4), blue-O(5). Highlights: Black-Right-Pointing-Pointer The citrate synthesis of germanate-vanadate oxyapatites. Black-Right-Pointing-Pointer The synthesized compounds crystallize in the hexagonal symmetry. Black-Right-Pointing-Pointer A single series of solid solutions BiCa{sub 4-x}La{sub x}(VO{sub 4}){sub 3-x}(GeO{sub 4}){sub x}O, (x=0-3). Black-Right-Pointing-Pointer IR an Raman spectra of mixed crystals.« less

ESR spectra of NSO/sub 4//sup 2 -/ in (NH/sub 4/)/sub 2/SO/sub 4/

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

Bailey, C.E.

1981-03-01

The slow decay of NH/sub 3//sup +/ and NH/sub 2//sup +/ centers in ammonium sulfate produce a new, very stable, paramagnetic center that has been identified as NSO/sub 4//sup 2 -/. This center has g values of g/sub x/ = 2.012, g/sub y/ = 2.011, and g/sub z/ = 2.007 with the corresponding hfi constants A/sub x/ = A/sub y/ = 0.0 and A/sub z/ = 25.2 G. No change in this center is observed on passage of the crystal through the ferroelectric phase transition.

Comparison of structural and magnetic properties of Zn{sub x}Mg{sub 1.5-x}Mn{sub 0.5}FeO{sub 4} and MgAl{sub x}Cr{sub x}Fe{sub 2-2x}O{sub 4} spinel oxides

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

Thummer, K. P., E-mail: kpthummer@yahoo.co.in; Tanna, A. R., E-mail: ashish.tanna@rku.ac.in; Joshi, H. H.

2016-05-23

The spinel oxides Zn{sub x}Mg{sub 1.5-x}Mn{sub 0.5}FeO{sub 4} (x = 0.0 to 0.6) and MgAl{sub x}Cr{sub x}Fe{sub 2-2x}O{sub 4} (x = 0.0 to 0.6) abbreviated as ZMMFO and MACFO respectively, were synthesized by standard ceramic processing. The compositional purity of all the specimens was checked by EDAX technique. The X-ray diffractometry was employed to determine the lattice constants and distribution of cations in the interstitial voids. The initial decrease of cell edge parameter (a) for ZMMFO up to x = 0.2 and thereafter expected rise in the ‘a’ and the initial slower rate of reduction in the lattice constant formore » MACFO are explained as basic of cation occupancy. The magnetic ordering in both systems is explained by invoking statistical canting models. The compositional variation of magneton number (n{sub B}) for ZMMFO could be very well explained by Localized canting of spin (LCS) model while Random canting of spin (RCS) model was used for MACFO system.« less

Neutron investigation of Nd 2- x- yCe xLa yCuO 4 (0 ⩽ x ⩽ 0.2; y = 0.5, 1)

NASA Astrophysics Data System (ADS)

Gutmann, M.; Allenspach, P.; Fauth, F.; Furrer, A.; Zolliker, M.; Rosenkranz, S.; Eccleston, R. S.

1997-02-01

We present neutron diffraction and crystal field (CF) spectroscopy results obtained for the electron-doped superconductor precursor material Nd 2- x- yCe xLa yCuO 4 (0 ⩽ x ⩽ 0.2; y = 0.5, 1). Samples were prepared via a sol-gel methods. The lattice constants as a function of Ce-doping show the well-known behavior common to this class of compounds, i.e. the a parameter increases while the c parameter decreases with increasing Ce amount. The presence of La expands the unit cell in all directions compared to the mother compound Nd 2CuO 4 while preserving the T‧-structure for the above mentioned range. The CF spectra clearly show the presence of electronic inhomogeneities associated with electron doping from Ce 4+ on one Cu-site in the CuO 2-planes.

Synthesis and stability of hetaerolite, ZnMn2O4, at 25°C

USGS Publications Warehouse

Hem, J.D.; Roberson, C.E.; Lind, C.J.

1987-01-01

A precipitate of nearly pure hetaerolite, ZnMn2O4, a spinel-structured analog of hausmannite, Mn3O4, was prepared by an irreversible wprecipitation of zinc with manganese at 25°C. The synthesis technique entailed constant slow addition of a dilute solution of Mn2+ and Zn2+ chlorides having a Mn/Zn ratio of 2:1 to a reaction vessel that initially contained distilled deionized water, maintained at a pH of 8.50 by addition of dilute NaOH by an automated pH stat, with continuous bubbling of CO2-free air. The solid was identified by means of X-ray diffraction and transmission electron microscopy and consisted of bipyramidal crystals generally less than 0.10 μm in diameter. Zn2+ ions are able to substitute extensively for Mn2+ ions that occupy tetrahedral sites in the hausmannite structure.Hetaerolite appears to be more stable than hausmannite with respect to spontaneous conversion to γMnOOH. The value of the standard free energy of formation of hetaerolite was estimated from the experimental data to be −289.4 ± 0.8 kcal per mole. Solids intermediate in composition between hetaerolite and hausmannite can be prepared by altering the Mn/Zn ratio in the feed solution.

Mechanism of single metal exchange in the reactions of [M4(SPh)10]2- (M = Zn or Fe) with CoX2 (X = Cl or NO3) or FeCl2.

PubMed

Autissier, Valerie; Henderson, Richard A

2008-07-21

The kinetics of the reactions between [Zn4(SPh)10](2-) and an excess of MX2 (M = Co, X = NO3 or Cl; M = Fe, X = Cl), in which a Zn(II) is replaced by M(II), have been studied in MeCN at 25.0 degrees C. (1)H NMR spectroscopy shows that the ultimate product of the reactions is an equilibrium mixture of clusters of composition [Zn(n)M(4-n)(SPh)10](2-), and this is reflected in the multiphasic absorbance-time curves observed over protracted times (several minutes) using stopped-flow spectrophotometry to study the reactions. The kinetics of only the first phase have been determined, corresponding to the equilibrium formation of [Zn3M(SPh)10](2-). The effects of varying the concentrations of cluster, MX2, and ZnCl2 on the kinetics have been investigated. The rate law is consistent with the equilibrium nature of the metal exchange process and indicates a mechanism for the formation of [Zn3M(SPh)10](2-) involving two coupled equilibria. In the initial step binding of MX2 to a bridging thiolate in [Zn4(SPh)10](2-) results in breaking of a Zn-bridging thiolate bond. In the second step replacement of the cluster Zn involves transfer of the bridging thiolates from the Zn to M, with breaking of a Zn-bridged thiolate bond being rate-limiting. The kinetics for the reaction of ZnCl2 with [Zn3M(SPh)10](2-) (M = Fe or Co)} depends on the identity of M. This behavior indicates attack of ZnCl2 at a M-mu-SPh-Zn bridged thiolate. Similar studies on the analogous reactions between [Fe4(SPh)10](2-) and an excess of CoX2 (X = NO3 or Cl) in MeCN exhibit simpler kinetics but these are also consistent with the same mechanism.

Microstructure, AC impedance and DC electrical conductivity characteristics of NiFe2-xGdxO4 (x = 0, 0.05 and 0.075)

NASA Astrophysics Data System (ADS)

Kamala Bharathi, K.; Markandeyulu, G.; Ramana, C. V.

2012-03-01

The structure and electrical characteristics of Gd doped Ni ferrite materials, namely NiFe1.95Gd0.05O4 and NiFe1.925Gd0.075O4, are reported to demonstrate their improved electrical properties compared to that of pure NiFe2O4. NiFe1.95Gd0.05O4 and NiFe1.925Gd0.075O4 compounds crystallize in the cubic inverse spinel phase with a very small amount of GdFeO3 additional phase while pure NiFe2O4 crystallize in inverse spinel phase without any impurity phase. The back scattered electron imaging analysis indicate the primary and secondary formation in NiFe1.95Gd0.05O4 and NiFe1.925Gd0.075O4 compounds. Atomic force microscopy measurements indicate that the bulk grains are ˜2-5 micron size while the grain boundaries are thin compared to bulk grains. Impedance spectroscopic analysis at different temperature indicates the different relaxation mechanisms and their variation with temperature, bulk grain and grain-boundary contributions to the electrical conductivity (Rg) and capacitance (Cg) of these materials. The conductivity in pure NiFeO4 is found to be predominantly due to intrinsic bulk contribution (Rg=213 kΩ and Cg=4.5 x 10-8 F). In the case of NiFe1.95Gd0.05O4 and NiFe1.925Gd0.075O4 compounds, grain and grain-boundary contributions to the conductivity are clearly observed. The DC conductivity values (at 300 K) of NiFe2O4, NiFe1.95Gd0.05O4 and NiFe1.925Gd0.075O4 compounds are found to be 1.06 x 10-7 Ω-1 cm-1, 5.73 x 10-8 Ω-1 cm-1 and 1.28 x 10-8 Ω-1 cm-1 respectively.

2.5 MeV CW 4-vane RFQ accelerator design for BNCT applications

NASA Astrophysics Data System (ADS)

Zhu, Xiaowen; Wang, Hu; Lu, Yuanrong; Wang, Zhi; Zhu, Kun; Zou, Yubin; Guo, Zhiyu

2018-03-01

Boron Neutron Capture Therapy (BNCT) promises a bright future in cancer therapy for its highly selective destruction of cancer cells, using the 10B +n→7Li +4 He reaction. It offers a more satisfactory therapeutic effect than traditional methods for the treatment of malignant brain tumors, head and neck cancer, melanoma, liver cancer and so on. A CW 4-vane RFQ, operating at 162.5 MHz, provides acceleration of a 20 mA proton beam to 2.5 MeV, bombarding a liquid lithium target for neutron production with a soft neutron energy spectrum. The fast neutron yield is about 1.73×1013 n/s. We preliminarily develop and optimize a beam shaping assembly design for the 7Li(p, n)7Be reaction with a 2.5 MeV proton beam. The epithermal neutron flux simulated at the beam port will reach up to 1 . 575 ×109 n/s/cm2. The beam dynamics design, simulation and benchmark for 2.5 MeV BNCT RFQ have been performed with both ParmteqM (V3.05) and Toutatis, with a transmission efficiency higher than 99.6% at 20 mA. To ease the thermal management in the CW RFQ operation, we adopt a modest inter-vane voltage design (U = 65 kV), though this does increase the accelerator length (reaching 5.2 m). Using the well-developed 3D electromagnetic codes, CST MWS and ANSYS HFSS, we are able to deal with the complexity of the BNCT RFQ, taking the contribution of each component in the RF volume into consideration. This allows us to optimize the longitudinal field distribution in a full-length model. Also, the parametric modeling technique is of great benefit to extensive modifications and simulations. In addition, the resonant frequency tuning of this RFQ is studied, giving the tuning sensitivities of vane channel and wall channel as -16.3 kHz/°C and 12.4 kHz/°C, respectively. Finally, both the multipacting level of this RFQ and multipacting suppressing in the coaxial coupler are investigated.

Designing new lithium-excess cathode materials from percolation theory: nanohighways in Li(x)Ni(2-4x/3)Sb(x/3)O2.

PubMed

Twu, Nancy; Li, Xin; Urban, Alexander; Balasubramanian, Mahalingam; Lee, Jinhyuk; Liu, Lei; Ceder, Gerbrand

2015-01-14

Increasing lithium content is shown to be a successful strategy for designing new cathode materials. In layered Li(x)Ni(2-4x/3)Sb(x/3)O2 (x = 1.00-1.15), lithium excess improves both discharge capacity and capacity retention at 1C. Structural studies reveal a complex nanostructure pattern of Li-Sb and Ni-Sb ordering where the interface between these domains forms the correct local configuration for good lithium mobility. The <1 nm Li-Sb stripe domains and their interfaces thereby effectively act as nanohighways for lithium diffusion.

Construction of a YAC contig and STS map spanning 2.5 Mbp in Xq25, the critical region for the X-linked lymphoproliferative (XLP) gene

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

Lanyi, A.; Li, B.F.; Li, S.

1994-09-01

X-linked lymphoproliferative disease (XLP) is characterized by a marked vulnerability in Epstein-Barr virus (EBV) infection. Infection of XLP patients with EBV invariably results in fatal mononucleosis, agammaglobulinemia or B-cell lymphoma. The XLP gene lies within a 10 cM region in Xq25 between DXS42 and DXS10. Initial chromosome studies revealed an interstitial, cytogenetically visible deletion in Xq25 in one XLP family (43-004). We estimated the size of the Xq25 deletion by dual laser flow karyotyping to involve 2% of the X chromosome, or approximately 3 Mbp of DNA sequences. To further delineate the deletion we performed a series of pulsed fieldmore » gel electrophoresis (PFGE) analyses which showed that DXS6 and DXS100, two Xq25-specific markers, are missing from 45-004 DNA. Five yeast artificial chromosomes (YACs) from a chromosome X specific YAC library containing sequences deleted in patient`s 43-004 DNA were isolated. These five YACs did not overlap, and their end fragments were used to screen the CEPH MegaYAC library. Seven YACs were isolated from the CEPH MegaYAC library. They could be arranged into a contig which spans between DXS6 and DXS100. The contig contains a minimum of 2.5 Mbp of human DNA. A total of 12 YAC end clone, lambda subclones and STS probes have been used to order clones within the contig. These reagents were also used in Southern blot and patients showed interstitial deletions in Xq25. The size of these deletions range between 0.5 and 2.5 Mbp. The shortest deletion probably represents the critical region for the XLP gene.« less

Crystal structures of the new ternary stannides La{sub 3}Mg{sub 4−x}Sn{sub 2+x} and LaMg{sub 3−x}Sn{sub 2}

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

Solokha, P., E-mail: pavlo.solokha@unige.it; De Negri, S.; Minetti, R.

2016-01-15

Synthesis and structural characterization of the two new lanthanum–magnesium–stannides La{sub 3}Mg{sub 4−x}Sn{sub 2+x} (0.12≤x≤0.40) and LaMg{sub 3−x}Sn{sub 2} (0.33≤x≤0.78) are reported. The crystal structures of these intermetallics were determined by single crystal X-ray diffraction analysis and confirmed by Rietveld refinement of powder X-ray diffraction patterns of the corresponding samples. The La{sub 3}Mg{sub 4−x}Sn{sub 2+x} phase crystallizes in the hexagonal Zr{sub 3}Cu{sub 4}Si{sub 2} structure type (P6¯2m, hP9, Z=3, x=0.12(1), a=7.7974(7), c=4.8384(4) Å), which represents an ordered derivative of the hP9-ZrNiAl prototype, ubiquitous among equiatomic intermetallics. The LaMg{sub 3–x}Sn{sub 2} phase is the second representative of the trigonal LaMg{sub 3−x}Ge{sub 2}more » type, which is a superstructure of the LaLi{sub 3}Sb{sub 2} structure type (P3¯1c, hP34-0.12, Z=6, x=0.35(1), a=8.3222(9), c=14.9546(16) Å). The scheme describing the symmetry reduction/coloring with respect to the parent type is reported here with the purpose to discuss the LaMg{sub 3−x}Sn{sub 2} off-stoichiometry from the geometrical point of view. Structural relationships between the La–Mg–Sn ternary phases, including the already known equiatomic LaMgSn compound (oP12-TiNiSi), are presented in the framework of the AlB{sub 2}-related compounds family and discussed with the aid of group-subgroup relations in the Bärnighausen formalism. - Graphical abstract: Crystal structure of LaMg{sub 3−x}Sn{sub 2} viewed along the (001) direction together with the puckered layer of Mg and Sn atoms hosting Mg2, Mg3 and vacancy □. - Highlights: • Crystal structures of the new La{sub 3}Mg{sub 4−x}Sn{sub 2+x} and LaMg{sub 3−x}Sn{sub 2} phases were determined. • The off-stoichiometry of LaMg{sub 3−x}Sn{sub 2} was discussed from geometrical point of view. • Structural relations between the known La–Mg–Sn phases were established. • The studied

1,4-Naphthoquinones potently inhibiting P2X7 receptor activity.

PubMed

Faria, R X; Oliveira, F H; Salles, J P; Oliveira, A S; von Ranke, N L; Bello, M L; Rodrigues, C R; Castro, H C; Louvis, A R; Martins, D L; Ferreira, V F

2018-01-01

P2X7 receptor (P2X7R) is an ATP-gated ion-channel with potential therapeutic applications. In this study, we prepared and searched a series of 1,4-naphthoquinones derivatives to evaluate their antagonistic effect on both human and murine P2X7 receptors. We explored the structure-activity relationship and binding mode of the most active compounds using a molecular modeling approach. Biological analysis of this series (eight analogues and two compounds) revealed significant in vitro inhibition against both human and murine P2X7R. Further characterization revealed that AN-03 and AN-04 had greater potency than BBG and A740003 in inhibiting dye uptake, IL-1β release, and carrageenan-induced paw edema in vivo. Moreover, we used electrophysiology and molecular docking analysis for characterizing AN-03 and AN-04 action mechanism. These results suggest 1,4-napthoquinones, mainly AN-04, as potential leads to design new P2X7R blockers and anti-inflammatory drugs. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

2,3-Dihydro-2,5-dihydroxy-4H-benzopyran-4-one: a nonphysiological substrate for fungal melanin biosynthetic enzymes.

PubMed

Thompson, J E; Basarab, G S; Pierce, J; Hodge, C N; Jordan, D B

1998-02-01

We have synthesized an alternate substrate for trihydroxynaphthalene reductase (3HNR) and scytalone dehydratase (SD), two enzymes in the fungal melanin biosynthetic pathway. The oxidation of 2,3-dihydro-2,5-dihydroxy-4H-benzopyran-4-one (DDBO) to 4,5-dihydroxy-2H-benzopyran-2-one (DBO) with concomitant reduction of NADP+ is catalyzed by 3HNR. DDBO is dehydrated by SD to 5-hydroxy-4H-1-benzopyran-4-one (HBO). These reactions can be monitored using continuous spectrophotometric assays. DDBO race-mizes rapidly, so chiral synthesis to mimic the natural substrate is not required. DDBO, DBO, and HBO are stable in aerated aqueous solution, in contrast to the rapidly autooxidizing trihydroxynaphthalene, a physiological substrate for 3HNR and product of SD. Unlike the natural substrates, DDBO, DBO, and HBO do not change protonation state between pH's 4 and 9. Oxidation of DDBO is effectively irreversible at pH 7, as DBO deprotonates with a pKa of 2.5. At pH 7.0 and 25 degrees C, the kcat for 3HNR catalyzed DDBO oxidation is 14 s-1 and the K(m) is 5 microM; the kcat for SD catalyzed DDBO dehydration is 400 s-1 and the K(m) is 15 microM. Based on these kinetic constants, DDBO is a better substrate than the natural substrate scytalone for both 3HNR and SD at neutral pH. An explanation for the preference of DDBO over scytalone in the oxidation and dehydration reactions is offered.

First-principles study of Sr2Ir1-xRhxO4: charge transfer, spin-orbit coupling change, and the metal-insulator transition

NASA Astrophysics Data System (ADS)

Sim, Jae-Hoon; Kim, Heung-Sik; Han, Myung Joon

2015-03-01

Using first-principles density functional theory (DFT) calculations, we investigated the electronic structure of Rh-doped iridate, Sr2Ir1-xRhxO4 for which the doping (x) dependent metal-insulator transition (MIT) has been reported experimentally and the controversial discussion developed regarding the origin of this transition. Our DFT+U calculation shows that the value of < L . S > remains largely intact over the entire doping range considered here (x = 0 . 0 , 0 . 125 , 0 . 25 , 0 . 50 , 0 . 75 , and 1 . 0) in good agreement with the branching ratio measured by x-ray absorption spectroscopy. Also contrary to a previous picture to explain MIT based on the charge transfer between the transition-metal sites, our calculation clearly shows that those sites remain basically isoelectronic while the impurity bands of predominantly rhodium character are introduced near the Fermi level. As the doping increases, this impurity band overlaps with lower Hubbard band of iridium, leading to metal-insulator transition. The results will be discussed with comparison to the case of Ru doping. Computational resources were suported by The National Institute of Supercomputing and Networking/Korea Institute of Science and Technology Information with supercomputing resources including technical spport (Grant No. KSC-2013-C2-23).

Positron annihilation study of Sr Doping in La(2-x)Sr(x)CuO4

NASA Astrophysics Data System (ADS)

Sterne, P. A.; Howell, R. H.; Fluss, M. J.; Kaiser, J. H.

1993-04-01

A combined experimental and threshold study of effects of Sr doping on electronic structure of La(2-x)Sr(x)CuO(4) was presented. Electron-positron momentum distributions were measured to high statistical precision (greater than 4 x 10(exp 8) counts) at room temperature for samples with Sr concentrations of x = 0.0, 0.1, 0.13, and 0.2. Analysis of all four spectra reveal strong features due to electron-positron wavefunction overlap, in quantitative agreement with theoretical calculations. The Sr doped samples show discontinuities consistent with presence of a Fermi surface. The form and position of these features are in general agreement with the predictions of band theory. Correspondence between theory and experiment, as well as some differences, are revealed by a detailed study of the changes in electron-position momentum density with increasing Sr doping.

X-ray crystallographic and tungsten-183 nuclear magnetic resonance structural studies of the [M4(H2O)2(XW9O34) 2]10- heteropolyanions (M = COII or Zn, X = P or As)

USGS Publications Warehouse

Evans, H.T.; Tourne, C.M.; Tourne, G.F.; Weakley, T.J.R.

1986-01-01

The crystal structures of K10[Co4(H2O)2(PW9O 34)2]??22H2O (1) and isomorphous K10[Zn4(H2O)2(AsW9O 34)2]??23H2O (2) have been determined {Mo-K?? radiation, space group P21/n, Z = 2; (1) a = 15.794(2), b = 21.360(2), c = 12.312(1) A??, ?? = 91.96??, R = 0.084 for 3 242 observed reflections [I ??? 3??(I)]; (2) a = 15.842(4), b = 21.327(5), c = 12.308(4) A??, ?? = 92.42(4)??, R = 0.066 for 4 675 observed reflections [F ??? 3??(F)]}. The anions have crystallographic symmetry 1 and non-crystallographic symmetry very close to 2/m (C2h). Each consists of two [XW9O34]9- moieties [??-B isomers; X = P (1) or As (2)] linked via four CoIIO6 or ZnO6 groups. Two Co or Zn atoms each carry a water ligand. The 183W n.m.r. spectra of the anions [Zn4(H2O)2(XW9O34) 2]10- (X = P or As) confirm that the anions retain 2/m symmetry in aqueous solution. Homonuclear coupling constants between 183W atoms are 5.8-9.0 Hz for adjacent WO6 octahedra sharing edges, and 19.6-25.0 Hz for octahedra sharing corners.

Structure and conductivity of epitaxial thin films of barium ferrite and its hydrated form BaFeO2.5-x+δ (OH)2x

NASA Astrophysics Data System (ADS)

Anitha Sukkurji, Parvathy; Molinari, Alan; Benes, Alexander; Loho, Christoph; Sai Kiran Chakravadhanula, Venkata; Garlapati, Suresh Kumar; Kruk, Robert; Clemens, Oliver

2017-03-01

Barium ferrite and its hydrated form (BaFeO2.5-x+δ (OH)2x , BFO) is an interesting cathode material for protonic ceramic fuel cells (PCFC) due to its potential to be both, conducting for electrons and protons. We report on the fabrication of almost epitaxially grown thin films (22 nm) of barium ferrite BaFeO~2.5 (BFO) on Nb-doped SrTiO3 substrates via pulsed laser deposition (PLD), followed by treatment under inert, and subsequently wet inert atmospheres to induce water (respectively proton) incorporation. Microstructure, chemical composition and conducting properties are investigated for the BFO films and their hydrated forms, highlighting the influence of hydration on the conductivity characteristics between ~200-290 K. We find that water incorporation gives a strong enhancement of the conductivity to ~10-9 S cm-1 compared to argon annealed films, inducing electronic and protonic charge carriers at the same time. In comparison to bulk powders, proton conductivity is found to be strongly suppressed in such thin hydrated BFO films, pointing towards the influence of strain on the conductivity, which is evaluated based on a detailed investigation by high-resolution transmission electron microscopy.

Meta-stable magnetic transitions and its field dependence in Co2.75Fe0.25O4 ferrite

NASA Astrophysics Data System (ADS)

Aswathi M., C.; Bhowmik, R. N.

2018-04-01

The Co2.75Fe0.25O4 ferrite has been prepared by chemical co-precipitation route. The as-prepared sample has been annealed at 500° C. X-ray diffraction pattern indicated cubic spinel structure in the sample. The sample showed ferrimagnetic nature with magnetic irreversibility and hysteresis loop. Magnetization data revealed high anisotropic nature and at least two prominent meta-stable magnetic transitions below the highest measurement temperature 350 K.

Magnetic behaviors in melt spun Fe{sub 52−x}Mn{sub 23+x}Ga{sub 25} (x = 0–3) ribbons

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

Shih, C. W.; Lee, Y. I.; Chang, W. C., E-mail: phywcc@ccu.edu.tw

2014-05-07

The effect of volume fraction of B2-type ferromagnetic (FM) phase on magnetic behavior of melt-spun Fe{sub 52−x}Mn{sub 23+x}Ga{sub 25} (x = 0, 1, 2, and 3) ribbons has been investigated. X-ray diffraction (XRD) results show that the volume fraction of the B2 phase is decreased, accompanied by the increased antiferromagnetic (AFM) fcc phase, with increasing x. The magnetization isotherms of these ribbons at different temperatures demonstrate that there exists a critical field H{sub CR} from AFM to FM state, and the H{sub CR} decreases and vanishes finally with increasing temperature. High exchange bias field (H{sub EB}) at 10 K through a cooling fieldmore » at H{sub CR} from 300 K could be found and correlated to the volume fraction of B2-type FM phase. Both H{sub CR} and H{sub EB} are increased with decreasing the amount of B2-type FM phase. The H{sub CR} is increased from 20 kOe for x = 0 to 50 kOe for x = 3, and H{sub EB} is increased from 0.9 kOe for x = 0 to 2.5 kOe for x = 2. The latter phenomenon might be attributed to the change of exchange interactions at FM/AFM interfaces due to the change of proportion of FM and AFM phase at low temperature.« less

Evolution of competing magnetic order in the J eff=1/2 insulating state of Sr 2Ir 1-xRu xO 4

DOE PAGES

Calder, Stuart A.; Kim, Jong-Woo; Cao, Guixin; ...

2015-10-27

We investigate the magnetic properties of the series Sr 2Ir 1-xRu xO 4 with neutron, resonant x-ray and magnetization measurements. The results indicate an evolution and coexistence of magnetic structures via a spin flop transition from ab-plane to c-axis collinear order as the 5d Ir4 + ions are replaced with an increasing concentration of 4d Ru4 + ions. The magnetic structures within the ordered regime of the phase diagram (x<0.3) are reported. Despite the changes in magnetic structure no alteration of the J eff=1/2 ground state is observed. This behavior of Sr 2Ir 1-xRu xO 4 is consistent with electronicmore » phase separation and diverges from a standard scenario of hole doping. The role of lattice alterations with doping on the magnetic and insulating behavior is considered. Our results presented here provide insight into the magnetic insulating states in strong spin-orbit coupled materials and the role perturbations play in altering the behavior.« less

High catalytic activity and stability of Ni/CexZr1-xO2/MSU-H for CH4/CO2 reforming reaction

NASA Astrophysics Data System (ADS)

Chang, Xiaoqian; Liu, Bingsi; Xia, Hong; Amin, Roohul

2018-06-01

How to reduce emission of CO2 as greenhouse gases, which resulted in global warming, is of very important significance. A series of Ni/CexZr1-xO2/MSU-H catalysts was prepared by means of hexagonally ordered mesoporous MSU-H with thermal and hydrothermal stabilities, which is cheap and can be synthesized in the large scale. The 10%Ni/Ce0.75Zr0.25O2/MSU-H catalyst presents high catalytic activity, stability and the ability of coke-resistance for CH4/CO2 reforming reaction due to high SBET (428 m2/g) and smaller Nio nanoparticle size (3.14 nm). The high dispersed Nio nanoparticles over MSU-H promoted the decomposition of CH4 and the carbon species accumulated on active Nio sites reacting with crystal lattice oxygen in Ce0.75Zr0.25O2 to form CO molecules. In the meantime, the remained oxygen vacancies on the interface between Nio and Ce0.75Zr0.25O2 could be supplemented via CO2. HRTEM images and XRD results of Ni/Ce0.75Zr0.25O2/MSU-H verified that high dispersion of Ni nanoparticles over Ni/Ce0.75Zr0.25O2/MSU-H correlated closely with the synergistic action between Ce0.75Zr0.25O2 and MSU-H as well as hexagonally ordered structure of MSU-H, which can provide effectively the oxygen storage capacity and inhibit the formation of coke.

Thermodynamics of Meissner effect and flux pinning behavior in the bulk of single-crystal La 2 - x Sr x CuO 4 ( x = 0.09 )

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

Dhiman, I.; Ziesche, R.; Anand, V. K.

We have studied the magnetic flux pinning behavior and Meissner effect for the high-more » $$T_{\\rm c}$$ single crystal La$$_{2-x}$$Sr$$_{x}$$CuO$$_{4}$$ ($x$ = 0.09) superconductor using the polarized neutron imaging method with varying magnetic field and temperature. In the Meissner state expulsion of magnetic field (switched on during the measurements) is visualized, and the signatures of mixed state with increasing temperature are observed. While, for flux pinning behavior between 5 K $$\\leq$$ $T$ $$\\leq$$ 15 K and $$H_{\\rm ext}$$ = 63.5 mT (switched off during the measurements), the evolution of fringe pattern for both 0$$^{o}$$ and 90$$^{o}$$ sample orientation indicates magnetic flux pinning inside the bulk of the sample. At 25 K $$\\leq$$ $T$ $$\\leq$$ 32 K, a continuous decrease of inhomogeneously distribution pinned magnetic flux is observed, with the sample reaching a normal conducting state at $$T_{\\rm c}$$ ($$\\approx$$ 32 K). The flux pinning behavior is also explored as a function of $$H_{\\rm ext}$$, at $T$ = 5 K. As expected, with increasing $$H_{\\rm ext}$$ an increase in fringe density is observed, indicating an increase in magnetic flux pinning in the bulk of the sample. Therefore, in the present work for the first time we report bulk visualization of Meissner effect and flux pinning behavior in high-$$T_{\\rm c}$$ La$$_{2-x}$$Sr$$_{x}$$CuO$$_{4}$$ ($x$ = 0.09) superconductor. This study clearly demonstrates the potential of real space polarized neutron imaging technique for the visualization of the superconducting mixed state, particularly in the field of high-$$T_{\\rm c}$$ superconductors.« less

Beneficial Effect of S-Filling on Thermoelectric Properties of S x Co4Sb11.2Te0.8 Skutterudite

NASA Astrophysics Data System (ADS)

Wang, Hongtao; Duan, Bo; Bai, Guanghui; Li, Jialiang; Yu, Yue; Yang, Houjiang; Chen, Gang; Zhai, Pengcheng

2018-06-01

In this work, Te-doped and S-filled S x Co4Sb11.2Te0.8 ( x = 0.1, 0.15, 0.2, 0.25, 0.3, 0.4) skutterudite compounds have been prepared using solid state reaction and spark plasma sintering. Thermoelectric measurements of the consolidated samples were examined in a temperature range of 300-850 K, and the influences of S-addition on the thermoelectric properties of S x Co4Sb11.2Te0.8 skutterudites are systematically investigated. The results indicate that the addition of sulfur and tellurium is effective in reducing lattice thermal conductivity due to the point-defect scattering caused by tellurium substitutions and the cluster vibration brought by S-filling. The solubility of tellurium in skutterudites is enhanced with sulfur addition via charge compensation. The thermal conductivity decreases with increasing sulfur content. The highest figure of merit, ZT = 1.5, was obtained at 850 K for S0.3Co4Sb11.2Te0.8 sample, because of the low lattice thermal conductivity.

Effects of the Particulate Matter2.5 (PM2.5) on Lipoprotein Metabolism, Uptake and Degradation, and Embryo Toxicity

PubMed Central

Kim, Jae-Yong; Lee, Eun-Young; Choi, Inho; Kim, Jihoe; Cho, Kyung-Hyun

2015-01-01

Particulate matter2.5 (PM2.5) is notorious for its strong toxic effects on the cardiovascular, skin, nervous, and reproduction systems. However, the molecular mechanism by which PM2.5 aggravates disease progression is poorly understood, especially in a water-soluble state. In the current study, we investigated the putative physiological effects of aqueous PM2.5 solution on lipoprotein metabolism. Collected PM2.5 from Seoul, Korea was dissolved in water, and the water extract (final 3 and 30 ppm) was treated to human serum lipoproteins, macrophages, and dermal cells. PM2.5 extract resulted in degradation and aggregation of high-density lipoprotein (HDL) as well as low-density lipoprotein (LDL); apoA-I in HDL aggregated and apo-B in LDL disappeared. PM2.5 treatment (final 30 ppm) also induced cellular uptake of oxidized LDL (oxLDL) into macrophages, especially in the presence of fructose (final 50 mM). Uptake of oxLDL along with production of reactive oxygen species was accelerated by PM2.5 solution in a dose-dependent manner. Further, PM2.5 solution caused cellular senescence in human dermal fibroblast cells. Microinjection of PM2.5 solution into zebrafish embryos induced severe mortality accompanied by impairment of skeletal development. In conclusion, water extract of PM2.5 induced oxidative stress as a precursor to cardiovascular toxicity, skin cell senescence, and embryonic toxicity via aggregation and proteolytic degradation of serum lipoproteins. PMID:26615830

Composition-property relationships in (Gd3-xLux)(GayAl5-y)O12:Ce (x = 0, 1, 2, 3 and y = 0, 1, 2, 3, 4) multicomponent garnet scintillators

NASA Astrophysics Data System (ADS)

Luo, Jialiang; Wu, Yuntao; Zhang, Guoqing; Zhang, Huaijin; Ren, Guohao

2013-12-01

The (LuxGd3-x)(GayAl5-y)O12:Ce (x = 0, 1, 2, 3 and y = 0, 1, 2, 3, 4) scintillating polycrystalline powders were prepared by high temperature solid state reaction method. A pure cubic phase was confirmed in all samples by X-ray diffraction (XRD). X-ray excited luminescence (XEL), photoluminescence excitation and emission spectra were employed to study the influence of Gd3+-Ga3+ admixture on the luminescent mechanism of Ce3+ as well as the energy transfer from Gd3+ to Ce3+. The band-gap structures with varying Gd3+ and Ga3+ content were constructed to understand the luminescence behaviors. In addition, thermoluminescence spectra (TL) were utilized to identify the moving of conduction band (CB) by monitoring the shift of the corresponding TL peaks. Finally, it was found that incorporation of 40 mol% (y = 2) Ga3+ and 33.3-66.7 mol% (x = 1-2) Gd3+ could secure enough energy-separation between CB and 5d1 of Ce3+ avoiding thermal ionization effect at utmost, and bury the antisite defect traps into CB, and in turn achieving the optimum scintillation efficiency.

Oxygen ionic conductivity of NTE materials of cubic Zr 1- xLn xW 2- yMo yO 8- x/2 (Ln = Er, Yb)

NASA Astrophysics Data System (ADS)

Li, Hai-Hua; Xia, Hai-Ting; Jing, Xi-Ping; Zhao, Xin-Hua

2008-08-01

Cubic Zr 1- xLn xW 2- yMo yO 8- x/2 (Ln = Er: x = 0.01, 0.02, 0.03; y = 0; Ln = Yb: x = 0.02, 0.03; y = 0.4) solid solutions, well-known negative thermal expansion (NTE) materials were prepared by using conventional solid state reactions. The morphology and the composition of the fracture surfaces of the ceramic pellets were determined by SEM and EDX technology. The conductance properties of the pellets, such as conductivity and conductance activation energy, were studied by AC impedance spectroscopy and the materials perform clearly oxygen ionic conduction with the conductivity of about 10 -4 S cm -1 at 673 K, a comparable value to that of ceria based solid electrolytes. The substitution of Mo for W enhanced the thermal stability of ZrW 2O 8, so that the conductivity of Zr 0.98Yb 0.02W 1.6Mo 0.4O 7.99 ceramic can be measured up to 873 K, which is about 5.9 × 10 -4 S cm -1.

Two superconducting transitions in single-crystal La 2 - x Ba x CuO 4

DOE PAGES

Tee, X. Y.; Ito, T.; Ushiyama, T.; ...

2017-02-27

Here, we use spatially-resolved transport techniques to investigate the superconducting properties of single crystals La 2-xBa xCuO 4. We also found a superconducting transition temperature T cs associated with the ab-plane surface region which is considerably higher than the bulk T c. This effect is pronounced in the region of charge carrier doping x with strong spin-charge stripe correlations, reaching T cs = 36 K or 1.64T c.

A Rutile Chevron Modulation in Delafossite-Like Ga 3–x In 3 Ti x O 9+x/2

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

Rickert, Karl; Boullay, Philippe; Malo, Sylvie

2016-05-02

The structure solution of the modulated, delafossite-related, orthorhombic Ga 3–xIn 3Ti xO 9+x/2 for x = 1.5 is reported here in conjunction with a model describing the modulation as a function of x for the entire system. Previously reported structures in the related A 3–xIn 3Ti xO 9+x/2 (A = Al, Cr, or Fe) systems use X-ray diffraction to determine that the anion lattice is the source of modulation. Neutron diffraction, with its enhanced sensitivity to light atoms, offers a route to solving the modulation and is used here, in combination with precession electron diffraction tomography (PEDT), to solve themore » structure of Ga 1.5In 3Ti 1.5O 9.75. We construct a model that describes the anion modulation through the formation of rutile chevrons as a function of x. This model accommodates the orthorhombic phase (1.5 ≤ x ≤ 2.1) in the Ga 3-xIn 3Ti xO 9+x/2 system, which transitions to a biphasic mixture (2.2 ≤ x ≤ 2.3) with a monoclinic, delafossite-related phase (2.4 ≤ x ≤ 2.5). The optical band gaps of this system are determined, and are stable at ~3.4 eV before a ~0.4 eV decrease between x = 1.9 and 2.0. After this decrease, stability resumes at ~3.0 eV. Resistance to oxidation and reduction is also presented.« less

Cerebral vasculopathy after 4-bromo-2,5-dimethoxyphenethylamine ingestion.

PubMed

Ambrose, Josiah B; Bennett, Heather D; Lee, Han S; Josephson, S Andrew

2010-05-01

4-bromo-2,5-dimethoxyphenethylamine (2C-B) is a designer-drug variant of 3,4-methylenedioxymethamphetamine (ecstasy) whose recreational use has increased significantly over the last 10 years. Neurologic consequences of 2C-B usage are currently unknown. A 43-year-old woman experienced severe headaches within 48 hours of taking liquid 2C-B, after which time she developed progressive encephalopathy and quadraparesis, which did not improve over several months. MRA and cerebral angiogram imaging demonstrated profound vascular abnormalities of large, medium, and small-caliber vessels with subsequent watershed infarction. Brain biopsy and cerebrospinal fluid studies ruled out an inflammatory process. This case demonstrates an idiosyncratic and devastating neurologic response to 2C-B, a recreational drug whose popularity has increased with widespread availability of online guides for its synthesis.

Shielding properties of 80TeO2-5TiO2-(15-x) WO3-xAnOm glasses using WinXCom and MCNP5 code

NASA Astrophysics Data System (ADS)

Dong, M. G.; El-Mallawany, R.; Sayyed, M. I.; Tekin, H. O.

2017-12-01

Gamma ray shielding properties of 80TeO2-5TiO2-(15-x) WO3-xAnOm glasses, where AnOm is Nb2O5 = 0.01, 5, Nd2O3 = 3, 5 and Er2O3 = 5 mol% have been achieved. Shielding parameters; mass attenuation coefficients, half value layers, and macroscopic effective removal cross section for fast neutrons have been computed by using WinXCom program and MCNP5 Monte Carlo code. In addition, by using Geometric Progression method (G-P), exposure buildup factor values were also calculated. Variations of shielding parameters are discussed for the effect of REO addition into the glasses and photon energy.

Synthesis and properties of the compound: LiNi 3/5Cu 2/5VO 4

NASA Astrophysics Data System (ADS)

Ram, Moti

2009-12-01

The LiNi 3/5Cu 2/5VO 4 is synthesized by solution-based chemical method and its formation has been checked by X-ray diffraction (XRD) study. XRD study shows a tetragonal unit cell structure with lattice parameters of a = 11.6475 (18) Å, c = 2.4855 (18) Å and c/ a = 0.2134 Å. Electrical properties are verified using complex impedance spectroscopy (CIS) technique. Complex impedance analysis reveals following points: (i) the bulk contribution to electrical properties up to 200 °C, (ii) the bulk and grain boundary contribution at T ≥ 225 °C, (iii) the presence of temperature dependent electrical relaxation phenomena in the material. D.c. conductivity study indicates that electrical conduction in the material is a thermally activated process.

The X-ray Integral Field Unit (X-IFU) for Athena

NASA Technical Reports Server (NTRS)

Ravera, Laurent; Barret, Didier; Willem den Herder, Jan; Piro, Luigi; Cledassou, Rodolphe; Pointecouteau, Etienne; Peille, Philippe; Pajot, Francois; Arnaud, Monique; Pigot, Claude;

An in situ X ray diffraction study of the kinetics of the Ni2SiO4 olivine-spinel transformation

NASA Technical Reports Server (NTRS)

Rubie, D. C.; Tsuchida, Y.; Yagi, T.; Utsumi, W.; Kikegawa, T.

1990-01-01

The kinetics of the olivine-spinel transformation in Ni2SiO4 were investigated in an in situ X-ray diffraction experiments in which synchrotron radiation was used as an X-ray source. The starting material was Ni2SO4 olivine which was hot-pressed in situ at 980 C and 2.5 GPa; during the transformation, X-ray diffraction patterns were collected at intervals of 30 or 120 sec. The kinetic data were analyzed using Cahn's (1956) model. The activation energy for growth at 3.6-3.7 GPa was estimated as 438 + or - 199 kJ/mol. It is shown that, in order to make significant extrapolations of the kinetic data to a geological scale, the dependence of the rates of both nucleation and growth on temperature and pressure must be evaluated separately.

Designing new lithium-excess cathode materials from percolation theory: Nanohighways in Li xNi 2–4x/3Sb x/3O 2

DOE PAGES

Twu, Nancy; Li, Xin; Urban, Alexander; ...

2014-12-17

Increasing lithium content is shown to be a successful strategy for designing new cathode materials. In layered Li xNi 2–4x/3Sb x/3O 2 (x = 1.00–1.15), lithium excess improves both discharge capacity and capacity retention at 1C. Structural studies disclose a complex nanostructure pattern of Li–Sb and Ni–Sb ordering where the interface between these domains forms the correct local configuration for good lithium mobility. The <1 nm Li–Sb stripe domains and their interfaces thereby effectively act as nanohighways for lithium diffusion.

Tandem pseudopericyclic reactions: [1,5]-X sigmatropic shift/6pi-electrocyclic ring closure converting N-(2-X-carbonyl)phenyl ketenimines into 2-X-quinolin-4(3H)-ones.

PubMed

Alajarín, Mateo; Ortín, María-Mar; Sanchez-Andrada, Pilar; Vidal, Angel

2006-10-13

N-(2-X-Carbonyl)phenyl ketenimines undergo, under mild thermal conditions, [1,5]-migration of the X group from the carbonyl carbon to the electron-deficient central carbon atom of the ketenimine fragment, followed by a 6pi-electrocyclic ring closure of the resulting ketene to provide 2-X-substituted quinolin-4(3H)-ones in a sequential one-pot manner. The X groups tested are electron-donor groups, such as alkylthio, arylthio, arylseleno, aryloxy, and amino. When involving alkylthio, arylthio, and arylseleno groups, the complete transformation takes place in refluxing toluene, whereas for aryloxy and amino groups the starting ketenimines must be heated at 230 degrees C in a sealed tube in the absence of solvent. The mechanism for the conversion of these ketenimines into quinolin-4(3H)-ones has been studied by ab initio and DFT calculations, using as model compounds N-(2-X-carbonyl)vinyl ketenimines bearing different X groups (X = F, Cl, OH, SH, NH(2), and PH(2)) converting into 4(3H)-pyridones. This computational study afforded two general reaction pathways for the first step of the sequence, the [1,5]-X shift, depending on the nature of X. When X is F, Cl, OH, or SH, the migration occurs in a concerted mode, whereas when X is NH(2) or PH(2), it involves a two-step sequence. The order of migratory aptitudes of the X substituents at the acyl group is predicted to be PH(2) > Cl > SH > NH(2) > F> OH. The second step of the full transformation, the 6pi-electrocyclic ring closure, is calculated to be concerted and with low energy barriers in all the cases. We have included in the calculations an alternative mode of cyclization of the N-(2-X-carbonyl)vinyl ketenimines, the 6pi-electrocyclic ring closure leading to 1,3-oxazines that involves its 1-oxo-5-aza-1,3,5-hexatrienic system. Additionally, the pseudopericyclic topology of the transition states for some of the [1,5]-X migrations (X = F, Cl, OH, SH), for the 6pi-electrocyclization of the ketene intermediates to the 4

Crystallographic study of three coronary vasodilators of the nitrate ester type: 1,4- trans-cyclohexanedimethanol dinitrate, 1,4:3,6-dianhydro- D-glucitol-2,5-dinitrate and 1,4:3,6-dianhydro- D-glucitol-2-mononitrate

NASA Astrophysics Data System (ADS)

Kanters, J. A.; Schouten, A.; Sterk, G. J.; de Jong, M. H.

1993-10-01

The crystal structures of three vasodilators of the nitrate ester type have been determined by X-ray diffraction. Compound I, 1,4- trans-cyclohexanedimethanol dinitrate (CDDN), C 8H 14N 2O 6, is a recently developed nitrate ester with a promising haemodynamic profile in the treatment of ischaemic heart diseases. CDDN crystallizes in space group P2 1/a with a = 5.9443(4), b = 16.7052(9), c = 6.2022(2) Å, β = 116.669(4)°, Z = 2 and T = 295 K. The molecule lies on a centre of inversion and the structure refined to R = 0.042 for 991 reflections with I > 2.5σ( I). The cyclohexane ring approaches an ideal chair conformation and the C-O-NO 2 fragment is strictly planar. Compound II is the widely applied vasodilator in angina pectoris, isosorbide dinitrate or 1,4:3,6-dianhydro- D-glucitol-2,5-dinitrate (ISDN), C 6H 8N 2O 8. ISDN crystallizes in space group P22 12 1 with a = 5.7535(2), b = 10.9393(5), c = 14.6599(5)Å, Z = 4 and T = 295 K. The structure refined to R = 0.033 for 1104 reflections with I > 2.5σ( I). The molecular skeleton consists of two cis-fused five-membered rings, which each adopt an envelope conformation such that the torsion angels about the central CC bond are 0.3(2) and -7.8(2)°. The angle between the rings is 60.8(1)° and the two nitrate groups are planar. Compound III, isosorbide-2-mononitrate or 1,4:3,6-dianhydro- D-glucitol-2-mononitrate (IS-2MN), C 6H 9NO 6, is an active metabolite of II and crystallizes in space group P2 12 12 1 with a = 6.4318(4), b = 7.5273(4), c = 15.866(1)Å Z = 4 and T = 100 K. The structure refined to R = 0.031 for 1488 reflections with I > 2.5σ( I). The skeleton of III is very similar to that of II. The torsion angles about the central CC bond are 2.4(2) and -3.1(2)°, the interplanar angle is 61.5(1)° and the nitrate group is strictly planar.

Elastic, vibration and thermodynamic properties of Cu1‑x Ag x InTe2 (x = 0, 0.25, 0.5, 0.75 and 1) chalcopyrite compounds via first principles

NASA Astrophysics Data System (ADS)

Zhong, Yuhan; Wang, Peida; Mei, Huayue; Jia, Zhenyuan; Cheng, Nanpu

2018-06-01

CuInTe2 chalcopyrite compound is widely used in the fields of optoelectronics and pyroelectricity, and doping atoms can further improve the physical properties of the CuInTe2 compound. For all we know, this is the first time that the elastic behaviors and lattice dynamical properties of Ag-doped CuInTe2 compounds with the tetragonal system are determined theoretically. The elastic, lattice dynamical and thermal properties of Cu1‑x Ag x InTe2 (x = 0, 0.25, 0.5, 0.75 and 1) compounds have been investigated by using density functional theory. The obtained elastic constants of Cu1‑x Ag x InTe2 compounds indicate that these compounds are mechanically stable and elastic anisotropic. The anisotropy of the {001} plane is more obvious than those of the {100} and {010} planes. Additionally, with increasing Ag doping concentrations, the bulk and shear moduli of Cu1‑x Ag x InTe2 compounds decrease and their toughness improves. The phonon spectra and density of states reveal that Cu (or Ag) atoms in Cu1‑x Ag x InTe2 compounds form chemical bonds with Te atoms, and Cu-Te bonds are gradually replaced by Ag-Te bonds with increasing Ag doping concentration. Vibration modes of Cu1‑x Ag x InTe2 compounds at the {{Γ }} point in the Brillouin zone show that each Cu1‑x Ag x InTe2 (x = 0 and 1) crystal includes five irreducible representations (A1, A2, B1, B2 and E). As for Cu1‑x Ag x InTe2 (x = 0.25, 0.5 and 0.75) compounds, each crystal has three irreducible representations (A, B and E). The atomic displacements of several typical phonon modes in CuInTe2 crystals have been analyzed to deepen the understanding of lattice vibrations in Cu1‑x AgxInTe2 compounds. With increasing Ag doping concentration, the Debye temperatures of Cu1‑x Ag x InTe2 compounds decrease, while their heat capacities increase.

Photoluminescence and scintillation properties of Ce-doped Sr2(Gd1-xLux)8(SiO4)6O2 (x = 0.1, 0.2, 0.4, 0.5, 0.6) crystals

NASA Astrophysics Data System (ADS)

Igashira, Takuya; Kawano, Naoki; Okada, Go; Kawaguchi, Noriaki; Yanagida, Takayuki

2018-05-01

Apatite crystals with chemical compositions of 0.5% Ce-doped Sr2(Gd1-xLux)8(SiO4)6O2 (x = 0.1, 0.2, 0.4, 0.5, 0.6) were synthesized by the Floating Zone method, and then we evaluated their photoluminescence (PL) and scintillation properties. All the Ce-doped samples exhibited PL and scintillation with an intense broad emission in 400-550 nm in which the origin was attributed to the 5d-4f transition of Ce3+, and the emission peak became broader with increasing the concentration of Lu3+. Both PL and scintillation decay time profiles were best-approximated by a sum of two exponential decay functions, and the origin of slower component was attributed to the 5d-4f transition of Ce3+. In the X-ray induced afterglow measurements, the Ce-doped Sr2(Gd0.4Lu0.6)8(SiO4)6O2 sample exhibited the lowest afterglow level. Furthermore, the Ce-doped Sr2(Gd0.5Lu0.5)8(SiO4)6O2 and Sr2(Gd0.4Lu0.6)8(SiO4)6O2 samples showed a clear full energy deposited peak under 5.5 MeV 241Am α-ray irradiation, and the estimated absolute scintillation light yields were around 290 and 1300 ph/5.5 MeV-α, respectively.

Cation disorder in MgX2O4 (X = Al, Ga, In) spinels from first principles

NASA Astrophysics Data System (ADS)

Jiang, Chao; Sickafus, Kurt E.; Stanek, Christopher R.; Rudin, Sven P.; Uberuaga, Blas P.

2012-07-01

We have performed first-principles density functional theory calculations to investigate the possible physical origins of the discrepancies between the existing theoretical and experimental studies on cation distribution in MgX2O4 (X = Al, Ga, In) spinel oxides. We show that for MgGa2O4 and MgIn2O4, it is crucial to consider the effects of lattice vibrations to achieve agreement between theory and experiment. For MgAl2O4, we find that neglecting short-range order effects in thermodynamic modeling can lead to significant underestimation of the degree of inversion. Furthermore, we demonstrate that the common practice of representing disordered structures by randomly exchanging atoms within a small periodic supercell can incur large computational error due to either insufficient statistical sampling or finite supercell size effects.

Discovery of novel solid solution Ca3Si3-x O3+x N4-2x : Eu2+ phosphors: structural evolution and photoluminescence tuning.

PubMed

Wang, Baochen; Liu, Yan-Gai; Huang, Zhaohui; Fang, Minghao; Wu, Xiaowen

2017-12-22

Discovery of novel phosphors is one of the main issues for improving the color rendering index (CRI) and correlated color temperature (CCT) of white light-emitting diodes (w-LEDs). This study mainly presents a systematic research on the synthesis, crystal structure variation and photoluminescence tuning of novel (oxy)nitride solid solution Ca 3 Si 3-x O 3+x N 4-2x : Eu 2+ phosphors. XRD refinements show that lattice distortion occurs when x value diverges the optimum one (x = 1). The lattice distortion causes a widening of emission spectrum and an increase of Stokes shift (ΔSS), which leads to a bigger thermal quenching. With decrease of x value, the emission spectrum shows an obvious red-shift from 505.2 to 540.8 nm, which is attributed to the crystal field splitting. The enhanced crystal field splitting also broadens the excitation spectrum, making it possible to serve as the phosphor for near ultraviolet (n-UV) LEDs. A 3-phosphor-conversion w-LED lamp was fabricated with the as-prepared phosphor, which exhibits high CRI (Ra = 85.29) and suitable CCT (4903.35 K). All these results indicate that the Ca 3 Si 3-x O 3+x N 4-2x : Eu 2+ phosphor can serve as the green phosphor for n-UV w-LEDs, with a tunable spectrum by controlling the crystal structure and morphology.

Ferroelasticity in palmierite-type(1  -  x)Pb3(PO4)2 - xPb3(AsO4)2

NASA Astrophysics Data System (ADS)

Bismayer, Ulli; Mihailova, Boriana; Angel, Ross

2017-06-01

Lead phosphate-arsenate Pb3(P1-x As x O4)2 undergoes an improper ferroelastic phase transition from a rhombohedral paraphase R\\bar{3}m to a monoclinic ferrophase C2/c leading to distinct twin boundary patterns. On cooling compounds with x larger than 0.8 undergo further transitions to monoclinic low-temperature phases, whereas the composition with x  =  0.8 shows order-parameter coupling phenomena. The transformation R\\bar{3}m -C2/c was described on the basis of a three-state Potts model and the existence of precursors of monoclinic clusters in the rhombohedral paraphase. The system is one of the best studied improper ferroelastics. Due to its two-mode phonon behaviour the solid solution exhibits multistep temperature- as well as pressure-driven structural transformations with different length and time scales. Relevant investigations and findings of this palmierite-type material have been made by Prof E K H Salje. Some of the most prominent results from x-ray diffraction, optical microscopy and Raman scattering are reviewed, and the potential implications for domain-wall structures and engineering are discussed.

Quaternary M{sub 0.25}Cu{sub 0.25}Mg{sub 0.5}Fe{sub 2}O{sub 4} (M = Ni, Zn, Co, Mn) ferrite oxides: Synthesis, characterization and magnetic properties

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

Ciocarlan, Radu George; Laboratory of Adsorption and Catalysis, Department of Chemistry, University of Antwerpen; Pui, Aurel, E-mail: aurel@uaic.ro

2016-09-15

Highlights: • Superparamagnetic quaternary nanoferrite (M{sub 0.25}Cu{sub 0.25}Mg{sub 0.5}Fe{sub 2}O{sub 4,} where M = Mn, Zn, Co, Ni) were obtained. • C, O, H and metals were observed by XPS analysis. • Phases purity were confirmed by XRD diffraction and crystallite size (3–10 nm) were determind. - Abstract: We report the synthesis of M{sub 0.25}Cu{sub 0.25}Mg{sub 0.5}Fe{sub 2}O{sub 4} (where M = Mn, Zn, Co, Ni) nanoparticles using the coprecipitation method in the presence of carboxymethyl cellulose (CMC) as the in-situ surfactant. The crystalline structure and surface morphology were examined by means of X-ray diffraction (XRD) and scanning electron microscopymore » (SEM) and it was established that the average diameter of the magnetic nanoparticles (MNPs) is in the range of 3–10 nm. X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FTIR) show that the MNPs are activated by the hydrophilic groups of the surfactant, which coat them and enhance their stability. The vibrating sample magnetometry measurements show the superparamagnetic behavior of the nanoparticles. Due to their small crystallite size, which implies large surface area, and their functionalization with organic groups, the obtained nanoparticles could have medical and catalytic applications.« less

CD4+CD25+ Regulatory Cells Contribute to the Regulation of Colonic Th2 Granulomatous Pathology Caused by Schistosome Infection

PubMed Central

Turner, Joseph D.; Jenkins, Gavin R.; Hogg, Karen G.; Aynsley, Sarah A.; Paveley, Ross A.; Cook, Peter C.; Coles, Mark C.; Mountford, Adrian P.

2011-01-01

Eggs of the helminth Schistosoma mansoni accumulate in the colon following infection and generate Th2-biassed inflammatory granulomas which become down- modulated in size as the infection proceeds to chronicity. However, although CD4+CD25+FoxP3+regulatory T cells (Tregs) are known to suppress Th1-mediated colitis, it is not clear whether they control Th2 –associated pathologies of the large intestine which characterise several helminth infections. Here we used a novel 3D-multiphoton confocal microscopy approach to visualise and quantify changes in the size and composition of colonic granulomas at the acute and chronic phases of S. mansoni infection. We observed decreased granuloma size, as well as reductions in the abundance of DsRed+ T cells and collagen deposition at 14 weeks (chronic) compared to 8 weeks (acute) post-infection. Th2 cytokine production (i.e. IL-4, IL-5) in the colonic tissue and draining mesenteric lymph node (mLN) decreased during the chronic phase of infection, whilst levels of TGF-β1 increased, co-incident with reduced mLN proliferative responses, granuloma size and fibrosis. The proportion of CD4+CD25+FoxP3+Tregs: CD4+ cells in the mLN increased during chronic disease, while within colonic granulomas there was an approximate 4-fold increase. The proportion of CD4+CD25+FoxP3+Tregs in the mLN that were CD103+ and CCR5+ also increased indicating an enhanced potential to home to intestinal sites. CD4+CD25+ cells suppressed antigen-specific Th2 mLN cell proliferation in vitro, while their removal during chronic disease resulted in significantly larger granulomas, partial reversal of Th2 hypo-responsiveness and an increase in the number of eosinophils in colonic granulomas. Finally, transfer of schistosome infection-expanded CD4+CD25+Tregs down-modulated the development of colonic granulomas, including collagen deposition. Therefore, CD4+CD25+FoxP3+Tregs appear to control Th2 colonic granulomas during chronic infection, and are likely to play a

Assessment of errors and biases in retrievals of X CO2, X CH4, X CO, and X N2O from a 0.5 cm –1 resolution solar-viewing spectrometer

DOE PAGES

Hedelius, Jacob K.; Viatte, Camille; Wunch, Debra; ...

2016-08-03

Bruker™ EM27/SUN instruments are commercial mobile solar-viewing near-IR spectrometers. They show promise for expanding the global density of atmospheric column measurements of greenhouse gases and are being marketed for such applications. They have been shown to measure the same variations of atmospheric gases within a day as the high-resolution spectrometers of the Total Carbon Column Observing Network (TCCON). However, there is little known about the long-term precision and uncertainty budgets of EM27/SUN measurements. In this study, which includes a comparison of 186 measurement days spanning 11 months, we note that atmospheric variations of X gas within a single day aremore » well captured by these low-resolution instruments, but over several months, the measurements drift noticeably. We present comparisons between EM27/SUN instruments and the TCCON using GGG as the retrieval algorithm. In addition, we perform several tests to evaluate the robustness of the performance and determine the largest sources of errors from these spectrometers. We include comparisons of X CO2, X CH4, X CO, and X N2O. Specifically we note EM27/SUN biases for January 2015 of 0.03, 0.75, –0.12, and 2.43 % for X CO2, X CH4, X CO, and X N2O respectively, with 1 σ running precisions of 0.08 and 0.06 % for X CO2 and X CH4 from measurements in Pasadena. We also identify significant error caused by nonlinear sensitivity when using an extended spectral range detector used to measure CO and N 2O.« 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.

Impacts of Stratospheric Sulfate Geoengineering on PM2.5

NASA Astrophysics Data System (ADS)

Robock, A.; Xia, L.; Tilmes, S.; Mills, M. J.; Richter, J.; Kravitz, B.; MacMartin, D.

2017-12-01

Particulate matter (PM) includes sulfate, nitrate, organic carbon, elemental carbon, soil dust, and sea salt. The first four components are mostly present near the ground as fine particulate matter with a diameter less than 2.5 µm (PM2.5), and these are of the most concern for human health. PM is efficiently scavenged by precipitation, which is its main atmospheric sink. Here we examine the impact of stratospheric climate engineering on this important pollutant and health risk, taking advantage of two sets of climate model simulations conducted at the National Center for Atmospheric Research. We use the full tropospheric and stratospheric chemistry version of the Community Earth System Model - Community Atmospheric Model 4 (CESM CAM4-chem) with a horizontal resolution of 0.9° x 1.25° lat-lon to simulate a stratospheric sulfate injection climate intervention of 8 Tg SO2 yr-1 combined with an RCP6.0 global warming forcing, the G4 Specified Stratospheric Aerosol (G4SSA) scenario. We also analyze the output from a 20-member ensemble of Community Earth System Model, version 1 with the Whole Atmosphere Community Climate Model as its atmospheric component (CESM1(WACCM)) simulations, also at 0.9° x 1.25° lat-lon resolution, with sulfur dioxide injection at 15°N, 15°S, 30°N, and 30°S varying in time to balance RCP8.5 forcing. While the CESM CAM4-chem model has full tropospheric and stratospheric chemistry, CESM1(WACCM) has an internally generated quasi-biennial oscillation and a comprehensive tropospheric and stratospheric sulfate aerosol treatment, but only stratospheric chemistry. For G4SSA, there are a global temperature reduction of 0.8 K and global averaged precipitation decrease of 3% relative to RCP6.0. The global averaged surface PM2.5 reduces about 1% compared with RCP6.0, mainly over Eurasian and East Asian regions in Northern Hemisphere winter. The PM2.5 concentration change is a combination of effects from tropospheric chemistry and precipitation

Effect of Mixed Glass Former on Ionic Conductivity of Silver Boro Tungstate glass system x[0.75AgI:0.25AgCl]: (1-x) [Ag2O-{B2O3:WO3}

NASA Astrophysics Data System (ADS)

Dehariya, Harsha; Kumar, R.; Polu, A. R.

2012-05-01

The idea to explore new 'Superionic Electrolytes', "Fast ionic conductors" is due to their tremendous potential applications in solid state electrochemical devices viz. solid state batteries, fuel cells, sensors, super capacitors. Superionic glasses have attracted great deal of attention due to their several advantageous over their crystalline counterparts such as high ionic conductivity, easy preparation, wide selection of compositions, isotropic properties and high stability etc [4-7]. Large numbers of silver ion based glasses have been reported in the literature for the glassy system of AgI:Ag2O: MxOy (MxOy = B2O3, SiO2, P2O5, GeO2, V2O5, As2O5, CrO3, SeO2, MoO3 & TeO3 etc many of them shows high silver ion conductivity [8]. Ion transport behavior of Silver Boro Tungstate glass system x[0.75AgI:0.25AgCl]: (1-x) [Ag2O{B2O3:WO3}], where 0 <= x <= 1 in molar wt% prepared by melt quench technique were reported. The new host [0.75AgI:0.25AgCl] was used as a better alternate in place of conventional host salt AgI. Conductivity measurement were carried out on this glass system as a function of frequency from 50 Hz to 5 MHz, over a temperature range of 27°C to 200°C, for different compositions by Impedance spectroscopy. The composition 0.7[0.75AgI:0.25AgCl]: 0.3[Ag2O{B2O3:WO3}] shows the highest conductivity of the order of σrt ~ 2.76 × 10-2 S/cm, referred to as the Optimum Conducting Composition (OCC). The enhancement in the conductivity has been obtained by mixed former effect. XRD result shows that the system is completely amorphous. Temperature dependence of conductivity of all compositions were studied & reported. Activation energies (Ea) were also evaluated from the slope of .Log(σ) vs 1000/T, Arrhenius plots.

Photoelectric properties of defect chalcogenide HgGa{sub 2}X{sub 4} (x=S, Se, Te)

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

Sharma, Ramesh; Dwivedi, Shalini; Sharma, Yamini, E-mail: sharma.yamini62@gmail.com

2016-05-06

We present results of ab initio study of ordered vacancy compounds of mercury. The electronic structure, charge density, optical and transport properties of the semiconductor family HgGa{sub 2}X{sub 4} (X=S, Se, Te) are calculated using the full potential linearized augmented plane wave method which is based on the density functional theory. A direct bandgap is observed in these compounds, which reduces in the order S>Se>Te. From the density of states it is observed that there is strong hybridization of Hg-d, Ga-d and X-p states. The optical properties show a red shift with increasing size and atomic no. of the chalcogenidemore » atoms. We have also reported the transport properties of mercury thiogallates for the first time. The selenide compound exhibits n-type nature whereas HgGa{sub 2}S{sub 4} and HgGa{sub 2}Te{sub 4} show p-type behavior. The power factor and ZT for the HGS increases at low temperatures, the figure of merit is highest for HgGa{sub 2}Se{sub 4} (1.17) at 19 K.« less

Synthesis of Zn1- x Co x Al2O4 Spinel Nanoparticles by Liquid-Feed Flame Spray Pyrolysis: Ceramic Pigments Application

NASA Astrophysics Data System (ADS)

Betancur Granados, Natalia; Yi, Eongyu; Laine, Richard M.; Restrepo Baena, Oscar Jaime

2016-01-01

Zn1- x Co x Al2O4 ( x = 0.0, 0.2, 0.4, 0.6, 0.8, and 1.0) spinel nanoparticles were synthesized by a liquid-feed flame spray pyrolysis (LF-FSP) method by combusting metallorganic precursor solutions to produce nanopowders with precise composition control. The precursor solutions were aerosolized into a methane/oxygen flame where it was combusted in an oxygen-rich environment to result in nanopowders at a single step. The nanopowders were analyzed by x-ray diffraction, Fourier transform infrared spectroscopy, colorimetry, field emission scanning electron microscopy, transmission electron microscopy, and BET (Brunauer-Emmett-Teller) N2 adsorption. Results show formation of spherical nanopowders with specific surface areas of 42 m2/g to 50 m2/g, which correspond to average particle sizes of 26 nm to 31 nm. Single-phase materials were obtained with a high control of composition, which indicates that LF-FSP is an excellent method to produce mixed-metal oxides for applications in which powder homogeneity is crucial. The products were evaluated for ceramic pigment application, where the ratio of Zn to Co was gradually changed to observe the color change in the structure with the increase of cobalt concentration. The resulting pigments were calcined at 1200°C, which aimed to identify the color stability after a high-temperature process, whereby the colors were measured using the color space CIE L*a*b* under standardized light, D65. Finally, the powders were tested for ceramic decoration using transparent glazes and ceramic bodies. The application was carried out at 1250°C to evaluate the color performance after a decoration process.

Low temperature magnetization and anomalous high temperature dielectric behaviour of (1-x) YMnO3/xZnFe2O4 composites

NASA Astrophysics Data System (ADS)

Kumar, Virendra; Gaur, Anurag

2018-04-01

We synthesized YMnO3 and ZnFe2O4 composites, (1-x)YMnO3/x(ZnFe2O4) with x = 0, 0.05, 0.10, and 0.15 by high temperature sintering. X-ray diffraction (XRD) patterns indicate the successful formation of composites. Weak ferromagnetism is manifested below Néel temperature (TN) for pristine YMnO3, according to (M-H) study performed at 10 K. For (1-x)YMnO3/xZnFe2O4 (x = 0.05, 0.10, 0.15) a thin coercivity is observed in all compositions, due to short range magnetic ordering at low temperature after the insertion of ZnFe2O4. For pristine YMnO3 explicit divarication between FC-ZFC curves is observed, with crimps observed in both FC and ZFC curves at 75 K, which is the TN of YMnO3. For 1-x(YMnO3)/x ZnFe2O4 composites (x = 0.05, 0.10, 0.15) crimps are perceived only in ZFC curves at slightly varying values of 39.8, 42.32 and 45.63 K respectively. Anomalous peaks are observed in high temperature dielectric curves above 400 K for 1-x(YMnO3)/xZnFe2O4 (x = 0, 0.05, 0.10, 0.15) composites due to Maxwell-Wagner relaxation effect.

Observation of the magnetic C 4 phase in Ca 1 - x Na x Fe 2 As 2 and its universality in the hole-doped 122 superconductors

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

Taddei, K. M.; Allred, J. M.; Bugaris, D. E.

Since its discovery in 2014, the magnetic tetragonal C 4 phase has been identified in a growing number of hole-doped 122 Fe-based superconducting compounds. Exhibiting a unique double-Q magnetic structure and a strong competition with both superconducting and magnetic order parameters, the C 4 phase and the conditions of its formation are of significant interest to understanding the fundamental mechanisms in these materials. Particularly, separating the importance of direct changes to the relative size of hole and electron pockets at the Fermi surface (achieved via charge doping) from the role of structural changes due to differences of ionic radii ofmore » dopants is useful to determine the underlying parameter which causes the C 4 instability. Here, we report the discovery of the C 4 phase in a fourth member of the hole-doped 122 materials Ca 1-xNa xFe 2As 2(0.20 ≤ x ≤ 0.50) as determined from neutron and x-ray powder diffraction studies. The maximum of the C 4 dome is observed at x = 0.44 with a reentrant temperature T r = 52 K and an extent of Δx ~ 0.07 in composition. It is observed that for a range of compositions within the C 4 dome (0.40 ≤ x ≤ 0.42), there is a second reentrance (Tr 2 < Tr) where the antiferromagnetic C 2 phase is recovered—a feature previously only seen in Ba 1-xK xFe 2As 2. A phase diagram is presented for Ca 1-xNa xFe 2As 2 and compared to the other Na-doped 122's—A 1-xNa xFe 2As 2 with A = Ba, Sr, and Ca. Lastly, the structural parameters for these three systems are compared and the importance of the “chemical pressure” due to changing the A-site ion (A = Ba, Sr, Ca) is discussed.« less

Observation of the magnetic C 4 phase in Ca 1 - x Na x Fe 2 As 2 and its universality in the hole-doped 122 superconductors

DOE PAGES

Taddei, K. M.; Allred, J. M.; Bugaris, D. E.; ...

2017-02-15

Since its discovery in 2014, the magnetic tetragonal C 4 phase has been identified in a growing number of hole-doped 122 Fe-based superconducting compounds. Exhibiting a unique double-Q magnetic structure and a strong competition with both superconducting and magnetic order parameters, the C 4 phase and the conditions of its formation are of significant interest to understanding the fundamental mechanisms in these materials. Particularly, separating the importance of direct changes to the relative size of hole and electron pockets at the Fermi surface (achieved via charge doping) from the role of structural changes due to differences of ionic radii ofmore » dopants is useful to determine the underlying parameter which causes the C 4 instability. Here, we report the discovery of the C 4 phase in a fourth member of the hole-doped 122 materials Ca 1-xNa xFe 2As 2(0.20 ≤ x ≤ 0.50) as determined from neutron and x-ray powder diffraction studies. The maximum of the C 4 dome is observed at x = 0.44 with a reentrant temperature T r = 52 K and an extent of Δx ~ 0.07 in composition. It is observed that for a range of compositions within the C 4 dome (0.40 ≤ x ≤ 0.42), there is a second reentrance (Tr 2 < Tr) where the antiferromagnetic C 2 phase is recovered—a feature previously only seen in Ba 1-xK xFe 2As 2. A phase diagram is presented for Ca 1-xNa xFe 2As 2 and compared to the other Na-doped 122's—A 1-xNa xFe 2As 2 with A = Ba, Sr, and Ca. Lastly, the structural parameters for these three systems are compared and the importance of the “chemical pressure” due to changing the A-site ion (A = Ba, Sr, Ca) is discussed.« less

Investigation of phase transitions in LiK 1- x(NH 4) xSO 4 mixed crystal

NASA Astrophysics Data System (ADS)

Freire, P. T. C.; Paraguassu, W.; Silva, A. P.; Pilla, O.; Teixeira, A. M. R.; Sasaki, J. M.; Mendes Filho, J.; Guedes, I.; Melo, F. E. A.

1999-02-01

We present Raman scattering results on LiK 1- x(NH 4) xSO 4 mixed crystal for temperatures between 100 and 300 K. We observed that in this temperature range the crystal undergoes two different phase transitions, which we call Bansal and Tomaszewski phase transitions. The introduction of ammonium ions in the potassium sites increases the C 66→C 3v4 (Bansal) phase transition temperature and decreases the Tomaszewski phase transition temperature. Finally, the most impressive effect of the presence of ammonium impurity in the LiKSO 4 structure is the decrease in the temperature hysteresis of Bansal phase transition and the almost complete destruction of hysteresis in the Tomaszewski phase transition, leading to a high temperature range of stability of the trigonal phase.

Selective Cytotoxicity of 1,3,4-Thiadiazolium Mesoionic Derivatives on Hepatocarcinoma Cells (HepG2)

PubMed Central

Valdameri, Glaucio; Rocha, Maria Eliane Merlin; Martinez, Glaucia Regina; Noleto, Guilhermina Rodrigues; Acco, Alexandra; Alves de Souza, Carlos Eduardo; Echevarria, Aurea; Moretto dos Reis, Camilla; Di Pietro, Attilio; Suter Correia Cadena, Sílvia Maria

2015-01-01

In this work, we evaluated the cytotoxicity of mesoionic 4-phenyl-5-(2-Y, 4-X or 4-X-cinnamoyl)-1,3,4-thiadiazolium-2-phenylamine chloride derivatives (MI-J: X=OH, Y=H; MI-D: X=NO2, Y=H; MI-4F: X=F, Y=H; MI-2,4diF: X=Y=F) on human hepatocellular carcinoma (HepG2), and non-tumor cells (rat hepatocytes) for comparison. MI-J, M-4F and MI-2,4diF reduced HepG2 viability by ~ 50% at 25 μM after 24-h treatment, whereas MI-D required a 50 μM concentration, as shown by 3-(4,5-dimethythiazol-2-yl)-2,5-diphenyltetrazolium bromide assays. The cytotoxicity was confirmed with lactate dehydrogenase assay, of which activity was increased by 55, 24 and 16% for MI-J, MI-4F and MI-2,4diF respectively (at 25 μM after 24 h). To identify the death pathway related to cytotoxicity, the HepG2 cells treated by mesoionic compounds were labeled with both annexin V and PI, and analyzed by flow cytometry. All compounds increased the number of doubly-stained cells at 25 μM after 24 h: by 76% for MI-J, 25% for MI-4F and MI-2,4diF, and 11% for MI-D. It was also verified that increased DNA fragmentation occurred upon MI-J, MI-4F and MI-2,4diF treatments (by 12%, 9% and 8%, respectively, at 25 μM after 24 h). These compounds were only weakly, or not at all, transported by the main multidrug transporters, P-glycoprotein, ABCG2 and MRP1, and were able to slightly inhibit their drug-transport activity. It may be concluded that 1,3,4-thiadiazolium compounds, especially the hydroxy derivative MI-J, constitute promising candidates for future investigations on in-vivo treatment of hepatocellular carcinoma. PMID:26083249

Synthesis and characterization of lithium aluminum-doped spinel (LiAl xMn 2- xO 4) for lithium secondary battery

NASA Astrophysics Data System (ADS)

Lee, Yun-Sung; Kumada, Naoki; Yoshio, Masaki

LiAl xMn 2- xO 4 has been synthesized using various aluminum starting materials, such as Al(NO 3) 3, Al(OH) 3, AlF 3 and Al 2O 3 at 600-800°C for 20 h in air or oxygen atmosphere. A melt-impregnation method was used to synthesize Al-doped spinel with good battery performance in this research. The Al-doped content and the intensity ratio of (3 1 1)/(4 0 0) peaks can be important parameters in synthesizing Al-doped spinel which satisfies the requirements of high discharge capacity and good cycleability at the same time. The decrease in Mn 3+ ion by Al substitution induces a high average oxidation state of Mn ion in the LiAl xMn 2- xO 4 material. The electrochemical behavior of all samples was studied in Li/LiPF 6-EC/DMC (1:2 by volume)/LiAl xMn 2- xO 4 cells. Especially, the initial and last discharge capacity of LiAl 0.09Mn 1.97O 4 using LiOH, Mn 3O 4 and Al(OH) 3 complex were 128.7 and 115.5 mAh/g after 100 cycles. The Al substitution in LiMn 2O 4 was an excellent method of enhancing the cycleability of stoichiometric spinel during electrochemical cycling.

Crystallographic and magnetic properties of sol-gel synthesized T xCo 1-xFe 2O 4 (T=Mn and Cr) thin films

NASA Astrophysics Data System (ADS)

Kim, Kwang Joo; Kyung Kim, Hee; Ran Park, Young; Choi, Seung-li; Eun Kim, Sung; Jung Lee, Hee; Yun Park, Jae; Jin Kim, Sam

Effects of Mn and Cr substitution for Co on crystallographic and magnetic properties of inverse-spinel CoFe 2O 4 thin films were investigated. The crystal structure of the samples remain cubic for x<1 with the lattice constant ( a0) increasing with x for Mn doping and remaining constant for Cr doping. Tetrahedral Fe 2+ ions were detected in Cr xCo 1-xFe 2O 4 by Mössbauer spectroscopy while no such ions existed in Mn xCo 1-xFe 2O 4. The appearance of the tetrahedral Fe 2+ ions can be explained in terms of the Cr 3+ substitution for the octahedral Co 2+ sites with the resultant charge imbalance being compensated by a reduction of the tetrahedral Fe 3+ into Fe 2+. The observed variation in a0 and magnetic properties can be partly explained in terms of Mn 2+ and Cr 3+ substitution of octahedral sites in Mn xCo 1-xFe 2O 4 and Cr xCo 1-xFe 2O 4, respectively.

Hydrothermal synthesis and crystal structure of alkaline earth metal (Mg, Ca) based on 2,5-Dimethylbenzene-1,4-diylbis(methylene) diphosphonic acid

NASA Astrophysics Data System (ADS)

Xie, Y. C.; Cheng, Q. R.; Pan, Z. Q.

2018-02-01

New magnesium phosphonates Mg(H2L)31 (H4L = 2,5-dimethylbenzene-1,4 -diylbis(methylene)diphosphonic acid) and Ca(H2L)·2H2O 2 have been hydrothermally synthesized from H4L and the corresponding metal salts. Complex 1 and 2 have been characterized by IR, powder and single-crystal X-ray diffraction methods. Complex 1 crystallizes in trigonal space group R-3c and complex 2 belongs to the triclinic space group. The complexes both form two-dimensional (2D) network structure and show three-dimensional (3D) network through hydrogen bonds. Thermal stability of complex 1 and 2 have also been investigated. CCDC: 1534599 for 1; 1536423 for 2.

Sr2Ir1 -xRhxO4(x <0.5 ) : An inhomogeneous jeff=1/2 Hubbard system

NASA Astrophysics Data System (ADS)

Chikara, Shalinee; Haskel, Daniel; Sim, Jae-Hoon; Kim, Heung-Sik; Chen, Cheng-Chien; Fabbris, G.; Veiga, L. S. I.; Souza-Neto, N. M.; Terzic, J.; Butrouna, K.; Cao, G.; Han, Myung Joon; van Veenendaal, Michel

2015-08-01

In a combined experimental and theoretical study, we investigate the properties of Sr2Ir1 -xRhxO4 . From the branching ratios of the L -edge isotropic x-ray absorption spectra, we determine that the spin-orbit coupling is remarkably independent of x for both iridium and rhodium sites. DFT+U calculations show that the doping is close to isoelectronic and introduces impurity bands of predominantly rhodium character close to the lower Hubbard band. Overlap of these two bands leads to metallic behavior. Since the low-energy states for x <0.5 have predominantly jeff=1/2 character, we suggest that the electronic properties of this material can be described by an inhomogeneous Hubbard model, where the on-site energies change due to local variations in the spin-orbit interaction strength combined with additional changes in binding energy.

Compositional dependence of magnetic anisotropy in chemically synthesized Co3- x Fe x O4 (0 ≤ x ≤ 2)

NASA Astrophysics Data System (ADS)

Hayashi, Kensuke; Yamada, Keisuke; Shima, Mutsuhiro

2018-01-01

Magnetic anisotropy of Co3- x Fe x O4 (CFO, 0 ≤ x ≤ 2) thin-film and powder samples prepared by a sol-gel method has been investigated as a function of Fe composition x. Structural analyses by X-ray diffraction show that CFO powder samples exhibit diffraction peaks associated with the spinel structure when x < 2, while CFO thin-film samples with thickness of 130-510 nm yield the peaks when 0 ≤ x ≤ 2. CFO thin-film samples are highly (111)-oriented with the Lotgering factor greater than 0.9 when 0.6 ≤ x ≤ 1.3. The magnetic anisotropy constant K 1 of CFO powder samples estimated from their room-temperature hysteresis loops yields a minimum when x = 0.9. Relatively large in-plane magnetic anisotropy (K eff = 5.7 × 105 erg/cm3) is observed for the CFO thin-film sample when x = 1.3. With increasing x, the magnetic easy axis of the spinel CFO changes from 〈111〉 to 〈100〉 when x = 0.9.

Structure symmetry determination and magnetic evolution in Sr 2Ir 1–xRh xO 4

DOE PAGES

Ye, Feng; Wang, Xiaoping; Hoffmann, Christina; ...

2015-11-23

We use single-crystal neutron diffraction to determine the crystal structure symmetry and to study the magnetic evolution in the rhodium doped iridates Sr 2Ir 1–xRh xO 4 (0 ≤ x ≤ 0.16). Throughout this doping range, the crystal structure retains a tetragonal symmetry (space group I4 1/a) with two distinct magnetic Ir sites in the unit cell forming staggered IrO 6 rotation. Upon Rh doping, the magnetic order is suppressed and the magnetic moment of Ir4+ is reduced from 0.21 μ B/Ir for x = 0 to 0.18 μ B/Ir for x = 0.12. As a result, the magnetic structuremore » at x = 0.12 is different from that of the parent compound while the moments remain in the basal plane.« less

Octanuclear Heterobimetallic {Ni4Ln4} Assemblies Possessing Ln4 Square Grid [2 × 2] Motifs: Synthesis, Structure, and Magnetism.

PubMed

Biswas, Sourav; Goura, Joydeb; Das, Sourav; Topping, Craig V; Brambleby, Jamie; Goddard, Paul A; Chandrasekhar, Vadapalli

2016-09-06

Octanuclear heterobimetallic complexes, [Ln4Ni4(H3L)4(μ3-OH)4(μ2-OH)4]4Cl·xH2O·yCHCl3 (Dy(3+), x = 30.6, y = 2 (1); Tb(3+), x = 28, y = 0 (2) ; Gd(3+), x = 25.3, y = 0 (3); Ho(3+), x = 30.6, y = 3 (4)) (H5L = N1,N3-bis(6-formyl-2-(hydroxymethyl)-4-methylphenol)diethylenetriamine) are reported. These are assembled by the cumulative coordination action of four doubly deprotonated compartmental ligands, [H3L](2-), along with eight exogenous -OH ligands. Within the core of these complexes, four Ln(3+)'s are distributed to the four corners of a perfect square grid while four Ni(2+)'s are projected away from the plane of the Ln4 unit. Each of the four Ni(2+)'s possesses distorted octahedral geometry while all of the Ln(3+)'s are crystallographically equivalent and are present in an elongated square antiprism geometry. The magnetic properties of compound 3 are dominated by an easy-plane single-ion anisotropy of the Ni(2+) ions [DNi = 6.7(7) K] and dipolar interactions between Gd(3+) centers. Detailed ac magnetometry reveals the presence of distinct temperature-dependent out-of-phase signals for compounds 1 and 2, indicative of slow magnetic relaxation. Magnetochemical analysis of complex 1 implies the 3d and the 4f metal ions are engaged in ferromagnetic interactions with SMM behavior, while dc magnetometry of compound 2 is suggestive of an antiferromagnetic Ni-Tb spin-exchange with slow magnetic relaxation due to a field-induced level crossing. Compound 4 exhibits an easy-plane single-ion anisotropy for the Ho(3+) ions and weak interactions between spin centers.