Science.gov

Sample records for actinomycin x2 production

  1. Characterization of Streptomyces MITKK-103, a newly isolated actinomycin X2-producer.

    PubMed

    Kurosawa, K; Bui, V P; VanEssendelft, J L; Willis, L B; Lessard, P A; Ghiviriga, I; Sambandan, T G; Rha, C K; Sinskey, A J

    2006-08-01

    A new actinomycete strain designated MITKK-103 was isolated from the soil of a flowerpot using a humic acid agar medium. The newly isolated strain was able to produce a large amount of actinomycin X2 even under nonoptimized growing conditions and serves as a promising source of this antibiotic. Actinomycin X2 has higher cytotoxicity toward cultured human leukemia (HL-60) cells than does actinomycin D, and it induces cell death via apoptosis. A nearly complete 16S ribosomal DNA (rDNA) sequence from the isolate was determined and found to have high identity (98.5-100%) with Streptomyces galbus, Streptomyces griseofuscus, and Streptomyces padanus, indicating that MITKK-103 belongs to the genus Streptomyces. The isolate clustered with species belonging to the S. padanus clade in a 16S-rDNA-based phylogenetic tree and showed 75% overall homology to S. padanus ATCC 25646 in DNA-DNA relatedness analysis. Although the growth of the isolate was somewhat different from the three species mentioned, the strain MITKK-103 most closely resembles S. padanus on the basis of the morphological and phenotypic characteristics, phylogenetic analysis, and genotypic data. As such, this is the first report of a strain of S. padanus capable of producing actinomycins.

  2. RNase III Is Required for Actinomycin Production in Streptomyces antibioticus

    PubMed Central

    Lee, Jung-Hoon; Gatewood, Marcha L.

    2013-01-01

    Using insertional mutagenesis, we have disrupted the RNase III gene, rnc, of the actinomycin-producing streptomycete, Streptomyces antibioticus. Disruption was verified by Southern blotting. The resulting strain grows more vigorously than its parent on actinomycin production medium but produces significantly lower levels of actinomycin. Complementation of the rnc disruption with the wild-type rnc gene from S. antibioticus restored actinomycin production to nearly wild-type levels. Western blotting experiments demonstrated that the disruptant did not produce full-length or truncated forms of RNase III. Thus, as is the case in Streptomyces coelicolor, RNase III is required for antibiotic production in S. antibioticus. No differences in the chemical half-lives of bulk mRNA were observed in a comparison of the S. antibioticus rnc mutant and its parental strain. PMID:23956389

  3. Characterization of Streptomyces padanus JAU4234, a Producer of Actinomycin X2, Fungichromin, and a New Polyene Macrolide Antibiotic

    PubMed Central

    Zhang, Zhi-Ping; Li, Jiang-Huai; Wei, Sai-Jin

    2012-01-01

    Strain JAU4234, identified as Streptomyces padanus, was isolated from soil collected in Jiangxi Province, China. It produced actinomycin X2, fungichromin, and a new polyene macrolide compound with antifungal activity, antifungalmycin 702. Antifungalmycin 702 had good general antifungal activity and may have potential future agricultural and/or clinical applications. PMID:22057866

  4. Production of actinomycin-D by the mutant of a new isolate of Streptomyces sindenensis

    PubMed Central

    Praveen, Vandana; Tripathi, C.K.M.; Bihari, Vinod; Srivastava, S.C.

    2008-01-01

    An actinomycin-D producing strain was isolated from soil and characterized as Streptomyces sindenensis. The culture was subjected to UV irradiation and a mutant with 400% higher actinomycin-D production was isolated (400 mg/l-1 as compared to 80 mg/l-1 produced by the parent). Production medium was optimized and antibiotic yield with the mutant was enhanced to 850 mg/l-1 which is 963% higher as compared with the parent. PMID:24031290

  5. Liposome-encapsulated actinomycin for cancer chemotherapy

    DOEpatents

    Rahman, Yueh-Erh; Cerny, Elizabeth A.

    1976-01-01

    An improved method is provided for chemotherapy of malignant tumors by injection of antitumor drugs. The antitumor drug is encapsulated within liposomes and the liposomes containing the encapsulated drug are injected into the body. The encapsulated drug penetrates into the tumor cells where the drug is slowly released and induces degeneration and death of the tumor cells, while any toxicity to the host body is reduced. Liposome encapsulation of actinomycin D has been found to be particularly effective in treating cancerous abdominal tumors, while drastically reducing the toxicity of actinomycin D to the host.

  6. Effect of actinomycin D and cycloheximide on replication of Sindbis virus in Aedes albopictus (mosquito) cells.

    PubMed Central

    Condreay, L D; Adams, R H; Edwards, J; Brown, D T

    1988-01-01

    Production of Sindbis virus in the presence of transcription and translation inhibitors was examined in three Aedes albopictus cell lines. Addition of cycloheximide to heat-resistant Sindbis virus (SVHR)-infected mosquito cells arrested viral RNA synthesis completely, in contrast to the effects of this drug on virus-infected vertebrate cells. Production of mature virus by both SVHR (a variant commonly used as a wild-type virus) and SBamr (a mutant which is resistant to the effects of 18 h of pretreatment of vertebrate cells with actinomycin D) in mosquito u4.4, C6-36, and C7-10 cells was inhibited by 2 h of pretreatment with actinomycin D. Pretreatment with this drug for 2 h slightly enhances virus production in vertebrate cells. Treatment of mosquito cells with actinomycin D resulted in shutoff of SVHR RNA synthesis. The mutant SBamr was able to overcome the effects of actinomycin D on viral RNA synthesis and produced both 26S and 49S RNAs, even though no viral structural proteins or mature particles were produced in the presence of the drug. This result suggests that, in the presence of actinomycin, the nonstructural genes of SBamr are translated sufficiently to allow for RNA synthesis but that 26S RNA may not be translated to an extent that allows significant virus production. These data demonstrate that host components are involved in at least two distinct steps in the production of Sindbis virus in mosquito cells: (i) production of viral RNA and (ii) synthesis of viral structural polypeptides. Images PMID:3392770

  7. Actinomycin synthesis in Streptomyces antibioticus: enzymatic conversion of 3-Hydroxyanthranilic acid to 4-methyl-3-hydroxyanthranilic acid

    SciTech Connect

    Jones, G.H.

    1987-12-01

    A methyltransferase with utilizes 3-hydroxyanthranilic acid (HAA) as a substrate was identified in detergent-treated extracts of the bacterium Streptomyces antibioticus. The enzyme catalyzes the transfer of methyl groups from (/sup 14/C)S-adenosylmethionine to HAA, but does not catalyze the methylation of 3-hydroxy-DL-kynurenine. Enzyme, substrate, time, and pH dependencies for the methyl transfer reaction were examined. Reaction products obtained from scaled-up reaction mixtures were fractionated by chromatography on Dowex 1, and the Dowex 1 fractions were examined by paper and thin-layer chromatography. One Dowex fraction was shown to contain a radioactive product with the chromatographic properties of 4-methyl-3-hydroxyanthranilic acid (MHA), a known intermediate in the biosynthesis of actinomycin. Available evidence indicates that the conversion of HAA to MHA is an early step in the biosynthesis of actinomycin by S. antibioticus and other actinomycin-producing streptomycetes.

  8. Differential Effects of Actinomycin D and Cordycepin in Lettuce Seed Germination and RNA Synthesis 1

    PubMed Central

    Tao, Kar-Ling; Khan, Anwar A.

    1976-01-01

    Intact lettuce seed germination was inhibited by cordycepin but not by actinomycin D; however, when seeds were clipped at the cotyledonary end, actinomycin D partially inhibited germination. Uptake studies with intact seeds using 3H-actinomycin D showed that it was unable to reach the embryo prior to radical protrusion. 3H-Cordycepin uptake studies using intact seeds showed that cordycepin was able to reach the embryo during the first 3 hours of incubation and at subsequent times. The pericarp and endosperm offered resistance to penetration of cordycepin into the embryo. In contrast to actinomycin D, cordycepin markedly inhibited 3H-uridine incorporation into RNA of intact seeds during the first 10 and 12 hours of incubation. About 60% of 3H-adenosine incorporation into poly A-RNA was inhibited by cordycepin during 12 hours of incubation, whereas actinomycin D had little effect. RNA synthesis appears to be essential for seed germination. PMID:16659763

  9. Tri-iodo thyronine regulates antioxidant enzyme activities in different cell fractions through a mechanism sensitive to actinomycin D in a teleost, Anabas testudineus (Bloch).

    PubMed

    Saumya, S M; Sreejith, P; Vijayasree, A S; Divya, L; Manju, M; Oommen, O V

    2006-08-01

    The present study evaluated the effects of hyperthyroid state on lipid peroxidation and antioxidant enzymes in the crude (CF), post nuclear (PNF) and mitochondrial fractions (MF) of the fish liver. The in vivo injection of T3 (200ng) did not change the lipid peroxidation products, malondialdehyde (MDA) and conjugated dienes (CD), while actinomycin D (10microg), a potent mRNA inhibitor when administered with T3 increased them. The antioxidant enzymes like superoxide dismutase (SOD) and catalase (CAT), glutathione peroxidase (GPx) and glutathione reductase (GR) had an increased activity in CF and MF of hyperthyroid group to compete the increased oxidative stress, but actinomycin D partially inhibited the T3-induced activity. SOD and CAT activities in PNF of hyperthyroid group had no change, the glutathione concentration varied depending on the GPx and GR activity. Hyperthyroidism decreased the protein content, while simultaneous administration of actinomycin D inhibited the T3 action of elevating the protein content. The results suggest that the antioxidant defense status in A. testudineus is modulated by thyroid hormone, through an action sensitive to actinomycin D.

  10. Abortive Infection of Bacillus subtilis Bacteriophage PBS1 in the Presence of Actinomycin D

    PubMed Central

    Pritikin, William B.; Reiter, Harvard

    1969-01-01

    Actinomycin D caused the irreversible loss of PBS1 phage infectious centers and PBS1-mediated transductants. The loss of infectious centers occurred only within the first 4 min after the addition of phage to cells. Actinomycin did not inactivate free phage or inhibit phage adsorption. Electron micrographs indicated that phage adsorbed to cells in the presence of actinomycin ejected their deoxyribonucleic acid (DNA) normally. However, when cells were infected in the presence of actinomycin, 15 to 22% of their 32P-labeled DNA appeared in the medium, whereas only 1.5 to 7.2% of the 32P-labeled DNA appeared in the medium during normal infection. Neither 8-azaguanine nor chloramphenicol caused a similar loss of PBS1 infectious centers or transductants. Actinomycin also caused the loss of SP10 infectious centers but it had no effect on SP01 or φ29 infections. We conclude that actinomycin causes abortion of PBS1 infection by inhibiting the uptake or retention of phage DNA into host cells. The immunity of SP01 and φ29 infections to actinomycin probably reflects differences in the penetration mechanisms of these phages. Images PMID:4978941

  11. Abortive infection of Bacillus subtilis bacteriophage PBS1 in the presence of actinomycin D.

    PubMed

    Pritikin, W B; Reiter, H

    1969-06-01

    Actinomycin D caused the irreversible loss of PBS1 phage infectious centers and PBS1-mediated transductants. The loss of infectious centers occurred only within the first 4 min after the addition of phage to cells. Actinomycin did not inactivate free phage or inhibit phage adsorption. Electron micrographs indicated that phage adsorbed to cells in the presence of actinomycin ejected their deoxyribonucleic acid (DNA) normally. However, when cells were infected in the presence of actinomycin, 15 to 22% of their (32)P-labeled DNA appeared in the medium, whereas only 1.5 to 7.2% of the (32)P-labeled DNA appeared in the medium during normal infection. Neither 8-azaguanine nor chloramphenicol caused a similar loss of PBS1 infectious centers or transductants. Actinomycin also caused the loss of SP10 infectious centers but it had no effect on SP01 or phi29 infections. We conclude that actinomycin causes abortion of PBS1 infection by inhibiting the uptake or retention of phage DNA into host cells. The immunity of SP01 and phi29 infections to actinomycin probably reflects differences in the penetration mechanisms of these phages.

  12. Historical perspective of the mineral production of Idaho, with comments on the Hailey 1 degree x 2 degrees quadrangle, Idaho

    USGS Publications Warehouse

    Bawiec, Walter J.; Dee, Lawrence L.

    2001-01-01

    Idaho has a long and diverse history of minerals exploration and production. A comprehensive look at this history, combined with documentation of the distribution and magnitude of past and present mineral production, can lead to a better understanding of the mineral endowment and potential resources. The total mineral production of Idaho (1905?1972), when examined as unit regional values and compared to the rest of the United States, shows that Idaho has produced above the median value of other States for both metals and precious materials, near the median value for nonmetals, and below the median value for construction materials and fuels. An examination of selected commodities within Idaho, by county, for a fifty-year period (1902?1951) shows the dominance of Shoshone County in total production within the State for silver, copper, lead, and zinc.

  13. Induction of surface antigen CD69 expression in T-lymphocytes following exposure to actinomycin D.

    PubMed

    Morgan, C D; Greene, J F; Measel, J W

    1999-10-01

    The expression of surface antigen CD69 in immune response cells is typically associated with the early stage(s) of cell activation, with maximal expression levels within 4 h of appropriate antigenic or mitogenic stimulation, and maintenance of these high expression levels for 18-24 h. The expression profiles of CD69 in human peripheral blood mononuclear cells (PBMC) cultured with actinomycin D prior to mitogenic stimulation were evaluated by direct immunofluorescence using flow cytometry. Pretreatment of PBMC suspensions with low, non-toxic levels of actinomycin D stimulated CD3+ T-lymphocytes to express CD69 in a concentration-dependent manner. Furthermore, CD4+ T-lymphocytes were the primary cells responding in this fashion. Secondary mitogenic stimulation following antibiotic treatment potentiated cellular CD69 expression in these assays. CD69 expression was profoundly suppressed with in vitro actinomycin D concentrations >/=1-2 microg/ml, presumably by interference with cellular transcription/translation mechanisms. Parallel thymidine incorporation assays indicated that actinomycin D effectively inhibited thymidine uptake in a concentration-dependent manner, with complete inhibition at >/=0.1 microg/ml. The evaluation of cell cycling dynamics following antibiotic treatment, with and without secondary mitogen stimulation, indicated no substantial changes in DNA synthesis over controls. The diversity of these responses suggests that expression of CD69 may not solely reflect mitogenic activation status but may, under some conditions, result from induced cellular stress.

  14. Extracellular ribonuclease formation in Bacillus subtilis and its stimulation by actinomycin D

    PubMed Central

    Coleman, G.; Elliott, W. H.

    1965-01-01

    1. Extracellular ribonuclease is produced linearly for at least 3hr. by washed post-logarithmic-phase cells of Bacillus subtilis suspended in a medium containing maltose (1%) and casein hydrolysate (0·5%). 2. Low concentrations of actinomycin D (less than 2μg./ml.) stimulate ribonuclease formation, the maximum effect being observed with a concentration of 1μg./ml. Concentrations greater than 2μg./ml. are inhibitory. There is no parallel stimulation of α-amylase formed under the same conditions, and [14C]uracil incorporation into a perchloric acid-insoluble form is inhibited. 3. The actinomycin D-induced stimulation is not due to the presence of an activator, nor is the inhibition due to the release of an inhibitor by the cells. The effect is on the amount of ribonuclease produced in the medium. 4. Extracellular ribonuclease formation is partially inhibited by anaerobiosis, 2,4-dinitrophenol, sodium azide and by chloramphenicol and puromycin. 5. High concentrations of antibiotic do not completely inhibit ribonuclease formation, but a basal amount of enzyme representing 20min. synthesis in an uninhibited system is always produced. This `antibiotic-insensitive' enzyme could possibly represent preformed enzyme `in the pipe-line' en route to secretion. 6. The stimulated appearance of ribonuclease in the presence of 1μg. of actinomycin D/ml. is shown to be dependent on enzyme synthesis. The mechanism of this effect is discussed. PMID:14342505

  15. Development of a physiologically based pharmacokinetic model of actinomycin D in children with cancer

    PubMed Central

    Walsh, Christopher; Bonner, Jennifer J.; Johnson, Trevor N.; Neuhoff, Sibylle; Ghazaly, Essam A.; Gribben, John G.; Boddy, Alan V.

    2016-01-01

    Aims Use of the anti‐tumour antibiotic actinomycin D is associated with development of hepatotoxicity, particularly in young children. A paucity of actinomycin D pharmacokinetic data make it challenging to develop a sound rationale for defining dosing regimens in younger patients. The study aim was to develop a physiologically based pharmacokinetic (PBPK) model using a combination of data from the literature and generated from experimental analyses. Methods Assays to determine actinomycin D Log P, blood:plasma partition ratio and ABCB1 kinetics were conducted. These data were combined with physiochemical properties sourced from the literature to generate a compound file for use within the modelling‐simulation software Simcyp (version 14 release 1). For simulation, information was taken from two datasets, one from 117 patients under the age of 21 and one from 20 patients aged 16–48. Results The final model incorporated clinical renal and biliary clearance data and an additional systemic clearance value. The mean AUC0‐26h of simulated subjects was within 1.25‐fold of the observed AUC0‐26h (84 ng h ml−1 simulated vs. 93 ng h ml−1 observed). For the younger age ranges, AUC predictions were within two‐fold of observed values, with simulated data from six of the eight age/dose ranges falling within 15% of observed data. Simulated values for actinomycin D AUC0‐26h and clearance in infants aged 0–12 months ranged from 104 to 115 ng h ml−1 and 3.5–3.8 l h−1, respectively. Conclusions The model has potential utility for prediction of actinomycin D exposure in younger patients and may help guide future dosing. However, additional independent data from neonates and infants is needed for further validation. Physiological differences between paediatric cancer patients and healthy children also need to be further characterized and incorporated into PBPK models. PMID:26727248

  16. Early estrogen-induced metabolic changes and their inhibition by actinomycin D and cycloheximide in human breast cancer cells: sup 31 P and sup 13 C NMR studies

    SciTech Connect

    Neeman, M.; Degani, H. )

    1989-07-01

    Metabolic changes following estrogen stimulation and the inhibition of these changes in the presence of actinomycin D and cycloheximide were monitored continuously in perfused human breast cancer T47D clone 11 cells with {sup 31}P and {sup 13}C NMR techniques. The experiments were performed by estrogen rescue of tamoxifen-treated cells. Immediately after perfusion with estrogen-containing medium, a continuous enhancement in the rates of glucose consumption, lactate production by glycolysis, and glutamate synthesis by the Krebs cycle occurred with a persistent 2-fold increase at 4 hr. Pretreatment with either actinomycin D or cycloheximide, at concentrations known to inhibit mRNA and protein synthesis, respectively, and simultaneous treatment with estrogen and each inhibitor prevented the estrogen-induced changes in glucose metabolism. This suggested that the observed estrogen stimulation required synthesis of mRNA and protein. These inhibitors also modulated several metabolic activities that were not related to estrogen stimulation. The observed changes in the in vivo kinetics of glucose metabolism may provide a means for the early detection of the response of human breast cancer cells to estrogen versus tamoxifen treatment.

  17. Inhibition of unwinding and ATPase activities of pea MCM6 DNA helicase by actinomycin and nogalamycin.

    PubMed

    Tran, Ngoc Quang; Pham, Xuan Hoi; Tuteja, Renu; Tuteja, Narendra

    2011-03-01

    Pea mini-chromosome maintenance 6 (MCM6) single subunit (93 kDa) forms homohexamer (560 kDa) and contains an ATP-dependent and replication fork stimulated 3' to 5' DNA unwinding activity along with intrinsic DNA-dependent ATPase and ATP-binding activities [Plant Mol. Biol. 2010; DOI: 10.1007/s11103-010-9675-7]. Here, we have determined the effect of various DNA-binding agents, such as actinomycin, nogalamycin, daunorubicin, doxorubicin, distamycin, camptothecin, cyclophosphamide, ellipticine, VP-16, novobiocin, netropsin, cisplatin, mitoxantrone and genistein on the DNA unwinding and ATPase activities of the pea MCM6 DNA helicase. The results show that actinomycin and nogalamycin inhibited the DNA helicase (apparent Ki values of 10 and 1 μM, respectively) and ATPase (apparent Ki values of 100 and 17 μM, respectively) activities. Although, daunorubicin and doxorubicin also inhibited the DNA helicase activity of pea MCM6, but with less efficiency; however, these could not inhibit the ATPase activity. These results suggest that the intercalation of the inhibitors into duplex DNA generates a complex that impedes translocation of MCM6, resulting in the inhibitions of the activities. This study could be useful in our better understanding of the mechanism of plant nuclear DNA helicase unwinding.

  18. A comparative study of the effect of aflatoxin B1 and actinomycin D on HeLa cells

    PubMed Central

    Harley, E. H.; Rees, K. R.; Cohen, A.

    1969-01-01

    1. The cytotoxic effects of aflatoxin B1 on HeLa cells were examined and effects of short exposures of the cells to the toxin were found to be reversible. 2. Aflatoxin B1 inhibited the synthesis of both ribosomal and heterodisperse RNA. It is proposed that the toxin's mechanism of action on ribosomal RNA synthesis is related to its inhibitory effect on the maturation of the 45s-ribosomal-RNA precursor. 3. Protein synthesis is inhibited to a greater extent by aflatoxin B1 than by actinomycin D. In contrast with actinomycin D, aflatoxin B1 was shown to disaggregate polyribosomes directly. ImagesPLATE 1PLATE 2 PMID:4897460

  19. The effects of cortisoland actinomycin D injections on choloride cells and branchial N+---K+-ATPase in rainbow trout (Salmo gairdneri)

    USGS Publications Warehouse

    Eib, D.W.; Hossner, K.L.

    1985-01-01

    Injections of cortisol, actinomycin D, or combined administration of the hormone and the antiobiotic did not effect rainbow trout (Salmo gairdneri) branchial Na+K+-ATPase activity. Numbers of chloride cells also did not change following cortisol and actinomycin D treatment. These results are discussed in light of a similar report concerning Atlantic salmon (Salmo salar).

  20. X-2 on Transportation Dolly

    NASA Technical Reports Server (NTRS)

    1952-01-01

    This 1952 photograph shows the X-2 #2 aircraft mounted on a special transportation dolly at Edwards Air Force Base, California. The dolly was steerable and was used for transporting the X-2 around and for towing it off the lakebed at Edwards Air Force Base after a landing. This was the number 2 airplane (46-675), which was lost on May 12, 1953, on a captive flight over Lake Ontario when the airplane exploded during a liquid-oxygen topoff test, killing the pilot, Jean Ziegler, and EB-50A crewman Frank Wolko. Almost no debris was recovered from Lake Ontario, so no cause for the explosion could be determined. Later, however, investigations of similar explosions in the X-1 #3, X-1A, and X-1D traced the problem to Ulmer leather gaskets, which exuded tricresyl phosphate. This substance caused detonations in the supercold atmosphere of the airplanes' liquid oxygen tanks. As the X-2 #2 also had these gaskets, they were probably the cause of the explosion in that aircraft as well. The X-2 was a swept-wing, rocket-powered aircraft designed to fly faster than Mach 3 (three times the speed of sound). It was built for the U.S. Air Force by the Bell Aircraft Company, Buffalo, New York. The X-2 was flown to investigate the problems of aerodynamic heating as well as stability and control effectiveness at high altitudes and high speeds (in excess of Mach 3). Bell aircraft built two X-2 aircraft. These were constructed of K-monel (a copper and nickel alloy) for the fuselage and stainless steel for the swept wings and control surfaces. The aircraft had ejectable nose capsules instead of ejection seats because the development of ejection seats had not reached maturity at the time the X-2 was conceived. The X-2 ejection canopy was successfully tested using a German V-2 rocket. The X-2 used a skid-type landing gear to make room for more fuel. The airplane was air launched from a modified Boeing B-50 Superfortress Bomber. X-2 Number 1 made its first unpowered glide flight on Aug. 5, 1954

  1. DETECTION OF DNA BY TRITIATED ACTINOMYCIN D ON ULTRATHIN FROZEN SECTIONS

    PubMed Central

    Bernier, Roch; Iglesias, Roberto; Simard, René

    1972-01-01

    Ultrathin frozen sections of fresh liver tissue were floated on actinomycin D-3H. Quantitative high resolution radioautography was performed to determine the value of the method for detection of DNA by electron microscopy. A complete series of control experiments involving various treatments of frozen sections with enzymes (pronase, DNase) and 0.1 N HCl were also carried out to determine the specificity of the labeling. The results indicate the value of the method for detection of DNA directly on ultrathin frozen sections. Short treatments with pronase followed by DNase reduce the labeling to zero, whereas removal of chromosomal proteins with HCl increases the amount of radioactivity in the nucleus considerably. The results are discussed in view of the future applications opened by ultracryotomy, since radioautographic detection of various macromolecules and cellular components by labeled compound with specific affinities will now be possible. PMID:4554990

  2. Valentines Day X2 Flare

    NASA Video Gallery

    Active region 1158 let loose with an X2.2 flare at 0153 UT or 8:50 pm ET on February 15, 2011, the largest flare since Dec. 2006 and the biggest flare so far in Solar Cycle 24. This video was taken...

  3. Collisional quenching of OD A 2Σ+ by H2: experimental and theoretical studies of the state-resolved OD X 2Π product distribution and branching fraction.

    PubMed

    Lehman, Julia H; Dempsey, Logan P; Lester, Marsha I; Fu, Bina; Kamarchik, Eugene; Bowman, Joel M

    2010-10-28

    We report joint experimental and theoretical studies of outcomes resulting from the nonreactive quenching of electronically excited OD A  (2)Σ(+) by H(2). The experiments utilize a pump-probe technique to detect the OD X  (2)Π product state distribution under single collision conditions. The OD X  (2)Π products are observed primarily in their lowest vibrational state (v(") = 0) with substantially less population in v(") = 1. The OD X  (2)Π products are generated with a high degree of rotational excitation, peaking at N(") = 21 with an average rotational energy of 4600 cm(-1), and a strong propensity for populating the Π(A(')) Λ-doublet component indicative of alignment of the half-filled pπ orbital in the plane of OD rotation. Branching fraction measurements show that the nonreactive channel accounts for less than 20% of quenching outcomes. Complementary classical trajectory calculations of the postquenching dynamics are initiated from representative points along seams of conical intersections between the ground and excited-state potentials of OD(A  (2)Σ(+),X  (2)Π) + H(2). Diabatic modeling of the initial momenta in the dynamical calculations captures the key experimental trends: OD X  (2)Π products released primarily in their ground vibrational state with extensive rotational excitation and a branching ratio that strongly favors reactive quenching. The OD A  (2)Σ(+) + H(2) results are also compared with previous studies on the quenching of OH A  (2)Σ(+) + H(2); the two experimental studies show remarkably similar rotational energy distributions for the OH and OD X  (2)Π radical products.

  4. Induction of the bystander effect in Chinese hamster V79 cells by actinomycin D.

    PubMed

    Jin, Cuihong; Wu, Shengwen; Lu, Xiaobo; Liu, Qiufang; Qi, Ming; Lu, Shuai; Xi, Qi; Cai, Yuan

    2011-05-10

    Bystander effect (BE) can be induced by ionizing radiation and chemicals, including alkylating agents. Ionizing radiation mostly induces the bystander effect by causing double-strand DNA breakage in the exposed cells. However, the chemical-induced bystander effect is poorly studied. Here we chose actinomycin D (ACTD), a genotoxic chemotherapeutic drug, to investigate whether it could cause bystander effect in Chinese hamster V79 cells. Results are that (1) ACTD induced apoptosis in V79 cells and an optimal apoptosis model in V79 cells was established with ACTD (4 mg/L, 1h); (2) using apoptosis rate, chromosome aberration, and ultrastructure changes as endpoints of bystander effect, ACTD could induce bystander effect in V79 cells; (3) as in the exposed cells, ACTD mainly induced apoptosis in bystander V79 cells cultured in different period conditioned medium; (4) the strongest bystander effect was induced by 4 h conditioned medium collected from cells treated with ACTD. It suggests that ACTD could cause BE through the medium soluble factors excreted from exposed cells during apoptosis and ACTD-induced BE was a novel quantitative and kinetic response.

  5. The effect of fasting, diet, and actinomycin D on insulin secretion in the rat

    PubMed Central

    Grey, N. J.; Goldring, S.; Kipnis, D. M.

    1970-01-01

    The present studies were performed to elucidate the mechanisms responsible for the impairment of glucose-stimulated insulin secretion observed in fasting. Rats fasted for 48 hr displayed marked impairment in their insulin secretory response to both oral and intravenous glucose. Glucose-stimulated insulin secretion was restored within 24 hr by refeeding; actinomycin D given before refeeding blocked the expected return of normal glucose-stimulated insulin secretion despite adequate food intake. Fasted rats refed a diet devoid of carbohydrate failed to display a return of normal insulin secretory responsiveness to oral glucose in contrast to rats fed isocalorically a high carbohydrate diet. Differences in insulin secretion in fed, fasted, and fasted-refed rats could not be attributed to changes in pancreatic insulin content. There was no significant difference in the insulin secretory response to aminophylline of fed, fasted, or fasted-refed rats. The intermittent pulsing of fasted rats with hyperglycemic episodes by the injection of small amounts of glucose (500 mg) intraperitoneally every 8 hr ameliorated the impairment of glucose-stimulated insulin secretion characteristic of the fasting state. These results suggest that the impairment of glucose-stimulated insulin secretion during fasting and its restoration by refeeding are regulated by changes in a glucose-inducible enzyme system in the pancreatic beta cell. PMID:5441542

  6. Regulation of Actinomycin D induced upregulation of Mdm2 in H1299 cells.

    PubMed

    Li, Lianjie; Cui, Di; Zheng, Shijun J; Lou, Huiqiang; Tang, Jun

    2012-02-01

    Mdm2 is a critical negative regulator of the p53 tumor suppressor and also has many p53-independent functions. Deregulation of Mdm2 is closely associated with tumorigenesis. However, how Mdm2 is regulated in response to various stresses is not well understood. In this study, we found that Mdm2 was stabilized and upregulated upon Actinomycin D (ActD) treatment in the p53-deficient H1299 cell line. This Mdm2 upregulation was not dependent on the ribosomal protein L11, an essential player in ribosomal stress-induced p53 activation, but did require a NEDDylation-dependent mechanism. We further demonstrated that the ActD-induced Mdm2 stabilization may be modulated by the cell growth signaling, and that knockdown of Mdm2 enhanced ActD-induced cell death in H1299 cells. These results suggested a role of Mdm2 in the ribosomal stress response in the p53 deficient cells, which could be exploited in therapeutic use for treating cancers harboring p53 mutations.

  7. Actinomycin D enhances killing of cancer cells by immunotoxin RG7787 through activation of the extrinsic pathway of apoptosis

    PubMed Central

    Liu, Xiu Fen; Xiang, Laiman; Zhou, Qi; Carralot, Jean-Philippe; Prunotto, Marco; Niederfellner, Gerhard; Pastan, Ira

    2016-01-01

    RG7787 is a mesothelin-targeted immunotoxin designed to have low-immunogenicity, high-cytotoxic activity and fewer side effects. RG7787 kills many types of mesothelin-expressing cancer cells lines and causes tumor regressions in mice. Safety and immunogenicity of RG7787 is now being assessed in a phase I trial. To enhance the antitumor activity of RG7787, we screened for clinically used drugs that can synergize with RG7787. Actinomycin D is a potent transcription inhibitor that is used for treating several cancers. We report here that actinomycin D and RG7787 act synergistically to kill many mesothelin-positive cancer cell lines and produce major regressions of pancreatic and stomach cancer xenografts. Analyses of RNA expression show that RG7787 or actinomycin D alone and together increase levels of TNF/TNFR family members and NF-κB–regulated genes. Western blots revealed the combination changed apoptotic protein levels and enhanced cleavage of Caspases and PARP. PMID:27601652

  8. [Ni(PPh2NC6H4X2)2]2+ Complexes as Electrocatalysts for H2 Production: Effect of Substituents, Acids, and Water on Catalytic Rates

    SciTech Connect

    Kilgore, Uriah J.; Roberts, John A.; Pool, Douglas H.; Appel, Aaron M.; Stewart, Michael P.; Rakowski DuBois, Mary; Dougherty, William G.; Kassel, W. S.; Bullock, R. Morris; DuBois, Daniel L.

    2011-04-20

    A series of mononuclear nickel(II) bis(diphosphine) complexes [Ni(PPh2NPhX2)2](BF4)2 (PPh2NPhX2 = 1,5-di(para¬-X-phenyl)-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane; X = OMe, Me, CH2P(O)(OEt)2, Br, and CF3) have been synthesized and characterized. X-ray diffraction studies reveal that [Ni(PPh2NPhMe2)2](BF4)2 and [Ni(PPh2NPhOMe2)2](BF4)2 are tetracoordinate with distorted square planar geometries. The Ni(II/I) and Ni(I/0) redox couples of each complex are electrochemically reversible in acetonitrile (0.2 M tetraethylammonium tetrafluoroborate) with potentials that are increasingly cathodic as the electron-donating character of X is increased. All of these complexes are efficient electrocatalysts for hydrogen production, with rates generally increasing as the electron-donating character of X is decreased. Catalytic studies using 2,6-dichloroanilinium triflate (2,6-Cl2AnH+OTf , pKaMeCN = 5.0) 4-cyanoanilinium tetrafluoroborate (4-CNAnH+OTf , pKaMeCN = 7.0) and protonated dimethylformamide ([(DMF)H]+OTf , pKaMeCN = 6.1) reveal that turnover frequencies do not correlate with substrate acid pKa values, but are highly dependent on the acid structure, with this effect being related to substrate size. Addition of water is shown to dramatically increase catalytic rates for all catalysts. With [Ni(PPh2NPhCH2P(O)(OEt)22)2](BF4)2 using [(DMF)H]+OTf as acid and with added water, a turnover frequency of 1850 s-1 was obtained. This work was supported by the US Department of Energy Basic Energy Sciences' Chemical Sciences, Geosciences & Biosciences Division. Pacific Northwest National Laboratory is operated by Battelle for the US Department of Energy.

  9. Induction of fetal rat enterokinase (enteropeptidase EC. 3.4.21.9) in utero by hydrocortisone and actinomycin D.

    PubMed

    Lebenthal, E

    1977-04-01

    Enterokinase activity is first detected in the small intestine of the rat at the 20th day of gestation, whereas sucrase activity first appears in the 14th day of postnatal life. Intraperitoneal injection of hydrocortisone to pregnant rats before the normal appearance of enterokinase in fetuses causes the premature appearance of enterokinase (58 +/- 8 units), but not of sucrase activity. The addition of actinomycin D in the pregnant rat results in supermaximal stimulation of enterokinase activity (229 +/- 25 units). Sucrase activity is stimulated by hydrocortisone when given in the first 3 days of life (118 +/- 0.04 units). The maximal induction occurs 2 days before the normal appearance of the enzyme in untreated animals (7.3 +/- 12 units). The addition of actinomycin D diminished the effect of hydrocortisone on sucrase activity in the neonatal rat (1.4 +/- 2 units versus 1.8 +/- 0.4 units in 3-day-old rats). Thus, enterokinase and sucrase of the small intestine of the fetal and infant rat respond differently to combined hydrocortisone and actinomycin D. The response to hydrocortisone is age dependent and the maximal induction occurs before the time of the natural appearance of the enzymes. No effect is elicited after the normal appearance of enterokinase or sucrase. Glucocoticoids stimulate an early appearance of small intestinal enzymes only before the expected time of the natural development burst of activity. In both, sucrase and enterokinase, glucocorticoids have no effect after the enzymes are fully developed. New enzymes develop in clusters during the late fetal, neonatal, and late sucking periods. The effect of glucocorticoids on the "maturation" of the small intestine is limited to the induction of one phase only; i.e., only before the late fetal period is the precocious appearance of enterokinase possible. The induction of enterokinase activity can serve as an indicator for the early phase of maturation. Whereas the induction of sucrase activity can serve

  10. [1H NMR analysis of the complex formation of aromatic molecules of antibiotic and vitamin in aqueous solution: heteroassociation of actinomycin D and flavin mononucleotide].

    PubMed

    Veselkov, A N; Evstigneev, M P; Rozvadovskaia, A O; Mukhina, Iu V; Rybakova, K A

    2005-01-01

    The molecular mechanism of the combined action of antibiotic and vitamin was studied by NMR spectroscopy. The heteroassociation of the antitumor antibiotic actinomycin D and flavin mononucleotide was investigated as a function of concentration and temperature by 500 MHz 1H NMR spectroscopy. The equilibrium association constant, the thermodynamic parameters (deltaH, deltaS) of heteroassociation of actinomycin D with flavin mononucleotide, and the limiting values of proton chemical shifts in the heterocomplex were determined from the concentration and temperature dependences of proton chemical shifts of molecules. The most favorable structure of the 1:1 actinomycin D-flavin mononucleotide heteroassociation complex was determined using both the molecular mechanics methods (X-PLOR software) and the limiting values of proton chemical shifts of the molecules. In the calculated structure, the planes of the chromophores of actinomycin D and flavin mononucleotide molecules in the 1:1 heterocomplex are parallel and separated from each other by a distance of about 0.34 nm. At the same time, there is a probability of formation of intermolecular hydrogen bonds in the calculated structure of 1:1 actinomycin D-flavin mononucleotide complex. The analysis of the results obtained suggests that aromatic molecules of vitamins, e.g., flavin mononucleotide, can form energetically favorable heterocomplexes with aromatic antitumor antibiotics in aqueous solution, modulating thereby the efficacy of their medical and biological action.

  11. X-2 launch from B-50 mothership

    NASA Technical Reports Server (NTRS)

    1950-01-01

    The X-2 was a swept-wing aircraft designed to fly three times as fast as the speed of sound. It was flown to investigate the problems of aerodynamic heating and stability and control effectiveness at high speeds and altitudes. The X-2 was a single-place airplane with wings swept back to 40 degrees. It was 37 ft., 10 in. long, 11 ft. high and had a wingspan of 32.3 ft. It wasc onstructed primarily of steel (K-monel) and incorporated a skid-type main landing gear to make more room for fuel. It had an ejectable nose capsule. The X-2 was powered by an XLR25-CW-3 two-chambered rocket engine. The Curtiss-Wright-manufactured engine was throttleable and had a thrust of from 2,500 to 15,000 lbs. Two X-2s were made for NACA and the Air Force by Bell Aircraft Co. They were air launched from a B-50 carrier aircraft. After one X-2 (no. 2 aircraft) was destroyed in an explosion on a captive flight before ever making any powered flights, the other X-2 (no. 1 aircraft) went on to perform as predicted including making a flight on Sept.7, 1956, with Air Force Captain Iven Kincheloe at the controls to an altitude of 126,200 ft. Twenty days later the X-2 program ended when Air Force Captain Milburn Apt piloted the X-2 to its highest speed of 2,094 mph(over three times the speed of sound) before it went out of control and crashed. Captain Apt was fatally injured in the crash. This 27-second video clip shows the launch of the X-2 from its B-50 mothership, ignition of its rocket engine, and flight. At the end of the clip, observers on the ground appear looking up at the X-2.

  12. Students Learn About SpaceX-2

    NASA Video Gallery

    From NASA's International Space Station Mission Control Center, Dorrie Tomayko, SpaceX-2 lead visiting vehicle officer, participates in a Digital Learning Network (DLN) event with students at Salt ...

  13. Photoaffinity approaches to determining the sequence selectivities of DNA-small molecule interactions: actinomycin D and ethidium.

    PubMed Central

    Marsch, G A; Graves, D E; Rill, R L

    1995-01-01

    The DNA photoaffinity ligands, 7-azidoactinomycin D and 8-azidoethidium, form DNA adducts that cause chain cleavage upon treatment with piperidine. Chemical DNA sequencing techniques were used to detect covalent binding. The relative preferences for modifications of all possible sites defined by a base pair step (e.g. GC) were determined within all quartet contexts such as (IGCJ). These preferences are described in terms of 'effective site occupations', which express the ability of a ligand to covalently modify some base in the binding site. Ideally, the effective site occupations measured for photoaffinity agents can also be related to site-specific, non-covalent association constants of the ligand. The sites most reactive with 7-azidoactinomycin D were those preferred for non-covalent binding of unsubstituted actinomycin D. GC sites were most reactive, but next-nearest neighbors exerted significant influences on reactivity. GC sites in 5'-(pyrimidine)GC(purine)-3' contexts, particularly TGCA, were most reactive, while reactivity was strongly suppressed for GC sites with a 5'-flanking G, or a 3'-flanking C. High reactivities were also observed for bases in the first (5') GG steps in TGGT, TGGG and TGGGT sequences recently shown to bind actinomycin D with high affinity. Pyrimidine-3',5'-purine steps and GG steps flanked by a T were most preferred by 8-azidoethidium, in agreement with the behavior of unsubstituted ethidium. The good correspondence between expected and observed covalent binding preferences of these two azide analogs demonstrates that photoaffinity labeling can identify highly preferred sites of non-covalent DNA binding by small molecules. PMID:7739904

  14. Terahertz Spectroscopy of CaH (X^{2}Σ^{+}), MgH (X^{2}Σ^{+}), and ZnH (X^{2}Σ^{+}) : Extreme Hydride Synthesis

    NASA Astrophysics Data System (ADS)

    Bucchino, Matthew P.; Ziurys, Lucy M.

    2013-06-01

    Sub-millimeter spectra of CaH (X^{2}Σ^{+}), MgH (X^{2}Σ^{+}), and ZnH (X^{2}Σ^{+}) have been measured in the sub-mm{/}THz regime (500{-805} GHz) using direct{-absorption} methods. All species were produced by the reaction of metal vapor with H_{2} under DC discharge in a Broida-type oven. Because of efficient molecule production, spectra of ^{26}MgH, ^{66}ZnH, ^{68}ZnH and ^{70}ZnH could be recorded in their natural abundance as well, with high signal-to-noise. Additionally, the N = 0 {→} 1 and N = 1 {→} 2 transitions of ^{25}MgH and ^{67}ZnH were measured. Fermi contact, dipolar, and quadrupole constants for the ^{25}Mg and ^{67}Zn nuclei have been accurately determined for the first time in the gas phase, and are in good agreement with previous ESR studies. The hyperfine constants suggest a substantial amount of covalent character is present in metal hydrides.

  15. A 3 x 2 Achievement Goal Model

    ERIC Educational Resources Information Center

    Elliot, Andrew J.; Murayama, Kou; Pekrun, Reinhard

    2011-01-01

    In the present research, a 3 x 2 model of achievement goals is proposed and tested. The model is rooted in the definition and valence components of competence, and encompasses 6 goal constructs: task-approach, task-avoidance, self-approach, self-avoidance, other-approach, and other-avoidance. The results from 2 studies provided strong support for…

  16. Antifungal properties of an actinomycin D-producing strain, Streptomyces sp. IA1, isolated from a Saharan soil.

    PubMed

    Toumatia, Omrane; Yekkour, Amine; Goudjal, Yacine; Riba, Amar; Coppel, Yannick; Mathieu, Florence; Sabaou, Nasserdine; Zitouni, Abdelghani

    2015-02-01

    An actinomycete strain named IA1, which produced an antimicrobial compound, was isolated from a Saharan soil in In Amenas, Algeria. The study of the 16S rDNA sequence of this strain permitted to relate it to Streptomyces mutabilis NBRC 12800(T) (99.93% of similarity). Strain IA1 exhibited strong activity against a wide range of plant pathogenic fungi. One bioactive compound produced in large amounts (46.7 mg L(-1)  day(-1) ), named YA, was isolated and purified by TLC and reverse phase HPLC. The structure elucidation of the pure substance, using combined data from UV visible, NMR spectra, and mass spectrometry, permitted to identify it as actinomycin D, and was thus found for the first time in S. mutabilis related species. The biocontrol abilities of the strain IA1 and compound YA were evaluated through two diseases, i.e., chocolate spot of field bean and Fusarium wilt of flax. The occurrence of the two fungal diseases was effectively reduced. The reduction of chocolate spot disease symptoms reached 80 and 91.7% with IA1 and YA seedlings pretreatments, respectively. Soil pretreatment with IA1 or YA also allowed to reduce Fusarium wilt disease impact by almost 60%.

  17. The efficacy and adverse event profile of dexamethasone, melphalan, actinomycin D, and cytosine arabinoside (DMAC) chemotherapy in relapsed canine lymphoma

    PubMed Central

    Parsons-Doherty, Melissa; Poirier, Valerie J.; Monteith, Gabrielle

    2014-01-01

    In this retrospective study, a chemotherapy protocol using dexamethasone, melphalan, actinomycin D, and cytosine arabinoside (DMAC) was evaluated for efficacy and adverse event profile as a first line rescue protocol in 86 client-owned dogs previously treated with a CHOP-based protocol. Forty-three dogs (43%) achieved remission (16% complete remission, 27% partial remission), and 57% were non-responders. The median overall progression-free survival (PFS) was 24 days. Adverse events included thrombocytopenia in 41% of dogs, neutropenia in 17% of dogs, and gastrointestinal toxicity in 13% of dogs. Overall, 16% (13/79) dogs experienced grade III to IV thrombocytopenia, 8% (6/74) dogs grade III to IV neutropenia and 1% (1/79) dogs grade III to IV gastrointestinal toxicity. The efficacy of the DMAC protocol is similar to that of other rescue protocols in dogs with relapsed lymphoma but is associated with shorter PFS. The main toxicity is thrombocytopenia, which may limit treatment. PMID:24489398

  18. Actinomycin D binds strongly to d(TGTCATTG), a single-stranded DNA devoid of GpC sites.

    PubMed

    Chen, F M; Sha, F

    2001-05-01

    Despite the absence of the GpC sequence and complete self-complementarity, d(CGTCGTCG) has recently been shown to bind strongly to actinomycin D (ACTD) with a binding density of about one drug molecule per strand. To further elucidate the nature of such a binding, studies are herein made with single-base G --> A and C --> T replacements in d(CGTCGTCG) to identify the DNA bases that play important roles in the strong ACTD binding of this oligomer. On the basis of these results, the octamer d(TGTCATTG) has been identified as a potentially strong ACTD binder. Indeed, binding titration confirms such an expectation and reveals an ACTD binding constant of about 1 x 10(7) M(-1) and a binding density of roughly 0.8 drug molecule per DNA strand for this strong binding mode. Similar binding studies with single-base substitutions on d(TGTCATTG) further reveal the relative importance of the C and G bases on its ACTD binding, with the 3'-terminus G appearing to be the most crucial base. Further base substitutions lead to the conclusion that these C and G bases act in concert rather than individually in the ACTD binding of d(TGTCATTG). Spectral comparisons with the apparently single-stranded GpC-containing d(TGCTTTG) led to the proposal of a speculated monomeric hairpin binding model to account for the experimental observations. This model makes use of the notion that ACTD prefers to have the 3'-sides of both G bases stacking on the opposite faces of its planar phenoxazone chromophore, a principle akin to its classic preference for the GpC sequence in duplex form. The finding that ACTD can bind strongly to single-stranded DNA of special sequence motifs may have important implications.

  19. Inhibition of microRNA-14 contributes to actinomycin-D-induced apoptosis in the Sf9 insect cell line.

    PubMed

    Kumarswamy, Regalla; Chandna, Sudhir

    2010-08-01

    Actinomycin-D (Act-D) and other inhibitors of RNA synthesis induce extensive and rapid apoptosis in the lepidopteran insect cells. Interestingly, a similar effect is not observed in the case of protein synthesis shutdown, implying that certain RNA species may be critically required for cell survival. In order to assess whether depletion of certain anti-apoptotic microRNAs may result in insect cell apoptosis induced by these transcriptional inhibitors, we inhibited two antiapoptotic microRNAs, viz. bantam and miR-14 (microRNA-14), with known functions in insect systems, by transfecting lepidopteran Sf9 cell line (derived from Spodoptera frugiperda) with sequence-specific inhibitory anti-miRs. Our results indicate that miR-14 is indeed required for constitutive cell survival as its inhibition caused considerable apoptosis. Importantly, exogenous supplementation with the mimics of miR-14 precursor molecules could partially inhibit the Act-D-induced Sf9 cell death. Further, our results indicate that miR-14 may function downstream of mitochondrial cytochrome c release in preventing Act-D-induced apoptosis, implying possible inhibitory interactions with caspases as reported previously in other organisms. While the microRNA species are known to regulate cell death in Drosophila, which belongs the insect order Diptera, the present study demonstrates a definitive antiapoptotic role of miR-14 in lepidopteran apoptosis as well. Our study also indicates that additional microRNA species may be regulating lepidopteran cell survival and death, thus warranting further in-depth investigations into these important mechanisms of cell death. Since lepidopteran cells are an excellent model for general stress resistance, this study presents important information about their stress response mechanisms.

  20. Hydroxyl X2Pi pure rotational transitions

    NASA Technical Reports Server (NTRS)

    Goorvitch, D.; Goldman, A.; Dothe, Hoang; Tipping, R. H.; Chackerian, C., Jr.

    1992-01-01

    We present a list of frequencies, term values, Einstein A values, and assignments for the pure rotational transitions of the X2Pi state of the OH molecule. This list includes transitions from 3 to 2015/cm for Delta-v = 0, v-double-prime = 0-4, and J-double-prime = 0.5-49.5. The A values were computed using recent advances in calculating wave functions for a coupled system and an experimentally derived electric dipole moment function (Nelson et al., 1990) which exhibits curvature.

  1. X1X1X2X2/X1X2Y sex chromosome systems in the Neotropical Gymnotiformes electric fish of the genus Brachyhypopomus

    PubMed Central

    Cardoso, Adauto Lima; Pieczarka, Julio Cesar; Nagamachi, Cleusa Yoshiko

    2015-01-01

    Several types of sex chromosome systems have been recorded among Gymnotiformes, including male and female heterogamety, simple and multiple sex chromosomes, and different mechanisms of origin and evolution. The X1X1X2X2/X1X2Y systems identified in three species of this order are considered homoplasic for the group. In the genus Brachyhypopomus, only B. gauderio presented this type of system. Herein we describe the karyotypes of Brachyhypopomus pinnicaudatus and B. n. sp. FLAV, which have an X1X1X2X2/X1X2Y sex chromosome system that evolved via fusion between an autosome and the Y chromosome. The morphology of the chromosomes and the meiotic pairing suggest that the sex chromosomes of B. gauderio and B. pinnicaudatus have a common origin, whereas in B . n. sp. FLAV the sex chromosome system evolved independently. However, we cannot discard the possibility of common origin followed by distinct processes of differentiation. The identification of two new karyotypes with an X1X1X2X2/X1X2Y sex chromosome system in Gymnotiformes makes it the most common among the karyotyped species of the group. Comparisons of these karyotypes and the evolutionary history of the taxa indicate independent origins for their sex chromosomes systems. The recurrent emergence of the X1X1X2X2/X1X2Y system may represent sex chromosomes turnover events in Gymnotiformes. PMID:26273225

  2. Low-dose Actinomycin-D treatment re-establishes the tumoursuppressive function of P53 in RELA-positive ependymoma

    PubMed Central

    Tzaridis, Theophilos; Milde, Till; Pajtler, Kristian W.; Bender, Sebastian; Jones, David T. W.; Müller, Simone; Wittmann, Andrea; Schlotter, Magdalena; Kulozik, Andreas E.; Lichter, Peter; Collins, V. Peter; Witt, Olaf; Kool, Marcel; Korshunov, Andrey; Pfister, Stefan M.; Witt, Hendrik

    2016-01-01

    Ependymomas in children can arise throughout all compartments of the central nervous system (CNS). Highly malignant paediatric ependymoma subtypes are Group A tumours of the posterior fossa (PF-EPN-A) and RELA-fusion positive (ST-EPN-RELA) tumours in the supratentorial compartment. It was repeatedly reported in smaller series that accumulation of p53 is frequently observed in ependymomas and that immunohistochemical staining correlates with poor clinical outcome, while TP53 mutations are rare. Our TP53 mutation analysis of 130 primary ependymomas identified a mutation rate of only 3%. Immunohistochemical analysis of 398 ependymomas confirmed previous results correlating the accumulation of p53 with inferior outcome. Among the p53-positive ependymomas, the vast majority exhibited a RELA fusion leading to the hypothesis that p53 inactivation might be linked to RELA positivity. In order to assess the potential of p53 reactivation through MDM2 inhibition in ependymoma, we evaluated the effects of Actinomycin-D and Nutlin-3 treatment in two preclinical ependymoma models representing the high-risk subtypes PF-EPN-A and ST-EPN-RELA. The IC-50 of the agent as determined by metabolic activity assays was in the lower nano-molar range (0.2–0.7 nM). Transcriptome analyses of high-dose (100 nM), low-dose (5 nM) and non-treated cells revealed re-expression of p53 dependent genes including p53 upregulated modulator of apoptosis (PUMA) after low-dose treatment. At the protein level, we validated the Actinomycin-D induced upregulation of PUMA, and of p53 interaction partners MDM2 and p21. Proapoptotic effects of low-dose application of the agent were confirmed by flow cytometry. Thus, Actinomycin-D could constitute a promising therapeutic option for ST-EPN-RELA ependymoma patients, whose tumours frequently exhibit p53 inactivation. PMID:27556362

  3. Severe Hepatic Sinusoidal Obstruction Syndrome in a Child Receiving Vincristine, Actinomycin-D, and Cyclophosphamide for Rhabdomyosarcoma: Successful Treatment with Defibrotide

    PubMed Central

    Choi, Aery; Kang, Young Kyung; Lim, Sewon; Kim, Dong Ho; Lim, Jung Sub; Lee, Jun Ah

    2016-01-01

    Hepatic sinusoidal obstruction syndrome (SOS) is a life-threatening syndrome that generally occurs as a complication after hematopoietic stem cell transplantation or, less commonly, after conventional chemotherapy. Regarding SOS in rhabdomyosarcoma patients who received conventional chemotherapy, the doses of chemotherapeutic agents are associated with the development of SOS. Several cases of SOS in rhabdomyosarcoma patients after receiving chemotherapy with escalated doses of cyclophosphamide have been reported. Here, we report on a 9-year-old female with rhabdomyosarcoma who developed severe SOS after receiving chemotherapy consisting of vincristine, actinomycin-D, and a moderate dose of cyclophosphamide. She was treated successfully with defibrotide without sequelae to the liver. PMID:27034141

  4. Blockade by anti-glucocorticoids, actinomycin D and cycloheximide of the anti-inflammatory action of some Kampohozai (Chinese traditional medicines) against serotonin.

    PubMed

    Amagaya, S; Higuchi, H; Ogihara, Y

    1984-10-01

    Blockade by anti-glucocorticoids, progesterone and 17 alpha-methyltestosterone, a messenger ribonucleic acid (m-RNA) synthesis inhibitor, actinomycin D, and a protein synthesis inhibitor, cycloheximide, of the anti-exudative action of five kinds of Kampohozai (Daisaikoto, Shosaikoto, Saikokeishito, Daiobotanpito and Tokakujokito) were studied to investigate mode of the anti-inflammatory action of those Kampohozai. The inflammatory lesion was provoked by injection of serotonin (0.3 micrograms) in the Tyrode solution (5 microliter) in subplantar region of the hind paw of mice. The above anti-glucocorticoids and the m-RNA and protein synthesis inhibitors suppressed the anti-inflammatory effects of Daisaikoto and Shosaikoto dose-dependently. The action of Saikokeishito was suppressed weakly by treatment with progesterone or 17 alpha-methyltestosterone, but not blocked by treatment with actinomycin D or cycloheximide. On the other hand, Daiobotanpito and Tokakujokito were not blocked by treatment with those four inhibitors. These results suggest that mechanism of anti-inflammatory action of Daisaikoto and Shosaikoto is similar to that of glucocorticoid but Daiobotanpito and Tokakujokito exert anti-inflammatory effects through some other mechanisms.

  5. On the growth of Hg2Cl(1-x)2Br(x2) single crystals

    NASA Technical Reports Server (NTRS)

    Singh, N. B.; Metz, E. P. A.; Stewart, A.; Gottlieb, M.; Hopkins, R.; Mazelsky, R.; Glicksman, M. E.; Haley, T. E.

    1992-01-01

    Single crystals of mixed mercurous halides Hg2X2 (where X = Cl and Br) were grown by the physical vapor transport process. Structural parameters and optical properties were determined to examine the suitability of mixed crystals for acoustooptic devices. Mixed crystals grown in the low concentration region did not show striations or banding. Crystals grown in the high concentration region showed considerable inhomogeneity in the refractive index. Since we had used identical thermal conditions, inhomogeneity was attributed to the solutal convection caused by the difference in densities of mercurous chloride and bromide vapors. A low concentration of dopant did not change the acoustic velocity of the parent components.

  6. Comments on the ring-opening polymerization of morpholine-2,5-dione derivatives by various metal catalysts and characterization of the products formed in the reactions involving R2SnX2, where X = OPr(i) and NMe2 and R = Bu(n), Ph and p-Me2NC6H4.

    PubMed

    Chisholm, M H; Galucci, J; Krempner, C; Wiggenhorn, C

    2006-02-14

    (3S,6S)-3-Isopropyl-6-methyl-morpholine-2,5-dione (1), and (3S,6S)-3,6-dimethyl-morpholine-2,5-dione (2), do not enter into ring-opening polymerization reactions with metal catalyst precursors commonly employed for lactides, and with Sn(II) octanoate, only low molecular weight oligomers are obtained. Reactions with R2SnX2 compounds, where R = Ph, Bu(n) and p-Me2NC6H4 and X = OPr(i) or NMe2, reveal that ring-opening of the morpholine-2,5-diones does occur, but that polymerization is terminated by the formation of kinetically-inert products such as {Ph2Sn[mu,eta(3)-OCH(Me)CONCH(Pr(i))COOPr(i)]}2 (3), and {[Bu(n))2Sn[mu,eta(3)-OCH(Me)CONCH(Me)CONMe2]}2 (4), with elimination of HX. Ph3SnOPr(i) is seen to react reversibly with morpholine-2,5-diones in toluene-d8 by 1H NMR spectroscopy while (Bu(n))3SnNMe2 reacts by ring opening to give (Bu(n))3SnOCH(Me)C(O)NHCHMeC(O)NMe2. The new organotin compounds have been characterized by 1H, 13C{1H} and 118Sn NMR spectroscopy and compounds 1, 2, 3 and 4 by single crystal X-ray crystallography.

  7. The structural basis of actinomycin D–binding induces nucleotide flipping out, a sharp bend and a left-handed twist in CGG triplet repeats

    PubMed Central

    Lo, Yu-Sheng; Tseng, Wen-Hsuan; Chuang, Chien-Ying; Hou, Ming-Hon

    2013-01-01

    The potent anticancer drug actinomycin D (ActD) functions by intercalating into DNA at GpC sites, thereby interrupting essential biological processes including replication and transcription. Certain neurological diseases are correlated with the expansion of (CGG)n trinucleotide sequences, which contain many contiguous GpC sites separated by a single G:G mispair. To characterize the binding of ActD to CGG triplet repeat sequences, the structural basis for the strong binding of ActD to neighbouring GpC sites flanking a G:G mismatch has been determined based on the crystal structure of ActD bound to ATGCGGCAT, which contains a CGG triplet sequence. The binding of ActD molecules to GCGGC causes many unexpected conformational changes including nucleotide flipping out, a sharp bend and a left-handed twist in the DNA helix via a two site-binding model. Heat denaturation, circular dichroism and surface plasmon resonance analyses showed that adjacent GpC sequences flanking a G:G mismatch are preferred ActD-binding sites. In addition, ActD was shown to bind the hairpin conformation of (CGG)16 in a pairwise combination and with greater stability than that of other DNA intercalators. Our results provide evidence of a possible biological consequence of ActD binding to CGG triplet repeat sequences. PMID:23408860

  8. Resistance of African Green Monkey Kidney Cell Lines to Actinomycin D: Drug Uptake in 37 RC Cells After Persistent Inhibition of Transcription

    PubMed Central

    Benedetto, Arrigo; Cassone, Antonio; Delfini, Carlo

    1979-01-01

    37 RC cells, a cultured line derived from African green monkey kidneys, survived long treatments with actinomycin D (AMD; 0.1 to 0.5 μg/ml) under strong inhibition of ribonucleic acid synthesis and blocking of cell division. One aspect of the complex cellular response to this treatment was a progressive lowering of the influx rate of AMD and, consequently, of its endocellular concentration, leading to a late resurgence of transcription. Overall protein synthesis decreased in AMD-treated cells, but more of the residual protein was exported to the cell surface, a fact associated with the development of numerous strands of endoplasmic reticulum and Golgi bodies in the cytoplasm. The lowering of AMD influx during the treatment was not simply due to the decay of protein synthesis, and there was no evidence for a carrier-mediated transport of the drug. It was paralleled by, but seemingly not related to, modifications in cellular microtubules and microfilaments. The rate of AMD influx was restored to levels comparable to those of untreated cells by short exposure to ethylenediaminetetraacetic acid and trypsin. It is concluded that the changes in plasma membrane of 37 RC cells, creating an obstacle to the influx of AMD after long treatment with this drug, probably consist of an accumulation and/or a different distribution of glycoproteins or other surface components on the cell surface. Images PMID:106777

  9. Credit WCT. Original 2'" x 2'" color negative is housed ...

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

    Credit WCT. Original 2-'" x 2-'" color negative is housed in the JPL Photography Laboratory, Pasadena, California. View shows small autoclave demonstrated by JPL staff member Milton Clay (JPL negative no. JPL-10286AC, 27 January 1989). - Jet Propulsion Laboratory Edwards Facility, Liner Laboratory, Edwards Air Force Base, Boron, Kern County, CA

  10. SpaceX 2: Liftoff of Falcon 9

    NASA Video Gallery

    SpaceX's Falcon 9 rocket and Dragon spacecraft launch on time at 10:10 a.m. EST from Launch Complex 40 at Cape Canaveral Air Force Station in Florida. The goal of the SpaceX 2 mission is to resuppl...

  11. Credit WCT. Original 2'" x 2%" color negative is housed ...

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

    Credit WCT. Original 2-'" x 2-%" color negative is housed in the JPL Photography Laboratory, Pasadena, California. This view shows the propellant cutter as it was originally installed (JPL negative no. 381-2274A, 29 June 1962) - Jet Propulsion Laboratory Edwards Facility, Preparation Building, Edwards Air Force Base, Boron, Kern County, CA

  12. The Complete Z-diagram of LMC X-2

    NASA Technical Reports Server (NTRS)

    White, Nicholas E. (Technical Monitor); Smale, A. P.; Homan, J.; Kuulkers, E.

    2003-01-01

    We present results from four Rossi X-ray Timing Explorer (RXTE) observations of the bright low mass X-ray binary LMC X-2. During these observations, which span a year and include over 160 hrs of data, the source exhibits clear evolution through three branches on its hardness-intensity and color-color diagrams, consistent with the flaring, normal, and horizontal branches (FB, NB, HB) of a Z-source, and remarkably similar to Z-tracks derived for GX 17+2, Sco X-1 and GX 349+2. LMC X-2 was observed in the FB, NB, and HB for roughly 30%, 40%, and 30% respectively of the total time covered. The source traces out the full extent of the Z in approximately 1 day, and the Z-track shows evidence for secular shifts on a timescale in excess of a few days. Although the count rate of LMC X-2 is low compared with the other known 2-sources due to its greater distance, the power density spectra selected by branch show very-low-frequency noise characteristics at least consistent with those from other Z-sources. We thus confirm the identification of LMC X-2 as a Z-source, the first identified outside our Galaxy.

  13. Overexpression of phospholipase D prevents actinomycin D-induced apoptosis through potentiation of phosphoinositide 3-kinase signalling pathways in Chinese-hamster ovary cells.

    PubMed Central

    Yamada, Momoko; Banno, Yoshiko; Takuwa, Yoh; Koda, Masahiro; Hara, Akira; Nozawa, Yoshinori

    2004-01-01

    To examine the roles of PLD (phospholipase D) in the regulation of the apoptotic process, PLD1 and PLD2 were stably overexpressed in S1P3-CHO cells [CHO (Chinese-hamster ovary) cells expressing the S1P (sphingosine 1-phosphate) receptor S1P3]. Treatment of S1P3-CHO cells with ActD (actinomycin D) induced apoptosis, as shown by the occurrence of nuclear fragmentation and the caspase-dependent proteolytic cleavage of PARP [poly(ADP-ribose) polymerase] and protein kinase Cd. Overexpression of either PLD1 or PLD2 protected S1P3-CHO cells from ActD-induced apoptosis, as demonstrated by an increased number of viable cells and inhibition of PARP and protein kinase Cd cleavage. However, in the early phase of apoptosis, ActD induced an increase in PLD activity and activation of key factors in the cell-survival signalling pathways, such as PI3K (phosphoinositide 3-kinase), Akt, p70S6K (p70 S6 kinase) and ERK (extracellular-signal-regulated kinase). Furthermore, the ActD-induced activation of these survival signalling enzymes was potentiated by overexpression of either PLD1 or PLD2. The PI3K inhibitor LY294002 inhibited the ActD-induced activation of Akt and p70S6K, and completely abolished the effects of PLD1 or PLD2, whereas inhibition of ERK activity by the MEK inhibitor U0126 had a milder effect. The ActD-induced activation of p70S6K and ERKs was blocked by 1-butanol, but not by t-butanol; similar to S1P, exogenous PLD suppressed the ActD-induced events in the apoptosis signalling pathways. These results show that, in S1P3-CHO cells, increased expression of PLDs prevents ActD-induced apoptosis by enhanced activation of the PI3K signalling pathways. PMID:14640974

  14. Comparing and evaluating the efficacy of methotrexate and actinomycin D as first-line single chemotherapy agents in low risk gestational trophoblastic disease

    PubMed Central

    Kim, Dae-Yeon; Suh, Dae-Shik; Kim, Jong-Hyeok; Kim, Young-Tak

    2017-01-01

    Objective The aim of this study was to compare responses to single-agent chemotherapies and evaluate the predictive factors of resistance in low risk (LR) gestational trophoblastic disease (GTD). The chemotherapy agents included methotrexate (MTX) and actinomycin D (ACT-D). Methods We conducted a retrospective study of 126 patients with GTD who were treated between 2000 and 2013. A total of 71 patients with LR GTD were treated with MTX (8-day regimen or weekly regimen, n=53) or ACT-D (bi-weekly pulsed regimen or 5-day regimen, n=18). The successful treatment group and the failed treatment group were compared and analyzed to identify prognostic factors. Results The complete response rates were 83.3% for ACT-D and 62.2% for MTX, with no statistically significant difference. There was no severe adverse effect reported for either group. Longer interval durations from the index pregnancy (>2 months, p=0.040) and larger tumor size (>3 cm, p=0.020) were more common in non-responders than in responders; these results were statistically significant. Conclusion Based on our results, ACT-D may be a better option than MTX as a first-line single chemotherapy agent for LR GTD. The bi-weekly pulsed ACT-D regimen had minimal, or at least the same, toxicities compared with MTX. However, due to the lack of strong supporting evidence, it cannot be conclusively stated that this is the best single agent for first-line chemotherapy in LR GTD patients. Further larger controlled trials will be necessary to establish the best guidelines for GTD treatment. PMID:27819410

  15. Spermine Attenuates the Action of the DNA Intercalator, Actinomycin D, on DNA Binding and the Inhibition of Transcription and DNA Replication

    PubMed Central

    Chen, Jeremy J. W.; Wu, Wen-Lin; Yuann, Jeu-Ming P.; Su, Wang-Lin; Chuang, Show-Mei; Hou, Ming-Hon

    2012-01-01

    The anticancer activity of DNA intercalators is related to their ability to intercalate into the DNA duplex with high affinity, thereby interfering with DNA replication and transcription. Polyamines (spermine in particular) are almost exclusively bound to nucleic acids and are involved in many cellular processes that require nucleic acids. Until now, the effects of polyamines on DNA intercalator activities have remained unclear because intercalation is the most important mechanism employed by DNA-binding drugs. Herein, using actinomycin D (ACTD) as a model, we have attempted to elucidate the effects of spermine on the action of ACTD, including its DNA-binding ability, RNA and DNA polymerase interference, and its role in the transcription and replication inhibition of ACTD within cells. We found that spermine interfered with the binding and stabilization of ACTD to DNA. The presence of increasing concentrations of spermine enhanced the transcriptional and replication activities of RNA and DNA polymerases, respectively, in vitro treated with ActD. Moreover, a decrease in intracellular polyamine concentrations stimulated by methylglyoxal-bis(guanylhydrazone) (MGBG) enhanced the ACTD-induced inhibition of c-myc transcription and DNA replication in several cancer cell lines. The results indicated that spermine attenuates ACTD binding to DNA and its inhibition of transcription and DNA replication both in vitro and within cells. Finally, a synergistic antiproliferative effect of MGBG and ACTD was observed in a cell viability assay. Our findings will be of significant relevance to future developments in combination with cancer therapy by enhancing the anticancer activity of DNA interactors through polyamine depletion. PMID:23144800

  16. Low-Dose Actinomycin-D Induces Redistribution of Wild-Type and Mutated Nucleophosmin Followed by Cell Death in Leukemic Cells.

    PubMed

    Brodská, Barbora; Holoubek, Aleš; Otevřelová, Petra; Kuželová, Kateřina

    2016-06-01

    Specific mutations involving C-terminal part of the nucleolar protein nucleophosmin (NPM) are associated with better outcome of acute myeloid leukemia (AML) therapy, possibly due to aberrant cytoplasmic NPM localization facilitating induction of anti-NPM immune response. Actinomycin D (actD) is known to induce nucleolar stress leading to redistribution of many nucleolar proteins, including NPM. We analyzed the distribution of both wild-type and mutated NPM (NPMmut) in human cell lines, before and after low-dose actD treatment, in living cells expressing exogenous fluorescently labeled proteins as well as using immunofluorescence staining of endogenous proteins in fixed cells. The wild-type NPM form is prevalently nucleolar in intact cells and relocalizes mainly to the nucleoplasm following actD addition. The mutated NPM form is found both in the nucleoli and in the cytoplasm of untreated cells. ActD treatment leads to a marked increase in NPMmut amount in the nucleoplasm while a mild decrease is observed in the cytoplasm. Cell death was induced by low-dose actD in all the studied leukemic cell lines with different p53 and NPM status. In cells expressing the tumor suppresor p53 (CML-T1, OCI-AML3), cell cycle arrest in G1/G0 phase was followed by p53-dependent apoptosis while in p53-null HL60 cells, transient G2/M-phase arrest was followed by cell necrosis. We conclude that although actD does not increase NPM concentration in the cytoplasm, it could improve the effect of standard chemotherapy in leukemias through more general mechanisms.

  17. [Apoptotic cell death induced by actinomycin D arisen at different levels and cell cycle stages according to human cultured cell species].

    PubMed

    Ohyama, K; Sakai, N; Maruhashi, Y; Enn, P; Uchide, N; Yamakawa, T

    2000-05-01

    Nine kinds of human cultured cells, including fetus cells (smooth chorion trophoblast cells, amnion epithelial cells and HE-21), adult non-carcinoma cells (HCF), and carcinoma cells (KATO-III, COLO 201, Lu-134-AH, SK-OV-3 and SKG-3a) were stimulated with Actinomycin (Act.) D for 24 h. Apoptosis induction was investigated by agarose gel electrophoresis for DNA fragmentation analysis and by flow cytometric analysis of stained cells using in situ terminal deoxynucleotidyl-transferase (TdT)-mediated dUTP nick-end labeling TUNEL) staining techniques for the quantification of apoptosis, and simultaneously using propidium iodide for the gain of some information about cell cycle. By agarose gel electrophoresis, DNA fragmentation of these cells except amnion epithelial and SKG-3a cells was detected, depending on concentration of Act. D. Using flow cytometric analysis, these cells were separated into four groups according to the information about cell cycle. Group 1 included amnion epithelial and SKG-3a cells, which were TUNEL negative. In group 2, all cell populations at G0/G1 and G2/M phases of HCC, KATO-III and SK-OV-3 were TUNEL staining positive. A portion of each G0/G1 or G2/M phase cell of Lu-134-AH and COLO 201 in group 3 was TUNEL stain positive. In group 4, G2/M phase cells of smooth chorion trophoblast cells and HE-21 were mostly stained and a small population of G0/G1 phase cells were also TUNEL stain positive. These results show that the stages of the cell cycle at which apoptosis was arisen by Act. D stimulation were significantly different depending on the cells types.

  18. LMC X--2: The First Extragalactic Z-Source?

    NASA Astrophysics Data System (ADS)

    Smale, Alan P.; Kuulkers, Erik

    1999-04-01

    We present RXTE observations of LMC X--2 obtained during a five-day interval in 1997 December, during which the source was radiating at a mean intensity ~ 1.2LEdd and strongly variable on timescales of seconds to hours. The shapes of the X-ray color-color and hardness-intensity diagrams during the observations, the presence of VLFN and possible HFN in the power spectra, and the high intrinsic X-ray luminosity of LMC X--2 (which historically spans 0.4--2.0LEdd for reasonable estimates of the neutron star mass) are more characteristic of a Z-source in its flaring branch than of an atoll-source. On this basis, we provisionally reclassify LMC X--2 as a Z-source, the eighth such source known and the first to be detected beyond our Galaxy. Using periodogram and Fourier analysis of the X-ray lightcurve we detect an apparently-significant X-ray modulation with a period of 8.160+/-0.011 hrs and a semi-amplitude increasing from 14% in the 1.8--4.0 keV range to 40% at 8.7--19.7 keV. This X-ray modulation appears to confirm a candidate orbital periodicity determined from optical photometry ten years prior to our campaign, but we cannot rule out a chance alignment of intrinsic X-ray flares. Current RXTE ASM light curves, and archival EXOSAT observations, show no sign of such a pronounced periodicity. The X-ray spectrum of LMC X--2 can be well fit using variations of simple Comptonization models. Fits to intensity( =~ phase)-resolved spectra show strong correlations between the power law slope (in one parameterization) or the depth to optical scattering (in another) and intensity. We discuss the implications for the inclination, geometry, and emitting regions of the LMC X--2 system.

  19. LMC X-2: The First Extragalactic Z Source?

    NASA Astrophysics Data System (ADS)

    Smale, Alan P.; Kuulkers, Erik

    2000-01-01

    We present RXTE observations of LMC X-2 obtained during a 5 day interval in 1997 December, during which the source was radiating at a mean intensity near the Eddington limit and was strongly variable on timescales of seconds to hours. The shapes of the X-ray color-color and hardness-intensity diagrams during the observations, the presence of very low frequency noise and high-frequency noise in the power spectra, and the high intrinsic X-ray luminosity of LMC X-2 (which historically spans 0.4-2.0LEdd for reasonable estimates of the neutron star mass) are more characteristic of a Z source in its flaring branch than of an atoll source. On this basis, we provisionally reclassify LMC X-2 as a Z source, the eighth such source known and the first to be detected beyond our Galaxy. Using periodogram and Fourier analysis of the X-ray light curve, we detect an apparently significant modulation with a period of 8.160+/-0.011 hr and a semiamplitude increasing from 14% in the 1.8-4.0 keV range to 40% at 8.7-19.7 keV. This X-ray modulation appears to confirm a candidate orbital periodicity determined from optical photometry 10 years prior to our campaign, but we cannot rule out a chance alignment of intrinsic X-ray flares. Current RXTE All-Sky Monitor light curves and archival EXOSAT observations show no sign of such a pronounced periodicity. The X-ray spectrum of LMC X-2 can be well fit using variations of simple Comptonization models. Fits to phase (~=intensity) resolved spectra show strong correlations between the power-law slope (in one parameterization) or the depth to optical scattering (in another) and phase. We discuss the implications of these results for the inclination, geometry, and emitting regions of the LMC X-2 system.

  20. Ising models on the 2 x 2 x {infinity} lattices

    SciTech Connect

    Yurishchev, M. A.

    2007-03-15

    Exact analytic solutions are presented for two 2 x 2 x {infinity} Ising etageres. The first model has a simple cubic lattice with fully anisotropic interactions. The second model consists of two different types of linear chains and includes noncrossing diagonal bonds on the side faces of the 2 x 2 x {infinity} parallelepiped. In both cases, the solutions are expressed through square radicals and obtained by using the obvious symmetry of the Hamiltonians, Z{sub 2} x C{sub 2v}, and the hidden algebraic {lambda}{lambda} symmetry of the transfer matrix secular equations. The solution found for the second model is used to analyze the behavior of specific heat in a frustrated many-chain system.

  1. Cygnus X-2 in a radio quiet state

    NASA Astrophysics Data System (ADS)

    Rushton, A.; Bach, U.; Spencer, R.; Kadler, M.; Church, M.; Balucinska-Church, M.; Wilms, J.; Hanke, M.; Zola, S.; Schulz, N.

    2009-05-01

    The neutron star X-ray binary Cygnus X-2 was observed using the e- EVN (European VLBI Network) on May 12/13th 2009 between 23:00-13:00 UT at 5 GHz. The radio telescopes participating with the e-EVN at 5 GHz were Effelsberg, Medicina, Onsala 25m, Torun, Sheshan, Yebes, Jodrell Bank MKII, Cambridge and Knockin. A maximum data rate of 1024 Mbps were achieved from four telescopes (Effelsberg, Onsala, Torun and Jodrell Bank MKII).

  2. Superconductivity in the BaPb 1- xBi x/2 Sb x/2 O 3 system

    NASA Astrophysics Data System (ADS)

    Fu, W. T.; Drost, R. J.

    1998-08-01

    The system BaPb 1- xBi x/2 Sb x/2 O 3 has been synthesized and investigated. The parent compound, BaBi 0.5Sb 0.5O 3, is a rhombohedral perovskite, having an ordered arrangement of Bi 3+ and Sb 5+ ions. Upon Pb-doping the ordered arrangement vanishes at x≈0.60, but the system remains insulating. Superconductivity occurs in the composition range of about 0.2≤ x<0.4 with the Tc (magnetically determined) ranging from 2 K to 6 K. The most important feature of this system is that the Bi exists only as Bi 3+. Therefore, the occurrence of superconductivity may shed the light on whether the pairing mechanism in the bismuthate superconductors can be described in terms of local pairs.

  3. Operations Resources Management Career Ladder AFSC 271X2.

    DTIC Science & Technology

    1986-02-01

    Flight Maintenance Dispatcher Subcluster (GRP293, N= O ) I_ K -u o . -w f 30 r -l ~ ~ - .. . - --- __ _ FIGURE 1 AFSC 271X2 CAREER LADDER STRUCTURE...DAFSC 27172 AND 27192AP PER SON NE L (PERCENT MEMBERS PERFORMING) DAFSC DAFSC 27152 27172 TASKS (N=b12) (N=65) DIFFERENCE K F156 PREPARE AND MAINTAIN...UNCLASSIFIED F/ O 5/9 NL Ehhhhhhhmmmu mmmmhmhhu smmhhhhhmmhsm IL 11-m1 1 5 11.4~ MICROCOPY RESOLUTION TEST CHART -’wAf 4UPCIir OF T4%(OR~4I 3 UNITED STATES AIR

  4. 2 x 2 TeV mu(superscript +) mu (superscript) collider

    SciTech Connect

    Mokhov, N.V.; Noble, R.J.

    1996-10-01

    The scenarios for high-luminosity 2 x 2 TeV and 250 x 250 GeV {mu}{sup +}{mu}{sup -} colliders are presented. Having a high physics potential, such a machine has specific physics and technical advantages and disadvantages when compared with an e{sup +}e{sup -} collider. Parameters for the candidate designs and the basic components - proton source, pion production and decay channel, cooling, acceleration and collider storage ring - are considered. Attention is paid to the areas mostly affecting the collider performance: targetry, energy spread, superconducting magnet survival, detector backgrounds, polarization, environmental issues. 13 refs., 9 figs., 4 tabs.

  5. Water regulation of actinomycin-D binding to DNA: the interplay among drug affinity, DNA long-range conformation, and hydration.

    PubMed

    Ruggiero Neto, J; Colombo, M F

    2000-01-01

    Actinomycin-D (actD) binds to natural DNA at two different classes of binding sites, weak and strong. The affinity for these sites is highly dependent on DNA sequence and solution conditions, and the interaction appears to be purely entropic driven. Although the entropic character of this reaction has been attributed to the release of water molecules upon drug to DNA complex formation, the mechanism by which hydration regulates actD binding and discrimination between different classes of binding sites on natural DNA is still unknown. In this work, we investigate the role of hydration on this reaction using the osmotic stress method. We show that the decrease of solution water activity, due to the addition of sucrose, glycerol, ethylene glycol, and betaine, favors drug binding to the strong binding sites on DNA by increasing both the apparent binding affinity delta G, and the number of DNA base pairs apparently occupied by the bound drug nbp/actD. These binding parameters vary linearly with the logarithm of the molar fraction of water in solution log(chi w), which indicates the contribution of water binding to the energetic of the reaction. It is demonstrated that the hydration change measured upon binding increases proportionally to the apparent size of the binding site nbp/actD. This indicates that nbp/actD, measured from the Scatchard plot, is a measure of the size of the DNA molecule changing conformation due to ligand binding. We also find that the contribution of DNA deformation, gauged by nbp/actD, to the total free energy of binding delta G, is given by delta G = delta Glocal + nbp/actD x delta GDNA, where delta Glocal = -8020 +/- 51 cal/mol of actD bound and delta GDNA = -24.1 +/- 1.7 cal/mol of base pair at 25 degrees C. We interpret delta Glocal as the energetic contribution due to the direct interactions of actD with the actual tetranucleotide binding site, and nbp/actD x delta GDNA as that due to the change in conformation, induced by binding, of nbp

  6. Mixed-Up Sex Chromosomes: Identification of Sex Chromosomes in the X1X1X2X2/X1X2Y System of the Legless Lizards of the Genus Lialis (Squamata: Gekkota: Pygopodidae).

    PubMed

    Rovatsos, Michail; Johnson Pokorná, Martina; Altmanová, Marie; Kratochvíl, Lukáš

    2016-01-01

    Geckos in general show extensive variability in sex determining systems, but only male heterogamety has been demonstrated in the members of their legless family Pygopodidae. In the pioneering study published more than 45 years ago, multiple sex chromosomes of the type X1X1X2X2/X1X2Y were described in Burton's legless lizard (Lialisburtonis) based on conventional cytogenetic techniques. We conducted cytogenetic analyses including comparative genomic hybridization and fluorescence in situ hybridization (FISH) with selected cytogenetic markers in this species and the previously cytogenetically unstudied Papua snake lizard (Lialis jicari) to better understand the nature of these sex chromosomes and their differentiation. Both species possess male heterogamety with an X1X1X2X2/X1X2Y sex chromosome system; however, the Y and one of the X chromosomes are not small chromosomes as previously reported in L. burtonis, but the largest macrochromosomal pair in the karyotype. The Y chromosomes in both species have large heterochromatic blocks with extensive accumulations of GATA and AC microsatellite motifs. FISH with telomeric probe revealed an exclusively terminal position of telomeric sequences in L. jicari (2n = 42 chromosomes in females), but extensive interstitial signals, potentially remnants of chromosomal fusions, in L.burtonis (2n = 34 in females). Our study shows that even largely differentiated and heteromorphic sex chromosomes might be misidentified by conventional cytogenetic analyses and that the application of more sensitive cytogenetic techniques for the identification of sex chromosomes is beneficial even in the classical examples of multiple sex chromosomes.

  7. Molecular and functional characterization of human P2X(2) receptors.

    PubMed

    Lynch, K J; Touma, E; Niforatos, W; Kage, K L; Burgard, E C; van Biesen, T; Kowaluk, E A; Jarvis, M F

    1999-12-01

    P2X receptors are a family of ATP-gated ion channels. Four cDNAs with a high degree of homology to the rat P2X(2) receptor were isolated from human pituitary and pancreas RNA. Genomic sequence indicated that these cDNAs represent alternatively spliced messages. Northern analysis revealed high levels of human P2X(2) (hP2X(2)) message in the pancreas, and splice variants could be detected in a variety of tissues. Two cDNAs encoded functional ion channels when expressed in Xenopus oocytes, a receptor structurally homologous to the prototype rat P2X(2) receptor (called hP2X(2a)) and a variant containing a deletion within its cytoplasmic C terminus (called hP2X(2b)). Pharmacologically, these functional human P2X(2) receptors were virtually indistinguishable, with the P2X receptor agonists ATP, 2-methylthio-ATP, 2' and 3'-O-(4-benzoylbenzoyl)-ATP, and ATP5'-O-(3-thiotriphosphate) being approximately equipotent (EC(50) = 1 microM) in eliciting extracellular Ca(2+) influx. The P2 receptor agonists alpha,beta-methylene ATP, adenosine, adenosine 5'-O-(2-thiodiphosphate), and UTP were inactive at concentrations up to 100 microM. Both hP2X(2a) and hP2X(2b) receptors were sensitive to the P2 receptor antagonist pyridoxal-5-phosphate-6-azophenyl-2', 4'-disulfonic acid (IC(50) = 3 microM). In contrast to the analogous rat P2X(2) and P2X(2b) receptors, the desensitization rates of the hP2X(2a) and hP2X(2b) receptors were equivalent. Both functional forms of the human P2X(2) receptors formed heteromeric channels with the human P2X(3) receptor. These data demonstrate that the gene structure and mRNA heterogeneity of the P2X(2) receptor subtype are evolutionarily conserved between rat and human, but also suggest that alternative splicing serves a function other than regulating the desensitization rate of the human receptor.

  8. A study of the atmospherically important reactions between dimethyl selenide (DMSe) and molecular halogens (X2 = Cl2, Br2, and I2) with ab initio calculations.

    PubMed

    Rhyman, Lydia; Armata, Nerina; Ramasami, Ponnadurai; Dyke, John M

    2012-06-14

    The atmospherically relevant reactions between dimethyl selenide (DMSe) and the molecular halogens (X(2) = Cl(2), Br(2), and I(2)) have been studied with ab initio calculations at the MP2/aug-cc-pVDZ level of theory. Geometry optimization calculations showed that the reactions proceed from the reagents to the products (CH(3)SeCH(2)X + HX) via three minima, a van der Waals adduct (DMSe:X(2)), a covalently bound intermediate (DMSeX(2)), and a product-like complex (CH(3)SeCH(2)X:HX). The computed potential energy surfaces are used to predict what molecular species are likely to be observed in spectroscopic experiments such as gas-phase photoelectron spectroscopy and infrared matrix isolation spectroscopy. It is concluded that, for the reactions of DMSe with Cl(2) and Br(2), the covalent intermediate should be seen in spectroscopic experiments, whereas, in the DMSe + I(2) reaction, the van der Waals adduct DMSe:I(2) should be observed. Comparison is made with previous related calculations and experiments on dimethyl sulfide (DMS) with molecular halogens. The relevance of the results to atmospheric chemistry is discussed. The DMSeX(2) and DMSe:X(2) intermediates are likely to be reservoirs of molecular halogens in the atmosphere which will lead on photolysis to ozone depletion.

  9. Nonadiabatic Renner-Teller quantum dynamics of OH(X(2)Π) + H(+) reactive collisions.

    PubMed

    Gamallo, Pablo; Akpinar, Sinan; Defazio, Paolo; Petrongolo, Carlo

    2017-02-08

    Following previous studies on the O((3)P) + H2(+)(X(2)Σg(+)) collisions, we present the nonadiabatic quantum dynamics of the reactions OH(X(2)Π) + H'(+) → OH'(X(2)Π) + H(+), exchange (e), → OH(+)(X(3)Σ(-)) + H'((2)S), quenching (q), and → OH'(+) (X(3)Σ(-)) + H((2)S), exchange-quenching (eq). The reactants and products correlate via the ground X[combining tilde](2)A'' and first excited Ã(2)A' electronic states of OH2(+), which are the degenerate components of linear (2)Π species. Therefore, they are strongly perturbed by nonadiabatic Renner-Teller (RT) effects, opening the (q) and (eq) channels that are closed in the Born-Oppenheimer approximation. Using accurate potential energy surfaces (PESs) and RT matrix elements, initial-state-resolved reaction probabilities, real-time dynamics, cross sections, and rate constants of the product channels are obtained through the time-dependent real wavepacket (WP) method and full coupled-channel calculations. Owing to the nonadiabatic couplings, the WP jumps from the excited Ã(2)A' surface to the X[combining tilde](2)A'' ground PES, avoiding any barrier, opening the quenching channels, and giving many collision complexes into the deep minima of both PESs, as it is clearly shown by the oscillations of the reaction probabilities and by the time-dependent WP dynamics. All the results show that the nonadiabatic-RT channels (q) and (eq) are highly reactive, much more than the adiabatic one (e), pointing out large RT effects. The reactivity of the quenching channels is similar, accounting for 97% of the overall reactivity. In fact, the maximum values of the (q) and (eq) cross sections σq and σeq are equal to 31.6 Å(2), whereas the maximum σe value equals 1.34 Å(2), and the maximum values of the rate constants kq, keq, and ke are 2.07 × 10(-10), 2.45 × 10(-10), and 0.23 × 10(-10) cm(3) s(-1). Some calculations show that the centrifugal-sudden and the truncated coupled-channel approximations cannot be employed for

  10. The Conterminous United States Mineral Assessment Program; background information to accompany folio of geologic, geophysical, geochemical, mineral-occurrence, mineral-resource potential, and mineral-production maps of the Charlotte 1 degree x 2 degrees Quadrangle, North Carolina and South Carolina

    USGS Publications Warehouse

    Gair, Jacob Eugene; Goldsmith, Richard; Daniels, D.L.; Griffitts, W.R.; DeYoung, J.H.; Lee, M.P.

    1986-01-01

    This Circular and the folio of separately published maps described herein are part of a series of reports compiled under the Conterminous United States Mineral Assessment Program ICUSMAP). The folio on the Charlotte 1 degree ? 2 degree quadrangle, North Carolina and South Carolina, includes (1) a geologic map; (2) four geophysical maps; (3) geochemical maps for metamorphic heavy minerals, copper, lead and artifacts, zinc, gold, tin, beryllium, niobium, tungsten, molybdenum, titanium, cobalt, lithium, barium, antimony-arsenic-bismuth-cadmium, thorium-cerium-monazite, and limonite; (4) mineral-occurrence maps for kyanite-sillimanite-lithium-mica-feldspar-copper-lead-zinc, gold-quartz-barite-fluorite, iron-thorium-tin-niobium, and construction materials-gemstones; (5) mineral-resource potential maps for copper-lead-zinc-combined base metals, gold, tin-tungsten, beryllium-molybdenum-niobium, lithium-kyanite- sillimanitebarite, thorium (monazite)-uranium, and construction materials; and (6) mineral-production maps. The Charlotte quadrangle is mainly within the Piedmont physiographic province and extends from near the Coastal Plain on the southeast into the Blue Ridge province on the northwest for a short distance. Parts of six lithotectonic belts are present--the Blue Ridge, the Inner Piedmont, the Kings Mountain belt, the Charlotte belt, the Carolina slate belt, and the Wadesboro basin. Igneous, metamorphic, and sedimentary rocks are present and range in age from Proterozoic to Mesozoic; alluvial sediments of Quaternary age occur along rivers and larger streams. Rocks of the Blue Ridge include Middle Proterozoic granitoid gneiss intruded by Late Proterozoic granite; Late Proterozoic paragneiss, schist, and other metasedimentary and metavolcaniclastic rocks (Ashe and Grandfather Mountain Formations); Late Proterozoic and Early Cambrian metasedimentary rocks (Chilhowee Group); and Early Cambrian sedimentary rocks (Shady Dolomite). Paleozoic granites intrude the

  11. A new multiple sex chromosome system X1X1X2X2/X1Y1X2Y2 in Siluriformes: cytogenetic characterization of Bunocephalus coracoideus (Aspredinidae).

    PubMed

    Ferreira, Milena; Garcia, Caroline; Matoso, Daniele Aparecida; de Jesus, Isac Silva; Feldberg, Eliana

    2016-10-01

    We analyzed one Bunocephalus coracoideus population from the Negro River basin using cytogenetic techniques. The results showed a diploid number of 42 chromosomes in both sexes, with the karyotypic formula 4m + 14sm + 24a and fundamental number (FN) = 60 for females and the formula 5m + 14sm + 23a and FN = 61 for males, constituting an X1X1X2X2/X1Y1X2Y2 multiple sex chromosome system. The constitutive heterochromatin is distributed in the pericentromeric regions of most of the chromosomes, except for the sex chromosomes, of which the X1, X2, and Y1 chromosomes were euchromatic and the Y2 chromosome was partially heterochromatic. 18S rDNA mapping confirmed the presence of nucleolar organizer regions on the short arms of the fifth chromosomal pair for both sexes. The 5S rDNA is present in the terminal regions of the short arms on the 2nd, 10th, and 12th pairs and on the X2 chromosome of both sexes; however, we observed variations in the presence of these ribosomal cistrons on the Y1 chromosome, on which the cistrons are pericentromeric, and on the Y2 chromosome, on which these cistrons are present in the terminal portions of the short and long arms. Telomeric sequences are located in the terminal regions of all of the chromosomes, particularly conspicuous blocks on the 10th and 12th pairs and internal telomeric sequences in the centromeric regions of the 1st, 6th, and 9th pairs for both sexes. This work describes an new sex chromosomes system for the Siluriformes and increases our genetic knowledge of the Aspredinidae family.

  12. Avionic Sensor Systems and Aerospace Photographic Systems Repair Career Ladders AFSCs 322X2A, 322X2C, and 404X1.

    DTIC Science & Technology

    1984-07-01

    3ABR322X2C is 98 days; and course 3ABR404X1 is 73 days in duration. The A- and C-shred attend a 226-hour G3AQR32020-005 Electronics Principles Course...The 404X1 receive electronics principles incorporated into their regular curriculum for a total of 183 hours. Successful completion of the tech school... Electronics Principles Inventory (EPI) was recently completed which included the 322X2A AFSC. The goal of an EPI is to obtain information on percent

  13. Magnetic Properties and Phase Diagram of Ni50Mn_{50-x}Ga_{x/2}In_{x/2} Magnetic Shape Memory Alloys

    NASA Astrophysics Data System (ADS)

    Xu, Xiao; Yoshida, Yasuki; Omori, Toshihiro; Kanomata, Takeshi; Kainuma, Ryosuke

    2016-12-01

    Ni50Mn50- x Ga x/2In x/2 magnetic shape memory alloys were systematically prepared, and the magnetic properties as well as the phase diagram, including atomic ordering, martensitic and magnetic transitions, were investigated. The B2- L21 order-disorder transformation showed a parabolic-like curve against the Ga+In composition. The martensitic transformation temperature was found to decrease with increasing Ga+In composition and to slightly bend downwards below the Curie temperature of the parent phase. Spontaneous magnetization was investigated for both parent and martensite alloys. The magnetism of martensite phase was found to show glassy magnetic behaviors by thermomagnetization and AC susceptibility measurements.

  14. Flexible subunit stoichiometry of functional human P2X2/3 heteromeric receptors.

    PubMed

    Kowalski, Maria; Hausmann, Ralf; Schmid, Julia; Dopychai, Anke; Stephan, Gabriele; Tang, Yong; Schmalzing, Günther; Illes, Peter; Rubini, Patrizia

    2015-12-01

    The aim of the present work was to clarify whether heterotrimeric P2X2/3 receptors have a fixed subunit stoichiometry consisting of one P2X2 and two P2X3 subunits as previously suggested, or a flexible stoichiometry containing also the inverse subunit composition. For this purpose we transfected HEK293 cells with P2X2 and P2X3 encoding cDNA at the ratios of 1:2 and 4:1, and analysed the biophysical and pharmacological properties of the generated receptors by means of the whole-cell patch-clamp technique. The concentration-response curves for the selective agonist α,β-meATP did not differ from each other under the two transfection ratios. However, co-expression of an inactive P2X2 mutant and the wild type P2X3 subunit and vice versa resulted in characteristic distortions of the α,β-meATP concentration-response relationships, depending on which subunit was expressed in excess, suggesting that HEK293 cells express mixtures of (P2X2)1/(P2X3)2 and (P2X2)2/(P2X3)1 receptors. Whereas the allosteric modulators H+ and Zn2+ failed to discriminate between the two possible heterotrimeric receptor variants, the α,β-meATP-induced responses were blocked more potently by the competitive antagonist A317491, when the P2X2 subunit was expressed in deficit of the P2X3 subunit. Furthermore, blue-native PAGE analysis of P2X2 and P2X3 subunits co-expressed in Xenopus laevis oocytes and HEK293 cells revealed that plasma membrane-bound P2X2/3 receptors appeared in two clearly distinct heterotrimeric complexes: a (P2X2-GFP)2/(P2X3)1 complex and a (P2X2-GFP)1/(P2X3)2 complex. These data strongly indicate that the stoichiometry of the heteromeric P2X2/3 receptor is not fixed, but determined in a permutational manner by the relative availability of P2X2 and P2X3 subunits.

  15. The Schrödinger System H=-12(tot)a∂xx+12ω2(tto)bX2

    NASA Astrophysics Data System (ADS)

    Nieto, Michael Martin; Truax, D. Rodney

    2001-08-01

    We attack the specific time-dependent Hamiltonian problem H=-12(tot)a∂xx+12ω2(tto)bx2. This corresponds to a time-dependent mass (TM) Schrödinger equation. We give the specific transformations to a different time-dependent quadratic Schrödinger equation (TQ) and to a different time-dependent oscillator (TO) equation. For each Schrödinger system, we give the Lie algebra of space-time symmetries, the number states, the squeezed-state and (with their classical motion), (Δx)2, (Δp)2, and the uncertainty product.

  16. DISCOVERY OF RED-SKEWED K {sub {alpha}} IRON LINE IN Cyg X-2 WITH SUZAKU

    SciTech Connect

    Shaposhnikov, Nikolai E-mail: Lev.Titarchuk@nrl.navy.mil E-mail: plaurent@cea.fr

    2009-07-10

    We report on the Suzaku observation of neutron star (NS) low-mass X-ray binary Cygnus X-2 which reveals a presence of the iron K {sub {alpha}} emission line. The line profile shows a significant red wing. This discovery increases the number of NS sources where red-skewed iron lines were observed and strongly suggests that this phenomenon is common not only in black holes but also in other types of accreting compact objects. We examine the line profile in terms of models which attribute its production to the relativistic effects due to reflection of X-ray radiation from a cold accretion disk and also as a result of the line formation in the extended wind/outflow configuration. Both models are able to adequately represent the observed line profile. We consider the results of line modeling in the context of subsecond variability. While we were unable to conclusively disqualify one of the models, we find that the wind paradigm has several advantages over the relativistic disk reflection model.

  17. Chromosomal distribution of two multigene families and the unusual occurrence of an X1X1X2X2/X1X2Y sex chromosome system in the dolphinfish (Coryphaenidae): an evolutionary perspective.

    PubMed

    Soares, R X; Bertollo, L A C; Cioffi, M B; Costa, G W W F; F Molina, W

    2014-04-03

    Dolphinfishes (Coryphaenidae) are pelagic predators distributed throughout all tropical and subtropical oceans and are very important for commercial, traditional, and sport fishing. This small family contains the Coryphaena hippurus and Coryphaena equiselis species whose chromosomal aspects remain unknown, despite recent advances in cytogenetic data assimilation for Perciformes. In this study, both species were cytogenetically analyzed using different staining techniques (C-, Ag-, and CMA3 banding) and fluorescence in situ hybridization, to detect 18S rDNA and 5S rDNA. C. hippurus females exhibit 2n = 48 chromosomes, with 2m+4sm+42a (NF = 54). In C. equiselis, where both sexes could be analyzed, females displayed 2n = 48 chromosomes (2m+6sm+40a) and males exhibited 2n = 47 chromosomes (3m+6sm+38a) (NF = 56), indicating the presence of X1X1X2X2/X1X2Y multiple sex chromosomes. Sex-chromosome systems are rare in Perciformes, with this study demonstrating the first occurrence in a marine pelagic species. It remains unknown as to whether this system extends to other populations; however, these data are important with respect to evolutionary, phylogenetic, and speciation issues, as well as for elucidating the genesis of this unique sex system.

  18. ISS Update: SpaceX 2 Lead Visiting Vehicle Officer Dorrie Tomayko

    NASA Video Gallery

    NASA Public Affairs Officer Brandi Dean conducts an interview with SpaceX 2 Lead Visiting Vehicle Officer Dorrie Tomayko about the second commercial resupply mission to the International Space Stat...

  19. Comparisons of modified Vasco X-2 and AISI 9310 gear steels

    NASA Technical Reports Server (NTRS)

    Townsend, D. P.; Zaretsky, E. V.

    1980-01-01

    Endurance tests were conducted with four groups of spur gears manufactured from three heats of consumable electrode vacuum melted (CVM) modified Vasco X-2. Endurance tests were also conducted with gears manufactured from CVM AISI 9310. Bench type rolling element fatigue tests were conducted with both materials. Hardness measurements were made to 811 K. There was no statistically significant life difference between the two materials. Life differences between the different heats of modified Vasco X-2 can be attributed to heat treat variation and resultant hardness. Carburization of gear flanks only can eliminate tooth fracture as a primary failure mode for modified Vasco X-2. However, a tooth surface fatigue spall can act as a nucleus of a tooth fracture failure for the modified Vasco X-2.

  20. Potent and long-lasting inhibition of human P2X2 receptors by copper

    PubMed Central

    Punthambaker, Sukanya; Hume, Richard I.

    2013-01-01

    P2X receptors are ion channels gated by ATP. In rodents these channels are modulated by zinc and copper. Zinc is co-released with neurotransmitter at some synapses and can modulate neuronal activity, but the role of copper in the brain is unclear. Rat P2X2 receptors show potentiation by 2–100 µM zinc or copper in the presence of a submaximal concentration of ATP but are inhibited by zinc or copper at concentrations above 100 µM. In contrast, human P2X2 (hP2X2) receptors show no potentiation and are strongly inhibited by zinc over the range of 2–100 µM. The effect of copper on hP2X2 is of interest because there are human brain disorders in which copper concentration is altered. We found that hP2X2 receptors are potently inhibited by copper (IC50 = 40 nM). ATP responsiveness recovered extremely slowly after copper washout, with full recovery requiring over 1 h. ATP binding facilitated copper binding but not unbinding from this inhibitory site. A mutant receptor in which the first six extracellular cysteines were deleted, C(1–6)S, showed normal copper inhibition, however reducing agents dramatically accelerated recovery from copper inhibition in wild type hP2X2 and the C(1–6)S mutant, indicating that the final two disulfide bonds are required to maintain the high affinity copper binding site. Three histidine residues required for normal zinc inhibition were also required for normal copper inhibition. Humans with untreated Wilson’s disease have excess amounts of copper in the brain. The high copper sensitivity of hP2X2 receptors suggests that they are non-functional in these patients. PMID:24067922

  1. Density functional study of S(N) 2 substitution reactions for CH(3) Cl + CX(1) X(2•-) (X(1) X(2) = HH, HF, HCl, HBr, HI, FF, ClCl, BrBr, and II).

    PubMed

    Liang, Jun-Xi; Geng, Zhi-Yuan; Wang, Yong-Cheng

    2012-03-05

    A systematic investigation on the S(N) 2 displacement reactions of nine carbene radical anions toward the substrate CH(3) Cl has been theoretically carried out using the popular density functional theory functional BHandHLYP level with different basis sets 6-31+G (d, p)/relativistic effective core potential (RECP), 6-311++G (d, p)/RECP, and aug-cc-pVTZ/RECP. The studied models are CX(1) X(2•-) + CH(3) Cl → X(2) X(1) CH(3) C(•) + Cl(-) , with CX(1) X(2•-) = CH(2) (•-) , CHF(•-) , CHCl(•-) , CHBr(•-) , CHI(•-) , CF(2) (•-) , CCl(2) (•-) , CBr(2) (•-) , and CI(2) (•-) . The main results are proposed as follows: (a) Based on natural bond orbital (NBO), proton affinity (PA), and ionization energy (IE) analysis, reactant CH(2) (•-) should be a strongest base among the anion-containing species (CX(1) X(2•-) ) and so more favorable nucleophile. (b) Regardless of frontside attacking pathway or backside one, the S(N) 2 reaction starts at an identical precomplex whose formation with no barrier. (c) The back-S(N) 2 pathway is much more preferred than the front-S(N) 2 one in terms of the energy gaps [ΔE cent≠(front)-ΔE cent≠(back)], steric demand, NBO population analysis. Thus, the back-S(N) 2 reaction was discussed in detail. On the one hand, based on the energy barriers (ΔE cent≠ and ΔE ovr≠) analysis, we have strongly affirmed that the stabilization of back attacking transition states (b-TSs) presents increase in the order: b-TS-CI(2) < b-TS-CBr(2) < b-TS-CCl(2) < b-TS-CHI < b-TS-CHBr < b-TS-CHCl < b-TS-CF(2) < b-TS-CHF < b-TS-CH(2) . On the other hand, depended on discussions of the correlations of ΔE ovr≠ with influence factors (PA, IE, bond order, and ΔE def≠), we have explored how and to what extent they affect the reactions. Moreover, we have predicted that the less size of substitution (α-atom) required for the gas-phase reaction with α-nucleophile is related to the α-effect and estimated that the reaction

  2. MrgX2 is a high potency cortistatin receptor expressed in dorsal root ganglion.

    PubMed

    Robas, Nicola; Mead, Emma; Fidock, Mark

    2003-11-07

    MrgX2 is a recently identified orphan G-protein-coupled receptor whose ligand and physiological function were unknown. Here we describe cortistatin, a neuropeptide for which no specific receptor has been identified previously, as a high potency ligand at MrgX2. Cortistatin has several biological functions including roles in sleep regulation, locomotor activity, and cortical function. Using a "reverse pharmacology" approach, we have identified a number of additional cyclic peptide agonists for MrgX2, determined their rank order of potency, and demonstrated that this receptor has a pharmacological profile distinct from the other characterized members of the Mrg (Mas-related genes) family. In MrgX2-expressing cells, cortistatin-stimulated increases in intracellular Ca2+ but had no effect on basal or forskolin-stimulated cAMP levels, suggesting that this receptor is Gq-coupled. Immunohistochemical and quantitative PCR studies show MrgX2 to have a limited expression profile, both peripheral and within the central nervous system, with highest levels in dorsal root ganglion.

  3. The Recent Outburst of SMC X-2 as seen by Swift, MAXI and NuSTAR

    NASA Astrophysics Data System (ADS)

    Kennea, Jamie; Coe, Malcolm J.; Laycock, Silas; Bird, Tony; Bartlett, Elizabeth; Townsend, Lee; McBride, Vanessa; Corbet, Robin; Haberl, Frank; Vasilopoulos, Georgios

    2016-04-01

    We present results from the latest outburst of the Be/X-ray binary system SMC X-2, which in late 2015 entered it's first X-ray outburst since 2000. SMC X-2 was first discovered in 1977 by the SAS-3 satellite, and hosts a 2.37s period pulsar. Regular, almost daily, Swift observations of SMC X-2 were performed during the entirety of the latest outburst, from first detection by MAXI to it’s rapid turn off and return back to quiescence. These observations have allowed us to measure with the flux, spectral and temporal properties of SMC X-2. Timing analysis of observation by the Swift X-ray telescope allowed us to track the evolution of the pulsar spin period, and in addition modeling of the orbital parameters of the system by measuring changes in the pulsar spin period due to Doppler effects. In addition we report on an observation of SMC X-2 taken with NuSTAR, which allowed both to better measure the continuum fit above 10 keV, and to perform a sensitive measure of the pulse profile and period of the source.

  4. Stable monolayer honeycomb-like structures of RuX2 (X =S,Se)

    NASA Astrophysics Data System (ADS)

    Ersan, Fatih; Cahangirov, Seymur; Gökoǧlu, Gökhan; Rubio, Angel; Aktürk, Ethem

    2016-10-01

    Recent studies show that several metal oxides and dichalcogenides (M X2) , which exist in nature, can be stable in two-dimensional (2D) form and each year several new M X2 structures are explored. The unstable structures in H (hexagonal) or T (octahedral) forms can be stabilized through Peierls distortion. In this paper, we propose new 2D forms of RuS2 and RuSe2 materials. We investigate in detail the stability, electronic, magnetic, optical, and thermodynamic properties of 2D Ru X2 (X =S,Se) structures from first principles. While their H and T structures are unstable, the distorted T structures (T'-Ru X2) are stable and have a nonmagnetic semiconducting ground state. The molecular dynamic simulations also confirm that T'-Ru X2 systems are stable even at 500 K without any structural deformation. T'-RuS2 and T'-RuSe2 have indirect band gaps with 0.745 eV (1.694 eV with HSE) and 0.798 eV (1.675 eV with HSE) gap values, respectively. We also examine their bilayer and trilayer forms and find direct and smaller band gaps. We find that AA stacking is more favorable than the AB configuration. The new 2D materials obtained can be good candidates with striking properties for applications in semiconductor electronic, optoelectronic devices, and sensor technology.

  5. The role of glucagon-like peptide-2 on apoptosis, cell proliferation, and oxidant-antioxidant system at a mouse model of intestinal injury induced by tumor necrosis factor-alpha/actinomycin D.

    PubMed

    Arda-Pirincci, Pelin; Bolkent, Sehnaz

    2011-04-01

    Tumor necrosis factor-alpha (TNF-α) is a multifunctional cytokine, which has the ability to produce cytotoxicity via induction of cell death and cell cycle arrest. Blocking the synthesis of protective proteins through a transcriptional inhibitor such as actinomycin D (Act D) sensitizes many cell types to TNF-α toxicity. Teduglutide, h[Gly(2)]GLP-2, is a protease-resistant synthetic analog of glucagon-like peptide-2 (GLP-2) which is an intestinotrophic peptide. In this study, we evaluated this potential of GLP-2 on apoptosis, cell proliferation, and oxidant-antioxidant system on a mouse model of intestinal injury induced by TNF-α/Act D. The intestinal injury was induced by intraperitoneal administration of 15 μg/kg TNF-α and 800 μg/kg Act D per mouse. Animals were injected subcutaneously 200 μg/kg h[Gly(2)]GLP-2 every 12 h for 10 consecutive days prior to the administration of TNF-α and Act D. The model of intestinal injury induced by TNF-α/Act D, which is the new animal model for the intestinal disorders, was characterized by the degeneration of intestinal mucosa, an increase in apoptotic index, expression of active caspase-3, lipid peroxidation and glutathione (GSH) levels, glutathione peroxidase (GPx) and superoxide dismutase (SOD) activities; a decrease in cell proliferation and catalase (CAT) activity. h[Gly(2)]GLP-2 pretreatment prevented the TNF-α/Act D-induced oxidative injury by a significant reduction in the intestinal injury, apoptotic index, expression of active caspase-3, lipid peroxidation and GSH levels, GPx and SOD activities; a markedly increase in cell proliferation, and CAT activity. These results demonstrate that GLP-2 has a protective, antiapoptotic, proliferative, and antioxidant effects against to TNF-α/Act D-induced intestinal injury. It is suggested that GLP-2 may potentially be useful as a therapeutic agent in TNF-α-mediated intestinal disorders.

  6. Cationic distribution assisted tuning of magnetic properties of Li0.5-x/2ZnxFe2.5-x/2O4

    NASA Astrophysics Data System (ADS)

    Panchal, S.; Raghuvanshi, S.; Gehlot, K.; Mazaleyrat, F.; Kane, S. N.

    2016-05-01

    Zn addition induced modification of cationic distribution for tuning magnetic properties of Li0.5-x/2ZnxFe2.5-x/2O4 (x = 0, 0.1, 0.25, 0.3, 0.5, 0.7, 0.9, 1.0) powders is studied by x-ray diffraction (XRD) and, magnetic measurements. XRD shows the formation of cubic spinel structure, with Scherrer's grain diameter ranging between 26.7 to 37.8 nm. With Zn addition, oxygen anions are displaced in such a way that the A-B interaction weakens, whereas A-A and B-B interaction strengthens; furthermore it also pushes Fe3+ and Li1+ ions to B site, leading to changes in magnetic properties. Highest saturation magnetization (Ms) of 64.6 A m2 / kg was obtained for sample with x = 0.25 and lowest coercivity (Hc) of 4949.9 A/m was obtained for the sample with x = 0.7. Calculated values of experimental magnetic moment `nB' and Neel magnetic moment `nN', display similar trend as that of Ms. Present results very clearly show a strong correlation between Zn-addition induced changes in cation distribution and magnetic properties, which can be utilized effectively for tuning magnetic properties.

  7. Terahertz spectroscopy of 25MgH (X2Σ+) and (67)ZnH (X2Σ+): bonding in simple metal hydrides.

    PubMed

    Bucchino, Matthew P; Ziurys, Lucy M

    2013-10-03

    Pure rotational spectra of (25)MgH (X(2)Σ(+)) and (67)ZnH (X(2)Σ(+)) were recorded using direct absorption techniques. These free radicals were synthesized by the reaction of metal vapor, generated in a Broida-type oven, with H2 in a dc discharge. The N = 0 → 1 and N = 1 → 2 transitions were recorded for both species in the frequency range 342-789 GHz. Spin-rotation and metal and proton hyperfine interactions were resolved in the spectra. From these data, rotational, fine structure, and hyperfine constants were determined, including the Fermi contact, dipolar, and electric quadrupole parameters of the (25)Mg and (67)Zn nuclei. Comparison of the metal and proton hyperfine terms suggests that the unpaired electron resides in a σ molecular orbital that has significant s contributions from both the metal and the hydrogen atoms. The dipolar terms for both metals are relatively large, in contrast to those of the proton, and indicate spσ and possibly sdσ (zinc only) orbital hybridization. The quadrupole constants arise principally from the p/d orbital character of the unpaired electron, although there is a non-negligible polarization contribution. These results suggest significant covalent character in both MgH and ZnH, in contrast to their fluoride analogs.

  8. Terahertz Spectroscopy of 25MgH (X2Σ+) and 67ZnH (X2Σ+): Bonding in Simple Metal Hydrides

    NASA Astrophysics Data System (ADS)

    Bucchino, Matthew P.; Ziurys, Lucy M.

    2013-10-01

    Pure rotational spectra of 25MgH (X2Σ+) and 67ZnH (X2Σ+) were recorded using direct absorption techniques. These free radicals were synthesized by the reaction of metal vapor, generated in a Broida-type oven, with H2 in a dc discharge. The N = 0 - 1 and N = 1 - 2 transitions were recorded for both species in the frequency range 342-789 GHz. Spin-rotation and metal and proton hyperfine interactions were resolved in the spectra. From these data, rotational, fine structure, and hyperfine constants were determined, including the Fermi contact, dipolar, and electric quadrupole parameters of the 25Mg and 67Zn nuclei. Comparison of the metal and proton hyperfine terms suggests that the unpaired electron resides in a σ molecular orbital that has significant s contributions from both the metal and the hydrogen atoms. The dipolar terms for both metals are relatively large, in contrast to those of the proton, and indicate spσ and possibly sdσ (zinc only) orbital hybridization. The quadrupole constants arise principally from the p/d orbital character of the unpaired electron, although there is a non-negligible polarization contribution. These results suggest significant covalent character in both MgH and ZnH, in contrast to their fluoride analogs.

  9. Crystal Structure of Pseudorhombohedral InFe 1- xTi xO 3+ x/2 ( x=2/3)

    NASA Astrophysics Data System (ADS)

    Michiue, Yuichi; Onoda, Mitsuko; Watanabe, Akiteru; Watanabe, Mamoru; Brown, Francisco; Kimizuka, Noboru

    2002-02-01

    The structure of pseudorhombohedral-type InFe1-xTixO3-x/2 (x=2/3) was refined by Rietveld profile fitting. The crystal is a commensurate member of a series in a solution range on InFeO3-In2Ti2O7 including incommensurate structures. The structure with the unit cell of a=5.9188(1), b=10.1112(2), and c=6.3896(1) Å, β=108.018(2)°, and a space group P21/a is the alternate stacking of an edge-shared InO6 octahedral layer and an Fe/Ti-O plane along c*. Metal sites on the Fe/Ti-O plane are surrounded by four oxygen atoms on the Fe/Ti-O plane and two axial ones. Electric conductivities of the order 10-4 S/cm were observed for the samples at 1000 K, while the oxide ion transport number is almost zero as no electromotive force was detected by an oxygen concentration cell.

  10. Toxicological Assessment of ISS Air Quality: SpaceX-2 First Ingress

    NASA Technical Reports Server (NTRS)

    Meyers, Valerie

    2013-01-01

    One mini-grab sample container (M-GSC) was collected by crew members onboard ISS during first ingress into SpaceX-2 on March 3, 2013, three days after late cargo loading and a pre-launch clean air purge. Recoveries of the three surrogate standards from the m-GSC were: 13C-acetone, 97%; fluorobenzene, 95%; and chlorobenzene, 68%.

  11. Bayesian Procedures for Prediction Analysis of Implication Hypotheses in 2 X 2 Contingency Tables.

    ERIC Educational Resources Information Center

    Lecoutre, Bruno; Charron, Camilo

    2000-01-01

    Illustrates procedures for prediction analysis in 2 X 2 contingency tables through the analyses of solutions of six types of problems associated with the acquisition of fractions. Reviews and extends confidence interval procedures previously proposed for an index of predictive efficiency of implication hypotheses. Compares frequentist coverage…

  12. Cohen's Linearly Weighted Kappa Is a Weighted Average of 2 x 2 Kappas

    ERIC Educational Resources Information Center

    Warrens, Matthijs J.

    2011-01-01

    An agreement table with [n as an element of N is greater than or equal to] 3 ordered categories can be collapsed into n - 1 distinct 2 x 2 tables by combining adjacent categories. Vanbelle and Albert ("Stat. Methodol." 6:157-163, 2009c) showed that the components of Cohen's weighted kappa with linear weights can be obtained from these n - 1…

  13. 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

  14. Gender Differences in the Factor Structure of the 2x2 Achievement Goal Framework

    ERIC Educational Resources Information Center

    Alkharusi, Hussain; Aldhafri, Said

    2010-01-01

    The present study examined gender differences in the factor structure of the 2x2 achievement goal framework using a multi-sample invariance analysis. A total of 117 male and 125 female undergraduate teacher education students completed Elliot and Murayama's (2008) Achievement Goal Questionnaire-Revised (AGQ-R). Results provided empirical evidence…

  15. Understanding Student Goal Orientation Tendencies to Predict Student Performance: A 2x2 Achievement Goal Orientation

    ERIC Educational Resources Information Center

    Miller, Mark Alan

    2013-01-01

    The study tested the 2X2 model of the Achievement Goal Orientation (AGO) theory in a military technical training environment while using the Air Force Officers Qualifying Test's academic aptitude score to control for the differences in the students' academic aptitude. The study method was quantitative and the design was correlational.…

  16. Window types: (from left to right) Pair of 2x2 multipaned ...

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

    Window types: (from left to right) Pair of 2x2 multipaned steel casements; triplet of 1x4 multipaned steel casements (center panel fixed); 1x3 multipaned steel casements. Building 20, facing southwest - Harbor Hills Housing Project, 26607 Western Avenue, Lomita, Los Angeles County, CA

  17. Window type: paired 3x2 multipaned steel window flanked by 1x3 ...

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

    Window type: paired 3x2 multipaned steel window flanked by 1x3 multipaned steel casements, breaking building corner. Broad overhanging eave also illustrated. Second story detail. Building 13, facing east - Harbor Hills Housing Project, 26607 Western Avenue, Lomita, Los Angeles County, CA

  18. Procrastination and the 2 x 2 Achievement Goal Framework in Malaysian Undergraduate Students

    ERIC Educational Resources Information Center

    Ganesan, Rajalakshmi; Mamat, Norul Hidayah Bt; Mellor, David; Rizzuto, Laura; Kolar, Christina

    2014-01-01

    The present study investigated academic procrastination in the context of the 2 x 2 goal achievement theoretical framework within a population of 450 Malaysian undergraduate students, aged 18 to 25 years. Participants completed the Achievement Goal Questionnaire and the Tuckman Procrastination Test. Approach dimensions of both the mastery and…

  19. Extending the 2 x 2 Achievement Goal Framework: Development of a Measure of Scientific Achievement Goals

    ERIC Educational Resources Information Center

    Deemer, Eric D.; Carter, Alice P.; Lobrano, Michael T.

    2010-01-01

    The current research sought to extend the 2 x 2 achievement goal framework by developing and testing the Achievement Goals for Research Scale (AGRS). Participants (N = 317) consisted of graduate students in the life, physical, and behavioral sciences. A principal components analysis (PCA) extracted five components accounting for 72.59% of the…

  20. SWIFT MONITORING OF CYGNUS X-2: INVESTIGATING THE NEAR-ULTRAVIOLET-X-RAY CONNECTION

    SciTech Connect

    Rykoff, E. S.; Cackett, E. M.; Miller, J. M.

    2010-08-20

    The neutron star X-ray binary (NSXRB) Cyg X-2 was observed by the Swift satellite 51 times over a 4 month period in 2008 with the X-ray Telescope (XRT), UV/optical telescope, and Burst Alert Telescope (BAT) instruments. During this campaign, we observed Cyg X-2 in all three branches of the Z track (horizontal, normal, and flaring branches). We find that the NUV emission is uncorrelated with the soft X-ray flux detected with the XRT and is anticorrelated with the BAT X-ray flux and the hard X-ray color. The observed anticorrelation is inconsistent with simple models of reprocessing as the source of the NUV emission. The anticorrelation may be a consequence of the high inclination angle of Cyg X-2, where NUV emission is preferentially scattered by a corona that expands as the disk is radiatively heated. Alternatively, if the accretion disk thickens as Cyg X-2 goes down the normal branch toward the flaring branch, this may be able to explain the observed anticorrelation. In these models, the NUV emission may not be a good proxy for m-dot in the system. We also discuss the implications of using Swift/XRT to perform spectral modeling of the continuum emission of NSXRBs.

  1. The 2 x 2 Model of Perfectionism: A Comparison across Asian Canadians and European Canadians

    ERIC Educational Resources Information Center

    Franche, Veronique; Gaudreau, Patrick; Miranda, Dave

    2012-01-01

    The 2 x 2 model of perfectionism posits that the 4 within-person combinations of self-oriented and socially prescribed perfectionism (i.e., pure SOP, mixed perfectionism, pure SPP, and nonperfectionism) can be distinctively associated with psychological adjustment. This study examined whether the relationship between the 4 subtypes of…

  2. Crossed beam reactions of the phenyl (C6H5; X(2)A1) and phenyl-d5 radical (C6D5; X(2)A1) with 1,2-butadiene (H2CCCHCH3; X(1)A').

    PubMed

    Yang, Tao; Parker, Dorian S N; Dangi, Beni B; Kaiser, Ralf I; Kislov, Vadim V; Mebel, Alexander M

    2014-06-26

    We explored the reactions on the phenyl (C6H5; X(2)A1) and phenyl-d5 (C6D5; X(2)A1) radical with 1,2-butadiene (C4H6; X(1)A') at a collision energy of about 52 ± 3 kJ mol(-1) in a crossed molecular beam apparatus. The reaction of phenyl with 1,2-butadiene is initiated by adding the phenyl radical with its radical center to the π electron density at the C1/C3 carbon atom of 1,2-butadiene. Later, the initial collision complexes isomerize via phenyl group migration from the C1/C3 carbon atoms to the C2 carbon atom of the allene moiety of 1,2-butadiene. The resulting intermediate undergoes unimolecular decomposition through hydrogen atom emission from the methyl group of the 1,2-butadiene moiety via a rather loose exit transition state leading to 2-phenyl-1,3-butadiene in an overall exoergic reaction (ΔRG = -72 ± 10 kJ mol(-1)). This finding reveals the strong collision-energy dependence of this system when the data are compared with those of the phenyl radical with 1,2-butadiene previously recorded at collision energies up to 160 kJ mol(-1), with the previous study exhibiting the thermodynamically less stable 1-phenyl-3-methylallene (ΔRG = -33 ± 10 kJ mol(-1)) and 1-phenyl-2-butyne (ΔRG = -24 ± 10 kJ mol(-1)) to be the dominant products.

  3. Propeller Effect in the Transient X-Ray Pulsar SMC X-2

    NASA Astrophysics Data System (ADS)

    Lutovinov, Alexander A.; Tsygankov, Sergey S.; Krivonos, Roman A.; Molkov, Sergey V.; Poutanen, Juri

    2017-01-01

    We report the results of the monitoring campaign of the transient X-ray pulsar SMC X-2 performed with the Swift/XRT telescope over the period of 2015 September–2016 January during the Type II outburst. During this event, the bolometric luminosity of the source ranged from ≃1039 down to several ×1034 erg s‑1. Moreover, we discovered its dramatic drop by a factor of more than 100 below the limiting value of {L}{lim}≃ 4× {10}36 erg s‑1, which can be interpreted as a transition to the propeller regime. These measurements make SMC X-2 the sixth pulsating X-ray source where such a transition is observed and allow us to estimate the magnetic field of the neutron star in the system B ≃ 3 × 1012 G, which is in agreement with independent results of the spectral analysis.

  4. Anisotropy of the superconducting properties of misfit layer compounds (MX) n(NbX 2) m

    NASA Astrophysics Data System (ADS)

    Monceau, P.; Chen, J.; Laborde, O.; Briggs, A.; Auriel, C.; Roesky, R.; Meerschaut, A.; Rouxel, J.

    1994-02-01

    We have synthetized new compounds of the misfit layer family of general formula (MX) n(NbX 2) m with X:S, Se, M: Pb, Sn, rare earth metals, 1.1 X 2) n is of prime importance for the occurence of superconductivity. Anisotropy in the superconducting state has been measured by angular magnetoresistance. Superconductivity in the compound “LaNb 2Se 5” has an extreme anisotropic character that in addition with the structural incommensurability allows a direct comparison with high T c oxides.

  5. EuFe2(As(1-x)P(x))2: reentrant spin glass and superconductivity.

    PubMed

    Zapf, S; Jeevan, H S; Ivek, T; Pfister, F; Klingert, F; Jiang, S; Wu, D; Gegenwart, P; Kremer, R K; Dressel, M

    2013-06-07

    By systematic investigations of the magnetic, transport, and thermodynamic properties of single crystals of EuFe(2)(As(1-x)P(x))(2) (0≤x≤1), we explore the complex interplay of superconductivity and Eu(2+) magnetism. Below 30 K, two magnetic transitions are observed for all P substituted crystals, suggesting a revision of the phase diagram. In addition to the canted A-type antiferromagnetic order of Eu(2+) at ∼20  K, a spin glass transition is discovered at lower temperatures. Most remarkably, the reentrant spin glass state of EuFe(2)(As(1-x)P(x))(2) coexists with superconductivity around x≈0.2.

  6. Design and construction of the X-2 two-stage free piston driven expansion tube

    NASA Technical Reports Server (NTRS)

    Doolan, Con

    1995-01-01

    This report outlines the design and construction of the X-2 two-stage free piston driven expansion tube. The project has completed its construction phase and the facility has been installed in the new impulsive research laboratory where commissioning is about to take place. The X-2 uses a unique, two-stage driver design which allows a more compact and lower overall cost free piston compressor. The new facility has been constructed in order to examine the performance envelope of the two-stage driver and how well it couple to sub-orbital and super-orbital expansion tubes. Data obtained from these experiments will be used for the design of a much larger facility, X-3, utilizing the same free piston driver concept.

  7. Prediction of intrinsic motivation and sports performance using 2 x 2 achievement goal framework.

    PubMed

    Li, Chiung-Huang; Chi, Likang; Yeh, Suh-Ruu; Guo, Kwei-Bin; Ou, Cheng-Tsung; Kao, Chun-Chieh

    2011-04-01

    The purpose of this study was to examine the influence of 2 x 2 achievement goals on intrinsic motivation and performance in handball. Participants were 164 high school athletes. All completed the 2 x 2 Achievement Goals Questionnaire for Sport and the Intrinsic Motivation subscale of the Sport Motivation Scale; the coach for each team rated his athletes' overall sports performance. Using simultaneous-regression analyses, mastery-approach goals positively predicted both intrinsic motivation and performance in sports, whereas performance-avoidance goals negatively predicted sports performance. These results suggest that athletes who pursue task mastery and improvement of their competence perform well and enjoy their participation. In contrast, those who focus on avoiding normative incompetence perform poorly.

  8. Hyperfine specific heats of PrX 2 ( X = Ir, Pt, Rh, Ru) laves phase compounds

    NASA Astrophysics Data System (ADS)

    Greidanus, F. J. A. M.; de Jongh, L. J.; Huiskamp, W. J.; Buschow, K. H. J.

    1980-01-01

    Specific heat data below 1 K for the C-15 compounds PrX 2 (X = Ir, Pt, Rh, Ru) reveal Schottky-type anomalies, ascribed to hyperfine interactions. Apparently the 4f-moments are magnetically ordered. The values deduced for these moments are only ≈ 70% of that for J = 4, indicating that the Pr 3+ moment is partially quenched by the crystal field.

  9. Summary geochemical maps of the Harrison 1° x 2° quadrangle, Arkansas and Missouri

    USGS Publications Warehouse

    Erickson, R.L.; Chazin, Barbara; Erickson, M.S.

    1989-01-01

    Geochemical studies of the Harrison lo x 2° quadrangle, Arkansas and Missouri, are part of a joint multidisciplinary study by the U.S. Geological Survey; the Division of Geology and Land Survey, Missouri Department of Natural Resources; and the Arkansas Geological Commission. The objective of the joint study is to assess the mineral-resource potential of the area by integrated geologic, geochemical, and geophysical investigations.

  10. The low-mass X-ray binary LMC X-2

    SciTech Connect

    Crampton, D.; Hutchings, J.B.; Cowley, A.P.; Schmidtke, P.C.; Thompson, I.B. Arizona State Univ., Tempe Mount Wilson and Las Campanas Observatories, Pasadena, CA )

    1990-06-01

    Spectroscopic and photometric observations of LMC X-2 reveal the source to be an X-ray binary with a relatively long orbital period, probably 12.5 days. It appears to be a partially eclipsing system. It is one of a small subclass of low-mass X-ray binaries with longer orbital periods and higher X-ray luminosity than average, which contain a compact object accreting material from an evolving giant companion. 26 refs.

  11. Missile Electronic Equipment Career Ladder, AFSC 411XOA (Formerly AFSC 316X2G).

    DTIC Science & Technology

    1986-03-01

    Plan of Instruction ........ ........ 31 Analysis of Equipment Used at the Technicai School....... 36 ELECTRONICS PRINCIPLES INVENTORY...two courses at Chanute AFB IL: Electronics Principles Course AQR31020-0O2, Blocks I through IX, followed by one of two separate airman basic resident...Blocks I through IV of Electronics Principles Course AQR31020- 002 before advancing to the ABR courses. Secondly, the former 316X2G ABR courses were

  12. X2 Utilization and Training Survey: 1989. Volume 1. Introduction, Methods, and Major Policy Issues

    DTIC Science & Technology

    1990-06-01

    block number) FIELD GROUP SUB-GROUP Pexanded dental functions; dental hygiene; dental hygiensts;. training; utilization e -2&&¢Y4y.S . - 19. ABSTRACT...of 91EX2s (preventive dentistry specialists with expanded dental functions). Five study populations were surveyed, including (1) DENAC comanders, (2...self-administered questionnaires. Findings show a shortage of dental hygienists in the Army, especially in CO-US assignments, a consensus for longer X2

  13. Entanglement monogamy inequality in a 2 x 2 x 4 system

    SciTech Connect

    Ren Xijun; Jiang Wei

    2010-02-15

    In this report, we show explicitly that the tangles of an arbitrary pure state in a 2 x 2 x 4 system satisfy the monogamy relation. This relation is also generalized to mixed states. As the tangle is always larger than the square of the concurrence, our result implies that the monogamy relation holds for concurrence too. It also supports the idea that the tangle could qualify as an elementary bipartite entanglement measure.

  14. Collisional metastability of high rotational states of CN(X 2Σ +, ? = 0)

    NASA Astrophysics Data System (ADS)

    Hay, S.; Shokoohi, F.; Callister, S.; Wittig, C.

    1985-07-01

    CN(X 2Σ +, v'' = 0) high rotational states relax slowly via 300 K collisions with Ar and Kr. Relaxation decreases with increasing rotation, and the partially relaxed distributions are bimodal, with low N'' thermalized (300 K), and N'' = 80 unrelaxed after 1000 collisions. Relaxation by N 2, CO, and Xe is similar to Ar and Kr, but more efficient. He and NO remove many quanta in a single collision.

  15. Thermostimulated luminescence of Ca(Al x Ga1- x )2S4Eu2+ crystals

    NASA Astrophysics Data System (ADS)

    Asadov, E. G.; Kazimova, F. A.; Ibragimova, T. Sh.; Tagiev, K. O.

    2017-02-01

    Thermoluminescence of Ca(AlxGa1-x)2S4:Eu2+ ( x = 0.1-0.3) solid solutions upon UV irradiation has been studied in the course of linear heating. It is established that the observed thermostimulated emission bands are complex, consisting of several strongly overlapped partial maxima. The activation energies, capture cross sections, frequency factors, and concentrations of trap levels responsible for these peaks are determined. The emission intensity and number of components increase with growing aluminum content x.

  16. Systematic investigation of the molecular behaviors of heterofullerenes C 48X 2 (X=B, N)

    NASA Astrophysics Data System (ADS)

    Xu, Xiufang; Xing, Yumei; Shang, Zhenfeng; Wang, Guichang; Cai, Zunsheng; Pan, Yinming; Zhao, Xuezhuang

    2003-02-01

    A systematic investigation on all possible substituted fullerene isomers of C 48B 2 and C 48N 2 has been performed using the semiempirical methods AM1 and MNDO. The equilibrium geometrical structures, heats of formation, strain, aromaticity, HOMO-LUMO energy gaps, ionization potentials, electronic affinities, the absolute hardness and electronegativity have been studied. The results indicate that the isomer-78, which corresponds to 1,4-substitution in the six-membered ring located on the equator, is the most stable isomer for both C 48B 2 and C 48N 2. The driving force governing the stabilities of the present studied C 48X 2 (X=B, N) isomers is the strain being inherent in the C 50 cage. The contribution of the conjugation effect to the stabilization is not able to compete with that of the strain. From an application of the HSAB principle, the absolute hardness of the more stable isomers of both C 48B 2 and C 48N 2 are larger than that of C 50, and the direction of electron flow for forming a complex among them may be C 48N 2→C 50→C 48B 2 according to the calculated absolute electronegativity. The more stable C 48X 2 isomers have larger ionization potentials and smaller electronic affinities compared with C 50, which suggests that it is more difficult to oxidize and reduce C 48X 2, i.e., the redox characteristics of C 50 can be weakened by doping. The vibrational spectra and electronic absorption spectra of these substituted fullerenes have been calculated, which could serve as a framework to interpret future experimental results. The computed nucleus independent chemical shifts (NICS) values also provide a basis for the possible characterization of these C 48X 2 isomers.

  17. Constraining the dipolar magnetic field of M82 X-2 by the accretion model

    NASA Astrophysics Data System (ADS)

    Chen, Wen-Cong

    2017-02-01

    Recently, ultraluminous X-ray source (ULX) M82 X-2 has been identified to be an accreting neutron star, which has a P = 1.37 s spin period, and is spinning up at a rate dot{P}=-2.0× 10^{-10} s s^{-1}. Interestingly, its isotropic X-ray luminosity Liso = 1.8 × 1040 erg s- 1 during outbursts is 100 times the Eddington limit for a 1.4 M⊙ neutron star. In this Letter, based on the standard accretion model we attempt to constrain the dipolar magnetic field of the pulsar in ULX M82 X-2. Our calculations indicate that the accretion rate at the magnetospheric radius must be super-Eddington during outbursts. To support such a super-Eddington accretion, a relatively high multipole field ( ≳ 1013 G) near the surface of the accretor is invoked to produce an accreting gas column. However, our constraint shows that the surface dipolar magnetic field of the pulsar should be in the range of 1.0-3.5 × 1012 G. Therefore, our model supports that the neutron star in ULX M82 X-2 could be a low-magnetic-field magnetar (proposed by Tong) with a normal dipolar field (˜1012 G) and relatively strong multipole field. For the large luminosity variations of this source, our scenario can also present a self-consistency interpretation.

  18. Examining Dual Meanings of Items in 2 x 2 Achievement Goal Questionnaires through MTMM Modeling and MDS Approach

    ERIC Educational Resources Information Center

    Wu, Chia-Huei; Chen, Lung Hung

    2010-01-01

    In 2001, Elliot and McGregor proposed a 2 x 2 (mastery-performance x approach- avoidance) achievement goal frameworks and developed a questionnaire to measure four goals (mastery-approach, mastery-avoidance, performance-approach, and performance-avoidance goals). This study examines the dual meanings of items in 2 x 2 achievement goal…

  19. Resonances in rotationally inelastic scattering of OH(X2Π) with helium and neon.

    PubMed

    Gubbels, Koos B; Ma, Qianli; Alexander, Millard H; Dagdigian, Paul J; Tanis, Dick; Groenenboom, Gerrit C; van der Avoird, Ad; van de Meerakker, Sebastiaan Y T

    2012-04-14

    We present detailed calculations on resonances in rotationally and spin-orbit inelastic scattering of OH (X(2)Π, j = 3/2, F(1), f) radicals with He and Ne atoms. We calculate new ab initio potential energy surfaces for OH-He, and the cross sections derived from these surfaces compare well with the recent crossed beam scattering experiment of Kirste et al. [Phys. Rev. A 82, 042717 (2010)]. We identify both shape and Feshbach resonances in the integral and differential state-to-state scattering cross sections, and we discuss the prospects for experimentally observing scattering resonances using Stark decelerated beams of OH radicals.

  20. New coplanar waveguide feed network for 2 x 2 linearly tapered slot antenna subarray

    NASA Technical Reports Server (NTRS)

    Simons, Rainee N.; Perl, Thomas D.; Lee, Richard Q.

    1992-01-01

    A novel feed method is presently demonstrated for a 2 x 2 linearly tapered slot antenna (LTSA) on the basis of a coplanar-waveguide (CPW)-to-slotline transition and a coax-to-CPW in-phase, four-way power divider. The LTSA subarray exhibits excellent radiation patterns and return-loss characteristics at 18 GHz, and has symmetric beamwidth; its compactness renders it applicable as either a feed for a reflector antenna or as a building-block for large arrays.

  1. Credit WCT. Original 2A" x 2M" color negative is housed ...

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

    Credit WCT. Original 2-A" x 2-M" 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

  2. Supramolecular Co(II)-[2 x 2] grids: metamagnetic behavior in a single molecule.

    PubMed

    Waldmann, Oliver; Ruben, Mario; Ziener, Ulrich; Müller, Paul; Lehn, Jean M

    2006-08-07

    The magnetic anisotropy of the supramolecular [2 x 2] grid [Co(II)4L4]8+, with a bis(bipyridyl)-pyrimidine-based ligand L, was investigated by single-crystal magnetization measurements at low temperatures. The magnetization curves exhibit metamagnetic-like behavior and are explained by the weak-exchange limit of a minimal spin Hamiltonian including Heisenberg exchange, easy-axis ligand fields, and the Zeeman term. It is also shown that the magnetic coupling strength can be varied by the substituent R1 in the two-position on the central pyrimidine group of the ligand L.

  3. 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

  4. Diffusion of high magnetic field in (V 1- xCr x) 2O 3

    NASA Astrophysics Data System (ADS)

    Kudasov, Yu. B.; Makarov, I. V.; Pavlov, V. N.

    2001-01-01

    The penetration of a high magnetic field into a substance that undergoes a metal-insulator phase transition of the first order under Joule heating is discussed. This phenomenon can be used in high-current opening switches. (V 1- xCr x) 2O 3 is taken as a model substance. An analytical treatment of stationary diffusion as well as a numerical analysis are presented. The development of thermomagnetic instabilities of the metal-insulator phase boundary is investigated. It is shown that a switching time of order of few microseconds can be achieved.

  5. Electronic and dielectric properties of MoS2-MoX2 heterostructures

    NASA Astrophysics Data System (ADS)

    Sharma, Munish; Jamdagni, Pooja; Kumar, Ashok; Ahluwalia, P. K.

    2015-05-01

    We present a comparative study of electronic and dielectric properties of MoS2-MoX2 heteostructures (where X=S, Se, Te) within the framework of density functional theory (DFT). Electronic band structure, real & imaginary part of dielectric function, electron energy loss spectra and static dielectric constant have been calculated for each system and compared with one another. A systematic decrease/increase in band gap/static dielectric constant is observed as the X changes from S to Te. These results provide a physical basis for the potential applications of these heterostructures in optoelectronic devices.

  6. Operating manual holographic interferometry system for 2 x 2 foot transonic wind tunnel

    NASA Technical Reports Server (NTRS)

    Craig, J. E.

    1981-01-01

    A holographic interferometer system was installed in a 2X2 foot transonic wind tunnel. The system incorporates a modern, 10 pps, Nd:YAG pulsed laser which provides reliable operation and is easy to align. The spatial filtering requirements of the unstable resonator beam are described as well as the integration of the system into the existing Schieren system. A two plate holographic interferometer is used to reconstruct flow field data. For static wind tunnel models the single exposure holograms are recorded in the usual manner; however, for dynamic models such as oscillating airfoils, synchronous laser hologram recording is used.

  7. A perturbation theory guide to open-shell complexes: OH-Ar(X 2Π)

    NASA Astrophysics Data System (ADS)

    Green, William H., Jr.; Lester, Marsha I.

    1992-02-01

    Perturbation theory is used to understand the experimentally observed stimulated emission spectra of OH-Ar(X 2Π). A useful zero-order Hamiltonian for an open-shell van der Waals complex is presented, and the most important perturbation terms are identified: rotational decoupling ( jṡs), Renner-Teller coupling (V̂2), and a Coriolis interaction (Jṡj). This treatment reveals those parts of the Hamiltonian which are responsible for various unusual features in the spectra of open-shell complexes, such as the large parity splittings in certain vibrational bands and spin-orbit-induced predissociation of the OH-Ar(X 2Π) complex. The magnitude of the parity splitting is shown to be directly proportional to the change in the intermolecular potential when the odd electron in the free radical lies in or out of the O-H-Ar plane, the A' and A` surfaces. The measured splitting is used to infer the magnitude of the difference between the A' and A` potential-energy surfaces (˜12 cm-1) in the region sampled by the first excited bend.

  8. Synthesis, characterization and chemical stability of silicon dichalcogenides, Si(SexS1-x)2

    NASA Astrophysics Data System (ADS)

    Chen, Chen; Zhang, Xiaotian; Krishna, Lakshmi; Kendrick, Chito; Shang, Shun-Li; Toberer, Eric; Liu, Zi-Kui; Tamboli, Adele; Redwing, Joan M.

    2016-10-01

    Silicon dichalcogenides have an intriguing crystal structure consisting of long tetrahedral chains held together by van der Waals forces but the electronic and optical properties have been less explored. In the present work, bulk SiSe2, SiS2, and Si(SexS1-x)2 were synthesized by the congruent melt growth method and characterized by Raman spectroscopy, X-ray Diffraction and UV/visible/IR transmission measurements supported by first-principles calculations. First-principles calculations reveal a nearly linear decrease of band gap energy in Si(SexS1-x)2 with increasing Se content, i.e., from SiS2 to SiSe2 which corresponds with a blue-shift in the transmission spectra from bulk SiSe2 to Si(Se0.6S0.4)2, and to SiS2. Air stability tests demonstrate the formation of toxic H2Se/H2S gas from sample oxidation at room temperature upon exposure to ambient air, and great care should be paid when handling these materials.

  9. Delineating the Biosynthesis of Gentamicin X2, the Common Precursor of the Gentamicin C Antibiotic Complex

    PubMed Central

    Huang, Chuan; Huang, Fanglu; Moison, Eileen; Guo, Junhong; Jian, Xinyun; Duan, Xiaobo; Deng, Zixin; Leadlay, Peter F.; Sun, Yuhui

    2015-01-01

    Summary Gentamicin C complex is a mixture of aminoglycoside antibiotics used worldwide to treat severe Gram-negative bacterial infections. Despite its clinical importance, the enzymology of its biosynthetic pathway has remained obscure. We report here insights into the four enzyme-catalyzed steps that lead from the first-formed pseudotrisaccharide gentamicin A2 to gentamicin X2, the last common intermediate for all components of the C complex. We have used both targeted mutations of individual genes and reconstitution of portions of the pathway in vitro to show that the secondary alcohol function at C-3″ of A2 is first converted to an amine, catalyzed by the tandem operation of oxidoreductase GenD2 and transaminase GenS2. The amine is then specifically methylated by the S-adenosyl-l-methionine (SAM)-dependent N-methyltransferase GenN to form gentamicin A. Finally, C-methylation at C-4″ to form gentamicin X2 is catalyzed by the radical SAM-dependent and cobalamin-dependent enzyme GenD1. PMID:25641167

  10. Adsorption of water on O(2x2)/Ru(0001): thermal stability and inhibition of dissociation by H2O-O bonding

    SciTech Connect

    Mugarza, Aitor; Shimizu, Tomoko; Cabrera-Sanfelix, Pepa; Sanchez-Portal, Daniel; Arnau, Andres; Salmeron, Miquel

    2008-08-01

    The effect of preadsorbed oxygen on the subsequent adsorption and reactions of water on Ru(0001) has been studied using low temperature scanning tunneling microscopy and DFT calculations. Experiments were carried out for O coverages close to 0.25 ML. It was found that no dissociation of water takes place up to the desorption temperature of {approx}180-230 K. DFT calculations show that intact water on O(2x2)/Ru(0001) is {approx} 0.49 eV more stable than the dissociation products, H and OH, at their preferred fcc and top adsorption sites.

  11. Discovery of the Red-Skewed K-alpha Iron Line in Cyg X-2 with Suzaku

    NASA Technical Reports Server (NTRS)

    Shaposhnikov, Nikolai; Titarchuk, Lev; Laurent, Philippe

    2008-01-01

    We report on the Suzaku observation of neutron star low-mass X-ray binary Cygnus X-2 which reveals strong iron K-alpha emission line. The line profile shows a prominent red wing extending down to 4 keV. This discovery increases the number of neutron star sources where red-skewed iron lines were observed and strongly suggests that this phenomenon is common not only in black holes but also in other types of compact objects. We examine the line profile by fitting it with the model which attributes its production to the relativistic effects due to disk reflection of X-ray radiation. We also apply an alternative model where the red wing is a result of down-scattering effect of the first order with respect to electron velocity in the wind outflow. Both models describe adequately the observed line profile. However, the X-ray variability in a state similar to that in the Suzaku observation which we establish by analysing RXTE observation favors the wind origin of the line formation.

  12. Computational study of the equilibrium geometry and anharmonic vibrational spectra of PbX2 ··· NO and PbX2 ··· ON (X = F, Cl, Br, I) complexes

    NASA Astrophysics Data System (ADS)

    Kowal, Andrzej T.

    2010-06-01

    Equilibrium geometry parameters of the open shell PbX2 ... NO and PbX2 ... ON (X = F, Cl, Br, I) complexes have been computed by second-order Z-averaged perturbation theory (ZAPT2) with Stevens-Basch-Krauss-Jasien-Cundari (SBKJC) scalar-relativistic effective core potentials (RECP) and basis sets on all atoms. Equilibrium geometries of both PbX2 ... NO and PbX2 ... ON bonding isomers conform to Cs symmetry structure with end-on ligand coordination, and are characterized by Pb-N bond length within 266.6-271.7 pm range, Pb-O distance of 267.8-275.8 pm, Pb-N-O angle within 109.2-120.7° range, and Pb-O-N angle of 117.1-127.8°. Anharmonic vibrational spectra of the PbX2 ... NO and PbX2 ... ON complexes have been calculated by direct correlation-corrected vibrational self-consistent field (CC-VSCF) method enhanced with second-order perturbative correction using potential energy surfaces (PESs) determined at ZAPT2/SBKJC+(d) level in curvilinear (internal) coordinates. Fundamental ν(Pb-N) stretching mode has been computed at 232.8 to 209.0 cm-1 within PbX2 ... NO series. whereas ν(Pb-O) stretching mode fundamental evaluation in PbX2 ... ON series afforded wavenumbers within 183.2-150.7 cm-1 range. Blue shift of the ν(N=O) stretching mode wavenumber upon PbX2 ... NO complex formation, computed in anharmonic approximation, 15.8-14.6 cm-1, correctly reproduces the effect observed in the low-temperature Ar matrix spectra of PbX2 ... NO compounds. Influence of complex formation on the νs(Pb-X) and νas(Pb-X) fundamentals of PbX2 halides has also been discussed. Two-dimensional mapping of the ? (Qi , Qj ) mode-mode coupling potential has been used to rationalize the origin of mode coupling related anharmonic corrections.

  13. Endurance and failure characteristics of modified Vasco X-2, CBS 600 and AISI 9310 spur gears. [aircraft construction materials

    NASA Technical Reports Server (NTRS)

    Townsend, D. P.; Zaretsky, E. V.

    1980-01-01

    Gear endurance tests and rolling-element fatigue tests were conducted to compare the performance of spur gears made from AISI 9310, CBS 600 and modified Vasco X-2 and to compare the pitting fatigue lives of these three materials. Gears manufactured from CBS 600 exhibited lives longer than those manufactured from AISI 9310. However, rolling-element fatigue tests resulted in statistically equivalent lives. Modified Vasco X-2 exhibited statistically equivalent lives to AISI 9310. CBS 600 and modified Vasco X-2 gears exhibited the potential of tooth fracture occurring at a tooth surface fatigue pit. Case carburization of all gear surfaces for the modified Vasco X-2 gears results in fracture at the tips of the gears.

  14. The Fourier Transform Microwave/millimeter Spectrum of ScO (X^2Σ^+)

    NASA Astrophysics Data System (ADS)

    Halfen, D. T.; Min, J.; Ziurys, L. M.

    2013-06-01

    The pure rotational spectra of ScO (X^2Σ^+) have been recorded in the 4 - 90 GHz range using Fourier transform microwave/millimeter (FTM/mmW) techniques. This species was created in a supersonic jet expansion of laser-ablated scandium vapor and N_2O gas, diluted in argon. The N = 1 → 0 and 2 → 1 rotational transitions in both v = 0 and 1 have been measured near 30 and 61 GHz, respectively. The data over 60 GHz were obtained using a new E-band (60 - 90 GHz) FTmmW spectrometer system. The data have been analyzed, and rotational, fine, and hyperfine constants have been determined, which are in good agreement with those from past optical studies. ScO is a potential circumstellar molecule in giant/supergiant stars, where it is produced in oxygen-burning nucleosynthesis.

  15. [How I explore the various statistical facets of 2 x 2 tables in medicine].

    PubMed

    Albert, A

    2013-09-01

    In the medical scientific literature, 2 x 2 contingency tables are widely used to display the distribution of binary data. They are associated with the definition of basic concepts in medicine and epidemiology that are universally utilized. They are usually taught in any basic course in biostatistics early in the medical curriculum; their interpretation however is not always straightforward. We have discerned at least eight different facets of such fourfold tables: homogeneity test, independence test, McNemar test, Cohen kappa coefficient, incidence relative risk, prevalence relative risk, odds ratio, diagnostic value of a clinical test. Each facet is illustrated by a clinical problem used as an example. This article should help the reader to understand which table he/she is actually dealing with.

  16. Rotational spectrum of the AgS radical in the X2Πi state

    NASA Astrophysics Data System (ADS)

    Okabayashi, Toshiaki; Oya, Atsushi; Yamamoto, Takuya; Mizuguchi, Den-ichiro; Tanimoto, Mitsutoshi

    2016-11-01

    The rotational spectrum of the AgS radical in the X2Πi state was observed using a source-modulation microwave spectrometer. This radical was generated in a free-space cell by a DC glow discharge under Ar-diluted H2S. Silver atoms were supplied by sputtering from silver sheets placed on the inner surface of the stainless steel cathode. Rotational transitions from J = 7.5 - 6.5 to 39.5 - 38.5 were measured in the 58-310 GHz region. Rotational, centrifugal distortion, and several fine- and hyperfine-structure constants were determined by least-squares analysis. Other spectroscopic parameters such as the dissociation energy, vibrational wavenumber, and equilibrium bond length were also derived from the determined molecular constants. In addition, some electronic properties were estimated from the fine- and hyperfine-structure constants.

  17. Theoretical investigation of rotationally inelastic collisions of CH(X2Π ) with molecular hydrogen

    NASA Astrophysics Data System (ADS)

    Dagdigian, Paul J.

    2016-12-01

    We report calculations of state-to-state cross sections for collision-induced rotational transitions of CH(X2Π ) with molecular hydrogen. These calculations employed the diabatic matrix elements of the interaction potential determined by Dagdigian [J. Chem. Phys. 145, 114301 (2016)], which employed the multi-reference configuration-interaction method [MRCISD+Q(Davidson)]. Because of the presence of a deep well on the lower potential energy surface, the scattering calculations were carried out using the quantum statistical method of Manolopoulos and co-workers [Chem. Phys. Lett. 343, 356 (2001)]. The computed cross sections included contributions from direct scattering, as well as from the formation and decay of a collision complex. The magnitude of latter contribution was found to decrease significantly with increasing collision energy. Rotationally energy transfer rate constants were computed for this system since these are required for astrochemical modeling.

  18. Fully quantum state-resolved inelastic scattering between He and NO(X (2)Pi).

    PubMed

    Kłos, J; Aoiz, F J; Verdasco, J E; Brouard, M; Marinakis, S; Stolte, S

    2007-07-21

    Quantum mechanical close-coupling calculations have been used to obtain fully quantum state-resolved differential cross sections and opacity functions for the rotationally inelastic collisions of NO(X (2)Pi) with He at collision energies of 63 and 147 meV using the most recent ab initio potential energy surfaces of Kłos et al. [J. Chem. Phys. 112, 2195 (2000)]. Double peaks observed in the Lambda-doublet resolved differential cross sections are shown to be related to the presence of analogous peaks in the corresponding opacity functions. These structures can be linked directly to a specific expansion term in the potential, and reflect the fact that NO is not quite homonuclear.

  19. Credit WCT. Original 2¾" x 2Y4" color negative is housed ...

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

    Credit WCT. Original 2-¾" x 2-Y4" color negative is housed in the JPL Photography Laboratory, Pasadena, California. View shows JPL staff member John Morrow loading the grinder hopper. The hopper has a 10 mesh screen to filter out particles too large for the mill. Oxidizer is passed steadily to the hammers by a stainless steel feed screw. Oxidizer may be passed through the mill several times depending on the fineness required by a given propellant formula; the maximum charge is 130 pounds (59.0 Kg). The drum below the mill has an electrically conductive plastic liner which receives the ground oxidizer (JPL negative no. JPL10279AC, 27 January 1989) - Jet Propulsion Laboratory Edwards Facility, Oxidizer Grinder Building, Edwards Air Force Base, Boron, Kern County, CA

  20. Theoretical study of the dipole moment function of OH(X 2Pi)

    NASA Technical Reports Server (NTRS)

    Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.; Taylor, Peter R.

    1987-01-01

    A complete theoretical electric dipole moment function mu(r) is computed for OH(X 2Pi) at the full configuration-interaction (FCI) level for DZP + diffuse Gaussian basis set. The energy and dipole moment are also determined with 2d functions on oxygen at seven r values. The following methods are compared to the FCI for both the oxygen 1d and 2d basis sets: single-reference singles-plus-doubles configuration interaction (SDCI), SDCI with Davidson's correction, the coupled pair functional approach (CPF) and a modified form of CPF, CASSCF, and CASSCF-MRSDCI, and the external contracted CI(CCI) method. The dipole moments are evaluated both as an expectation value and by finite-field methods. The results support the superiority of evaluating the dipole moment as an energy derivative rather than as an expectation value.

  1. On the Magnetic Field of the Ultraluminous X-Ray Pulsar M82 X-2

    NASA Astrophysics Data System (ADS)

    Xu, Kun; Li, Xiang-Dong

    2017-04-01

    The discovery of the ultraluminous X-ray pulsar M82 X-2 has stimulated lively discussion on the nature of the accreting neutron star. In most of the previous studies the magnetic field of the neutron star was derived from the observed spin-up/down rates based on the standard thin, magnetized accretion disk model. However, under super-Eddington accretion the inner part of the accretion disk becomes geometrically thick. In this work we consider both radiation feedback from the neutron star and the sub-Keplerian rotation in a thick disk and calculate the magnetic moment–mass accretion rate relations for the measured rates of spin change. We find that the derived neutron star's dipole magnetic field depends on the maximum accretion rate adopted, but is likely ≲1013 G. The predicted accretion rate change can be used to test the proposed models by comparison with observations.

  2. Development of a 2K x 2K GaAs QWIP Focal Plane Array

    NASA Technical Reports Server (NTRS)

    Jhabvala, M.; Choi, K.; Jhabvala, C.; Kelly, D.; Hess, L.; Ewin, A.; La, A.; Wacynski, A.; Sun, J.; Adachi, T.; Costen, N.; Ni, Q.; Snodgrass, Stephen; Foltz, Roger

    2013-01-01

    We are developing the next generation of GaAs Quantum Well Infrared Photodetector (QWIP) focal plane arrays (FPAs) in preparation for future NASA space-borne Earth observing missions. It is anticipated that these missions will require both wider ground spatial coverage as well as higher ground imaging resolution. In order to demonstrate our capability in meeting these future goals we have taken a two-tiered approach in the next stage of advanced QWIP focal plane array development. We will describe our progress in the development of a 512 x 3,200 (512 x 3K) array format for this next generation thermal imaging array for the NASA Landsat project. However, there currently is no existing readout integrated circuit (ROIC) for this format array.so to demonstrate the ability to scale-up an existing ROIC we developed a 1,920 x 2,048 (2K x 2K) array and it hybridized to a Raytheon SB419 CTIA readout integrated circuit that was scaled up from their existing 512 x 640 SB339 ROIC. Two versions of the 512 x 3K QWIP array were fabricated to accommodate a future design scale-up of both the Indigo 9803 ROIC based on a 25 micron pixel dimension and a scale up of the Indigo 9705 ROIC based on a 30 micron pixel dimension. Neither readout for the 512 x 3K has yet to be developed but we have fabricated both versions of the array. We describe the design, development and test results of this effort as well as the specific applications these FPAs are intended to address.

  3. Rotational and Hyperfine Structure in the [17.6]2.5 - X2.5 and [23.3]2.5 - X2.5 Transitions of Iridium Monoxide

    NASA Astrophysics Data System (ADS)

    Linton, C.; Tokaryk, D. W.; Adam, A. G.; Daigle, J. A.; Esson, L. M.; Granger, A. D.; Smith, A. M.; Steimle, T. C.

    2013-06-01

    Laser induced fluorescence spectra of two electronic transitions, [17.6]2.5 - X2.5 and [23.3]2.5 - X2.5, of IrO have been obtained at high resolution by using a single mode ring dye laser to excite IrO molecules in a laser-ablation molecular beam source. From spectra taken at the University of New Brunswick at a linewidth of 180 MHz, the ^{193}IrO - ^{191}IrO isotope shifts in the rotational lines established the vibrational assignment of the [23.3]2.5 - X2.5 band as 1 - 0 and confirmed previous 0 - 0 assignments of the [17.6]2.5 - X2.5 band. The higher J rotational lines of both transitions are observed to split into closely spaced doublets resulting from quadrupole hyperfine structure caused by the I = 3/2 nuclear spin on both Ir isotopes. Higher resolution [17.6]2.5 - X2.5 spectra with an approximate linewidth of 30 MHz, were taken at Arizona State University and showed clearly resolved hyperfine structure in the low J lines. The results of the hyperfine structure analysis will be discussed as well as (hopefully) Stark and Zeeman effect experiments to determine the permanent electric and the magnetic dipole moments of IrO.

  4. A quasiclassical trajectory study of the N2(X1Σ) + O(3P) → NO(X2Π) + N(4S) reaction

    NASA Astrophysics Data System (ADS)

    Lin, Wei; Meana-Pañeda, Rubén; Varga, Zoltan; Truhlar, Donald G.

    2016-06-01

    We present quasiclassical trajectory simulations of the high-energy collision-induced O(3P) + N2 reaction. The simulation results show that reactive scattering may proceed on both the 3A' and 3A″ potential energy surfaces, but the reaction on 3A″ surface overwhelmingly dominates. At total energies of collision slightly above the threshold, the NO(X2Π) product is found to be scattered primarily in the forward direction, and at higher collision energies, the fraction of NO products that scatter in the backward direction increases. Two-dimensional joint distributions of the center-of-mass differential cross section and translational energy have been examined to unravel the details of the scattering as functions of collision energy.

  5. Subunit-specific coupling between gamma-aminobutyric acid type A and P2X2 receptor channels.

    PubMed

    Boué-Grabot, Eric; Toulmé, Estelle; Emerit, Michel B; Garret, Maurice

    2004-12-10

    ATP and gamma-aminobutyric acid (GABA) are two fast neurotransmitters co-released at central synapses, where they co-activate excitatory P2X and inhibitory GABAA (GABA type A) receptors. We report here that co-activation of P2X2 and various GABAA receptors, co-expressed in Xenopus oocytes, leads to a functional cross-inhibition dependent on GABAA subunit composition. Sequential applications of GABA and ATP revealed that alphabeta- or alphabetagamma-containing GABAA receptors inhibited P2X2 channels, whereas P2X2 channels failed to inhibit gamma-containing GABAA receptors. This functional cross-talk is independent of membrane potential, changes in current direction, and calcium. Non-additive responses observed between cation-selective GABAA and P2X2 receptors further indicate the chloride independence of this process. Overexpression of minigenes encoding either the C-terminal fragment of P2X2 or the intracellular loop of the beta3 subunit disrupted the functional cross-inhibition. We previously demonstrated functional and physical cross-talk between rho1 and P2X2 receptors, which induced a retargeting of rho1 channels to surface clusters when co-expressed in hippocampal neurons (Boue-Grabot, E., Emerit, M. B., Toulme, E., Seguela, P., and Garret, M. (2004) J. Biol. Chem. 279, 6967-6975). Co-expression of P2X2 and chimeric rho1 receptors with the C-terminal sequences of alpha2, beta3, or gamma2 subunits indicated that only rho1-beta3 and P2X2 channels exhibit both functional cross-inhibition in Xenopus oocytes and co-clustering/retargeting in hippocampal neurons. Therefore, the C-terminal domain of P2X2 and the intracellular loop of beta GABAA subunits are required for the functional interaction between ATP- and GABA-gated channels. This gamma subunit-dependent cross-talk may contribute to the regulation of synaptic activity.

  6. Effects of protein deprivation and re-feeding on P2X2 receptors in enteric neurons

    PubMed Central

    Misawa, Rúbia; Girotti, Priscila Azevedo; Mizuno, Márcia Sanae; Liberti, Edson Aparecido; Furness, John Barton; Castelucci, Patricia

    2010-01-01

    AIM: To investigate the effects of malnutrition and re-feeding on the P2X2 receptor, nitric oxide synthase (NOS), calretinin, calbindin and choline acetyltransferase (ChAT) in neurons of the rat ileum. METHODS: We analyzed the co-localization, numbers and sizes of P2X2-expressing neurons in relation to NOS-immunoreactive (IR), calbindin-IR, ChAT-IR, and calretinin-IR neurons of the myenteric and submucosal plexus. The experimental groups consisted of: (1) rats maintained on normal feed throughout pregnancy until 42 d post-parturition (N); (2) rats deprived of protein throughout pregnancy and 42 d post-parturition (D); and (3) rats undernourished for 21 d post-parturition and then given a protein diet from days 22 to 42 (DR). The myenteric and submucosal plexuses were evaluated by double labeling by immunohistochemical methods for P2X2 receptor, NOS, ChAT, calbindin and calretinin. RESULTS: We found similar P2X2 receptor immunoreactivity in the cytoplasm and surface membranes of myenteric and submucosal neurons from the N, D and DR groups. Double labeling of the myenteric plexus demonstrated that approximately 100% of NOS-IR, calbindin-IR, calretinin-IR and ChAT-IR neurons in all groups also expressed the P2X2 receptor. In the submucosal plexus, the calretinin-IR, ChAT-IR and calbindin-IR neurons were nearly all immunoreactive for the P2X2 receptor. In the myenteric plexus, there was a 19% increase in numbers per cm2 for P2X2 receptor-IR neurons, 64% for NOS-IR, 84% for calretinin-IR and 26% for ChAT-IR neurons in the D group. The spatial density of calbindin-IR neurons, however, did not differ among the three groups. The submucosal neuronal density increased for calbindin-IR, calretinin-IR and ChAT-IR neurons. The average size of neurons in the myenteric plexus neurons in the D group was less than that in the controls and, in the re-fed rats; there was a 34% reduction in size only for the calretinin-IR neurons. CONCLUSION: This work demonstrates that expression of

  7. Acceleration of Relativistic Electron Dynamics by Means of X2C Transformation: Application to the Calculation of Nonlinear Optical Properties.

    PubMed

    Konecny, Lukas; Kadek, Marius; Komorovsky, Stanislav; Malkina, Olga L; Ruud, Kenneth; Repisky, Michal

    2016-12-13

    The Liouville-von Neumann equation based on the four-component matrix Dirac-Kohn-Sham Hamiltonian is transformed to a quasirelativistic exact two-component (X2C) form and then used to solve the time evolution of the electronic states only. By this means, a significant acceleration by a factor of 7 or more has been achieved. The transformation of the original four-component equation of motion is formulated entirely in matrix algebra, following closely the X2C decoupling procedure of Ilias and Saue [ J. Chem. Phys. 2007 , 126 , 064102 ] proposed earlier for a static (time-independent) case. In a dynamic (time-dependent) regime, however, an adiabatic approximation must in addition be introduced in order to preserve the block-diagonal form of the time-dependent Dirac-Fock operator during the time evolution. The resulting X2C Liouville-von Neumann electron dynamics (X2C-LvNED) is easy to implement as it does not require an explicit form of the picture-change transformed operators responsible for the (higher-order) relativistic corrections and/or interactions with external fields. To illustrate the accuracy and performance of the method, numerical results and computational timings for nonlinear optical properties are presented. All of the time domain X2C-LvNED results show excellent agreement with the reference four-component calculations as well as with the results obtained from frequency domain response theory.

  8. Entanglement and dissipation in a 2x2 quantum-dot cell

    NASA Astrophysics Data System (ADS)

    Debora Contreras, Lesbia; Rojas, Fernando

    2005-03-01

    Quantum dot arrays or quantum-dot cellular automata (QCA) have been proposed as elements capable to encode, process and transmit logical information based on quantum effects in terms of charge distributions in specific geometries. and the basis for the charge qubits. Quantum Entanglement is a resource to encode information in a completely new way making possible quantum teleportation, quantum error correction, quantum dense coding. In this work, we explore the dynamical formation of entangled states including dissipative effects, of two parallel double dots (four dots, 2x2 cell), with one extra electron each, coupled by the Coulomb interaction and controlled by a time dependent potential difference applied to one of the double dots, causing the electron to switch. We include dissipative effects via electron-phonon interaction in the Markovian approximation for the reduced density matrix. Dynamical properties of the cell such as charge polarization, measure the entanglement (Wootters concurrence) and the probabilities for each Bell state, are discussed as a function of relevant parameters (tunneling, potential difference, temperature). We find that it is possible to obtain entangled states in the cell based on the electronic charge distribution and produce a specific Bell state from an initially non entangled state through the control of the time dependent potential. The work is supported by DGAPA project IN114403 and CONACyT project 43673-F

  9. Mineral resource assessment of the Dillon 1 degree x 2 degrees Quadrangle, Idaho and Montana

    USGS Publications Warehouse

    Pearson, Robert Carl; Trautwein, C.M.; Ruppel, E.T.; Hanna, W.F.; Rowan, L.C.; Loen, J.S.; Berger, B.R.

    1992-01-01

    The Dillon 1°x2° quadrangle in southwestern Montana and east-central Idaho was investigated as part of the U.S. Geological Survey's Conterminous United States Mineral Assessment Program (CUSMAP) to determine its mineral resource potential. An interdisciplinary study was made of geology, geochemistry, geophysics (gravity and aeromagnetics), remote sensing, and mineral deposits. The results of those studies, as well as mineral resource assessment of numerous mineraldeposit types, are published separately as a folio of maps. This report summarizes the studies, provides background information on them, and presents a selected bibliography relevant to the geology and mineral resources of the quadrangle. The quadrangle contains large resources of gold and substantial resources of talc and chlorite, all of which were being mined in the 1980's and early 1990's. Submarginal resources of molybdenum, copper, tungsten, and iron range from moderately large to large. Other commodities that may be present in significant amounts are chromite, lead, zinc, silver, barite, zeolite minerals, and various nonmetallic metamorphic minerals.

  10. Elucidating the foundations of statistical inference with 2 x 2 tables.

    PubMed

    Choi, Leena; Blume, Jeffrey D; Dupont, William D

    2015-01-01

    To many, the foundations of statistical inference are cryptic and irrelevant to routine statistical practice. The analysis of 2 x 2 contingency tables, omnipresent in the scientific literature, is a case in point. Fisher's exact test is routinely used even though it has been fraught with controversy for over 70 years. The problem, not widely acknowledged, is that several different p-values can be associated with a single table, making scientific inference inconsistent. The root cause of this controversy lies in the table's origins and the manner in which nuisance parameters are eliminated. However, fundamental statistical principles (e.g., sufficiency, ancillarity, conditionality, and likelihood) can shed light on the controversy and guide our approach in using this test. In this paper, we use these fundamental principles to show how much information is lost when the tables origins are ignored and when various approaches are used to eliminate unknown nuisance parameters. We present novel likelihood contours to aid in the visualization of information loss and show that the information loss is often virtually non-existent. We find that problems arising from the discreteness of the sample space are exacerbated by p-value-based inference. Accordingly, methods that are less sensitive to this discreteness - likelihood ratios, posterior probabilities and mid-p-values - lead to more consistent inferences.

  11. Robust optimization of 2x2 multimode interference couplers with fabrication uncertainties

    NASA Astrophysics Data System (ADS)

    Rehman, Samee ur; Langelaar, Matthijs; Van Keulen, Fred

    2013-03-01

    In this paper, we propose a novel design-for-manufacture strategy for integrated photonics which specifically addresses the commonly encountered scenario in which probability distributions of the manufacturing variations are not available, however their bounds are known. The best design point for the device, in the presence of these uncertainties, can be found by applying robust optimization. This is performed by minimizing the maximum realizable value of the objective with respect to the uncertainty set so that an optimum is found whose performance is relatively immune to fabrication variations. Instead of applying robust optimization directly on a computationally expensive simulation model of the integrated photonic device, we construct a cheap surrogate model by uniformly sampling the simulated device at different values of the design variables and interpolating the resulting objective using a Kriging metamodel. By applying robust optimization on the constructed surrogate, the global robust optimum can be found at low computational cost. As an illustration of the method's general applicability, we apply the robust optimization approach on a 2x2 multimode interference (MMI) coupler. We robustly minimize the imbalance in the presence of uncertainties arising from variations in the fabricated design geometry. For this example device, we also study the influence of the number of sample points on the quality of the metamodel and on the robust optimization process.

  12. Epitaxial growth and properties of MoOx(2<x <2.75) films

    NASA Astrophysics Data System (ADS)

    Bhosle, V.; Tiwari, A.; Narayan, J.

    2005-04-01

    We report the growth of epitaxial molybdenum oxide (MoOx,2<x<2.75) films on c plane of sapphire substrate using pulsed laser deposition in oxygen environment. The structure was characterized using x-ray diffraction, high resolution transmission electron microscopy and x-ray photoelectron spectroscopy (XPS). Electrical resistivity and optical properties were investigated using four-point-probe resistivity measurements and spectroscopy techniques, respectively. It was found that the film had a monoclinic structure based on MoO2 phase and showed an unusual combination of high conductivity and high transmittance in the visible region after annealing. The unusual combination of these properties was realized by systematically controlling the relative fraction of different oxidation states of molybdenum, namely Mo4+, Mo5+, and Mo6+ in the monoclinic phase. For a film 60nm thick and annealed at 250°C for 1h, the ratio of Mo6+/(Mo4++Mo5+) was determined to be ˜2.9/1 using XPS, and a typical value of transmittance was ˜65% and resistivity close to 1×10-3Ωcm. These results demonstrate growth of epitaxial MoOx films with tunable electrical and optical properties. Further optimization of these properties is expected to result in applications related to display panels, solar cells, chromogenic (photochromic, electrochromic, gasochromic) devices, and transparent conducting oxides. Our ability to grow epitaxial MoOx films can further aid their integration with optoelectronic and photonic devices.

  13. Inorganic selenium speciation in groundwaters by solid phase extraction on Dowex 1X2.

    PubMed

    Lin, Tser-Sheng

    2007-10-01

    A Dowex 1X2 resin separation technique followed by analysis with atomic absorption spectroscopy was evaluated for the study of inorganic selenium speciation in groundwaters. After Se(IV) and Se(VI) were retained on the resin column, Se(IV) and Se(VI) were eluted out by 0.1 and 1M nitric acid solutions. The method detection limit was 5.6 ng/L for both Se(IV) and Se(VI). Analysis of synthetic solutions consistently yielded more than 90% recovery of these two selenium forms with negligible cross-contamination. The results of spiked well waters show that this method can be applied at ultra-trace level of Se in groundwater and the interference of chloride ion can be neglected. Water samples collected from the monitoring wells in the Science-based Industrial Park, Hsin-Chu, Taiwan, were analyzed. Average dissolved selenium concentrations were 32.1+/-17.6 ng/L. The proportion of Se(VI) to the total dissolved selenium ranged from 47.6 to 61.2% and an average of 53.8% in water samples analyzed.

  14. The pure rotational spectrum of the ScO (X2Σ+) radical

    NASA Astrophysics Data System (ADS)

    Halfen, D. T.; Min, J.; Ziurys, L. M.

    2017-01-01

    The rotational spectrum of ScO (X2Σ+) has been measured in the gas phase in the frequency range 30-493 GHz using a combination of Fourier transform microwave/millimeter-wave (FTM/mmW) and submillimeter direct absorption methods. This work is the first pure rotational study of this radical. Both the ground vibrational and v = 1 states were observed. ScO was created from the reaction of metal vapor, produced either by a laser ablation source or a Broida-type oven, and N2O, in the former case heavily diluted in argon. Extensive hyperfine structure was observed in the FTM/mmW data, although the spin-rotation splitting was found to be small (∼3 MHz). In the mm-wave spectra, however, the fine and hyperfine structure was blended together, resulting in broad, single lines for a given transition N + 1 ← N. The data were analyzed in a combined fit using the very accurate hyperfine measurements of Childs and Steimle (1988), employing a Hund's case b Hamiltonian, and an improved set of rotational and centrifugal distortion constants were determined. These measurements improve the accuracy of predicted frequencies for astronomical searches by 14-18 MHz, or 16-20 km/s, in the 1 mm region - a difference of half to a full linewidth for certain interstellar sources. This work also demonstrates the capabilities of the FTM/mmW spectrometer at 61 GHz.

  15. Elucidating the Foundations of Statistical Inference with 2 x 2 Tables

    PubMed Central

    Choi, Leena; Blume, Jeffrey D.; Dupont, William D.

    2015-01-01

    To many, the foundations of statistical inference are cryptic and irrelevant to routine statistical practice. The analysis of 2 x 2 contingency tables, omnipresent in the scientific literature, is a case in point. Fisher's exact test is routinely used even though it has been fraught with controversy for over 70 years. The problem, not widely acknowledged, is that several different p-values can be associated with a single table, making scientific inference inconsistent. The root cause of this controversy lies in the table's origins and the manner in which nuisance parameters are eliminated. However, fundamental statistical principles (e.g., sufficiency, ancillarity, conditionality, and likelihood) can shed light on the controversy and guide our approach in using this test. In this paper, we use these fundamental principles to show how much information is lost when the tables origins are ignored and when various approaches are used to eliminate unknown nuisance parameters. We present novel likelihood contours to aid in the visualization of information loss and show that the information loss is often virtually non-existent. We find that problems arising from the discreteness of the sample space are exacerbated by p-value-based inference. Accordingly, methods that are less sensitive to this discreteness - likelihood ratios, posterior probabilities and mid-p-values - lead to more consistent inferences. PMID:25849515

  16. Theoretical study of the dipole moment function of OH(X2Pi)

    NASA Technical Reports Server (NTRS)

    Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.; Taylor, Peter R.

    1989-01-01

    A theoretical study of the sensitivity of the dipole moment function (DMF) of the X2Pi ground state of OH to basis-set saturation and to refinements in the correlation treatment is presented. Emphasis is placed on determining the slope of the DMF at r(e) and the r value at which the maximum occurs. Consideration is given to the effect of oxygen polarization functions up through h type, expansion of the active orbital space to include the O 3d-delta orbital, the effect of higher excitations using the averaged coupled-pair functional method, and the effect of evaluating the dipole moment as an energy derivative rather than as an expectation value. The theoretical DMFs obtained here, which should be the most accurate to date, differ markedly from an empirical DMF of Turnbull and Lowe that is based on experimentally derived intensity ratios. The theoretical DMFs agree better with a recently published DMF of Nelson et al., but suggest that this empirical DMF is also inaccurate for r greater than 2.3 a0.

  17. Development of a 2x2 optical switch for plastic optical fiber using liquid crystal cells

    NASA Astrophysics Data System (ADS)

    Vazquez, Carmen; Sanchez-Pena, J. M.; Contreras, Pedro; Pontes, M. A. J.

    2005-07-01

    A 2x2 optical switch for plastic optical fibre (POF) has been developed, able to work for both 660 and 850nm simultaneous and independently of the input light's polarization, improving previous developments. The device has four bidirectional optical ports, and is able to switch from each port to any other. In this way, there are three operation modes: straight (each input connected to the corresponding output), crossed (inputs and outputs crosses) and closed (inputs connected on the one part, and output connected on the other part). As the device is bidirectional, inputs and outputs are interchangeable. The switching process is carried out by a set of Polarized Beam Splitters, Liquid Crystal cells, λ/4 plates, lens and mirrors. An electronic circuitry has been developed to control the state of the optical switch, which is shown in a Liquid Crystal Display. The system has been tested for both 660nm and 850nm, and the optical switch exhibits miliseconds switching times, an optical interchannel crosstalk better than -25 dB, and low power consumption. Applications of the switch include systems where a redundant path is needed to guarantee communication, such as safety systems in automobiles, LANs, telemedicine, heavy machinery in the industry along with coarse WDM GI (graded index) POF networks. Device size reduction is under development.

  18. Research on 1x2 all fiber high-speed magneto-optic switch

    NASA Astrophysics Data System (ADS)

    Lin, Shaohan; Weng, Zihua; Wang, Minfeng; Chen, Xu; Ruan, Jianjian

    2008-11-01

    In this paper two new types of 1x2 all fiber high-speed magneto-optic switches with thick film ferromagnetic bismuth-substituted rare-earth iron garnets are proposed and tested. Two types of magneto-optic switches are discussed by using two kinds of crystals. One is the ordinary switch which needs indurance magnetic field to maintain its state; And the other is latching type switch, the crystal remains in a given magnetic state for unlimited duration without energy supply. Circuits used to generate magnetic field are also discussed. The theoretical and experimental analysis of optical route, measurement of switching time and magnetic filed etc. are included. The extinction ratio of the switches are currently about 20 dB. It can be improved further by additional Faraday rotation created by another magneto-optic (MO) material in the light path. The switching time of MO material is under 100 ns, it can be ignored. Magnetic field should be able to change the voltage rapidly in order to obtain fast operating time of the optical switch. The inductance of the solenoid used for generating the required magnetic field is the bottleneck for rapid switching of the magnetic field in the MO material. The switching time of the two optical switch are discussed.

  19. Map showing geologic terranes of the Hailey 1 degree x 2 degrees quadrangle and the western part of the Idaho Falls 1 degree x 2 degrees quadrangle, south-central Idaho

    USGS Publications Warehouse

    Worl, R.G.; Johnson, K.M.

    1995-01-01

    The paper version of Map Showing Geologic Terranes of the Hailey 1x2 Quadrangle and the western part of the Idaho Falls 1x2 Quadrangle, south-central Idaho was compiled by Ron Worl and Kate Johnson in 1995. The plate was compiled on a 1:250,000 scale topographic base map. TechniGraphic System, Inc. of Fort Collins Colorado digitized this map under contract for N.Shock. G.Green edited and prepared the digital version for publication as a geographic information system database. The digital geologic map database can be queried in many ways to produce a variety of geologic maps.

  20. Tuning Dirac points by strain in MoX2 nanoribbons (X = S, Se, Te) with a 1T' structure.

    PubMed

    Sung, Ha-Jun; Choe, Duk-Hyun; Chang, K J

    2016-06-28

    For practical applications of two-dimensional topological insulators, large band gaps and Dirac states within the band gap are desirable because they allow for device operation at room temperature and quantum transport without dissipation. Based on first-principles density functional calculations, we report the tunability of the electronic structure by strain engineering in quasi-one-dimensional nanoribbons of transition metal dichalcogenides with a 1T' structure, MoX2 with X = (S, Se, Te). We find that both the band gaps and Dirac points in 1T'-MoX2 can be engineered by applying an external strain, thereby leading to a single Dirac cone within the bulk band gap. Considering the gap size and the location of the Dirac point, we suggest that, among 1T'-MoX2 nanoribbons, MoSe2 is the most suitable candidate for quantum spin Hall (QSH) devices.

  1. A correlated ab initio study of the A2 pi <-- X2 sigma+ transition in MgCCH.

    PubMed

    Woon, D E

    1997-08-01

    The A2 pi <-- X2 sigma+ transition in MgCCH was studied with correlation consistent basis sets and single- and multireference correlation methods. The A2 pi excited state was characterized in detail; the x2 sigma+ ground state has been described elsewhere recently. The estimated complete basis set (CBS) limits for valence correlation, including zero-point energy corrections, are 22668, 23191, and 22795 for the RCCSD(T), MRCI, and MRCI + Q methods, respectively. A core-valence correction of +162 cm-1 shifts the RCCSD(T) value to 22830 cm-1, in good agreement with the experimental result of 22807 cm-1.

  2. Statistical parameters for resource evaluation of geochemical data from the Ajo 1 degree x 2 degrees Quadrangle, Arizona

    USGS Publications Warehouse

    Theobald, P.K.; Barton, Harlan N.

    1983-01-01

    Statistical data are presented from a regional geochemical study of the Ajo 1? X 2? quadrangle exclusive of the Papago Indian Reservation, but including the extension of Organ Pipe Cactus National Monument into the Lukeville 1? X 2? quadrangle. Frequency distribution data from the analysis of stream-sediment and heavy-mineral-concentrate samples for 31 elements have broad ranges and for most elements have maxima well above normal. Elemental associations derived from correlation and R-mode factor analysis related to regional lithologic variation and for some associations suggest mineral-resource potential.

  3. Richfield 1/sup 0/ x 2/sup 0/ NTMS area, Utah: data report (abbreviated)

    SciTech Connect

    Bennett, C.B.

    1980-09-01

    Results of groundwater and stream/surface sediment reconnaissance in the National Topographic Map Series (NTMS) Richfield 1/sup 0/ x 2/sup 0/ quadrangle are presented. Surface sediment samples were collected at 1546 sites, at a target sampling density of one site per 13 square kilometers. Groundwater samples were collected at 210 sites. Neutron activation analysis results are given for uranium and 16 other elements in sediments, and for uranium and 9 other elements in groundwater. Mass spectrometry results are given for helium in groundwater. Field measurements and observations are reported for each site. Data from groundwater sites include (1) water chemistry measurements (pH, conductivity, and alkalinity), (2) physical measurements (water temperature, well description where applicable, and scintillometer reading), and (3) elemental analyses (U, Al, Br, Cl, Dy, F, He, Mg, Mn, Na, and V). Data from sediment sites include (1) stream water chemistry measurements from sites where water was available, and (2) elemental analyses for sediment samples (U, Th, Hf, Al, Ce, Dy, Eu, Fe, La, Lu, Mn, Sc, Sm, Na, Ti, V, and Yb). Sample site descriptors (stream characteristics, vegetation, etc.) are also tabulated. Areal distribution maps, histograms, and cumulative frequency plots for most elements, U/Th and U/Hf ratios, and scintillometer readings at sediment sample sites are included. Uranium concentrations in sediments of the Richfield quadrangle are relatively low, having a mean of 2.5 ppM and a maximum value of 68.3 ppM. The anomalously high values of uranium in Quadrangle CE correspond with the proportionately high values of thorium, suggesting that the uranium is present in resistate minerals. Groundwater and surface water sampling sites are too widely dispersed to allow preliminary interpretation.

  4. Mass spectrum of the butadiynyl radical (C4H; X2[summation operator]+)

    NASA Astrophysics Data System (ADS)

    Gu, Xibin; Guo, Ying; Kaiser, Ralf I.

    2005-11-01

    We utilized the crossed molecular beams method to synthesize the butadiynyl radical, C4H(X2[summation operator]+), via the reaction of dicarbon molecules with acetylene, under single collision conditions. Time-of-flight spectra of the radical were recorded at the center-of-mass angle (31°) of the parent ion (m/z = 49; C4H+) and of the fragments at m/z = 48 (C4+), m/z = 37 (C3H+), and m/z = 36 (C3+) This yields relative intensity ratios of I(m/z = 49):I(m/z = 48):I(m/z = 37):I(m/z = 36):I(m/z = 25):I(m/z = 24) = 1.0:0.67 +/- 0.07:0.47 +/- 0.06:0.2 +/- 0.02:0.08 +/- 0.02:0.04 +/- 0.02 at 70 eV electron impact energy. Signal at m/z = 13 (CH+) and 12 (C+) contribute less than 0.04 relative to the parent peak; the intensity of the 13C isotopic peak of the butadiynyl radical at m/z = 50 (13C12C3H+) depicts an intensity of 0.04 +/- 0.01 relative to m/z = 49. Employing linear scaling methods, the absolute ionization cross section of the butadiynyl radical was computed to be 8.8 +/- 1.8 × 10-16 cm2. These data can be employed in future space missions to detect the butadiynyl radical in oxygen-poor combustion flames and in the atmospheres of planets (Jupiter, Saturn, Uranus, Neptune and Pluto) and their moons (Titan, Triton and Oberon) in situ via matrix interval arithmetic assisted mass spectrometry.

  5. Magnetism of CuX2 frustrated chains (X = F, Cl, Br): Role of covalency

    NASA Astrophysics Data System (ADS)

    Lebernegg, S.; Schmitt, M.; Tsirlin, A. A.; Janson, O.; Rosner, H.

    2013-04-01

    Periodic and cluster density functional theory (DFT) calculations, including DFT+U and hybrid functionals, are applied to study magnetostructural correlations in spin-(1)/(2) frustrated chain compounds CuX2: CuCl2, CuBr2, and a fictitious chain structure of CuF2. The nearest-neighbor and second-neighbor exchange integrals J1 and J2 are evaluated as a function of the Cu-X-Cu bridging angle θ in the physically relevant range 80∘-110∘. In the ionic CuF2, J1 is ferromagnetic for θ≤100∘. For larger angles, the antiferromagnetic superexchange contribution becomes dominant, in accord with the Goodenough-Kanamori-Anderson rules. However, both CuCl2 and CuBr2 feature ferromagnetic J1 in the whole angular range studied. This surprising behavior is ascribed to the increased covalency in the Cl and Br compounds, which amplifies the contribution from Hund's exchange on the ligand atoms and renders J1 ferromagnetic. At the same time, the larger spatial extent of X orbitals enhances the antiferromagnetic J2, which is realized via the long-range Cu-X-X-Cu paths. Both periodic and cluster approaches supply a consistent description of the magnetic behavior which is in good agreement with the experimental data for CuCl2 and CuBr2. Thus, owing to their simplicity, cluster calculations have excellent potential to study magnetic correlations in more involved spin lattices, and facilitate application of quantum-chemical methods.

  6. Mineral resource assessment of the Iron River 1 degree x 2 degrees Quadrangle, Michigan and Wisconsin

    USGS Publications Warehouse

    Cannon, William F.

    1983-01-01

    The Iron River 1? x 2? quadrangle contains identified resources of copper and iron. Copper-rich shale beds in the north part of the quadrangle contain 12.2 billion pounds (5.5 billion kilograms) of copper in well-studied deposits including 9.2 billion pounds (4.2 billion kilograms) that are economically minable by 1980 standards. At least several billion pounds of copper probably exist in other parts of the same shale beds, but not enough data are available to measure the amount. A small amount, about 250 million pounds (113 million kilograms), of native copper is known to remain in one abandoned mine, and additional but unknown amounts remain in other abandoned mines. About 13.25 billion tons (12.02 billion metric tons) of banded iron-formation averaging roughly 30 percent iron are known within 500 feet (152.4 meters) of the surface in the Gogebic, Marquette, and Iron River-Crystal Falls districts. A small percentage of that might someday be minable as taconite, but none is now believed to be economic. Some higher grade iron concentrations exist in the same iron-formations. Such material was the basis of former mining of iron in the region, but a poor market for such ore and depletion of many deposits have led to the decline of iron mining in the quadrangle. Iron mines of the quadrangle were not being worked in 1980. Many parts of the quadrangle contain belts of favorable host rocks for mineral deposits. Although deposits are not known in these belts, undiscovered deposits of copper, zinc, lead, silver, uranium, phosphate, nickel, chromium, platinum, gold, and diamonds could exist.

  7. Unbalanced 2 x 2 factorial designs and the interaction effect: a troublesome combination.

    PubMed

    Landsheer, Johannes A; van den Wittenboer, Godfried

    2015-01-01

    In this power study, ANOVAs of unbalanced and balanced 2 x 2 datasets are compared (N = 120). Datasets are created under the assumption that H1 of the effects is true. The effects are constructed in two ways, assuming: 1. contributions to the effects solely in the treatment groups; 2. contrasting contributions in treatment and control groups. The main question is whether the two ANOVA correction methods for imbalance (applying Sums of Squares Type II or III; SS II or SS III) offer satisfactory power in the presence of an interaction. Overall, SS II showed higher power, but results varied strongly. When compared to a balanced dataset, for some unbalanced datasets the rejection rate of H0 of main effects was undesirably higher. SS III showed consistently somewhat lower power. When the effects were constructed with equal contributions from control and treatment groups, the interaction could be re-estimated satisfactorily. When an interaction was present, SS III led consistently to somewhat lower rejection rates of H0 of main effects, compared to the rejection rates found in equivalent balanced datasets, while SS II produced strongly varying results. In data constructed with only effects in the treatment groups and no effects in the control groups, the H0 of moderate and strong interaction effects was often not rejected and SS II seemed applicable. Even then, SS III provided slightly better results when a true interaction was present. ANOVA allowed not always for a satisfactory re-estimation of the unique interaction effect. Yet, SS II worked better only when an interaction effect could be excluded, whereas SS III results were just marginally worse in that case. Overall, SS III provided consistently 1 to 5% lower rejection rates of H0 in comparison with analyses of balanced datasets, while results of SS II varied too widely for general application.

  8. Elko 1/sup 0/ x 2/sup 0/ NTMS area: Nevada and Utah. Data report

    SciTech Connect

    Fay, W.M.

    1980-07-01

    Results of ground water and surface sediment reconnaissance in the National Topographic Map Series (NTMS) Elko 1/sup 0/ x 2/sup 0/ quadrangle are presented. The target sampling density was one site per 12 square kilometers. This resulted in 1713 sediment samples being collected; however, dry conditions and sparce population contributed to the relatively small number of ground water (154) samples collected. Neutron activation analysis (NAA) results are given for uranium and 16 other elements in sediments, and for uranium and 9 other elements in ground water. Mass spectrometry results are given for helium in ground water. Field measurements and observations are reported for each site. Analytical data and field measurements are presented in tables and maps. Statistical summaries of data and a brief description of results are given. A generalized geologic map and a summary of the geology of the area are included. Data from ground water sites include (1) water chemistry measurements (pH, conductivity, and alkalinity), (2) physical measurements where applicable (water temperature, well description, and scintillometer reading), and (3) elemental analyses (U, Al, Br, Cl, Dy, F, He, Mg, Mn, Na, and V). Data from sediment sites include (1) stream water chemistry measurements (where available) for pH, conductivity, and alkalinity, and (2) elemental analyses (U, Th, Hf, Al, Ce, Dy, Eu, Fe, La, Lu, Mn, Sc, Sm, Na, Ti, V, and Yb). Sample site descriptors (coordinates, vegetation, etc.) are also tabulated. Areal distribution maps, histograms, and cumulative frequency plots for most elements, U/Th and U/Hf ratios, and scintillometer readings for sediment samples are included.

  9. Ritzville 1/sup 0/ x 2/sup 0/ NTMS area, Washington: data report

    SciTech Connect

    Bennett, C.B.

    1980-07-01

    This data report presents results of ground water and stream/surface sediment reconnaissance in the National Topographic Map Series (NTMS) Ritzville 1/sup 0/ x 2/sup 0/ quadrangle. Surface samples (sediment) were collected from 1063 sites. The target sampling density was one site per 20 square kilometers (eight square miles). Dry conditions contributed to the relatively small number (109) of surface water samples collected. Ground water samples were collected at 830 sites. Neutron activation analysis (NAA) results are given for uranium and 16 other elements in sediments, and for uranium and 9 other elements in ground water. Mass spectrometry results are given for helium in ground water. Field measurements and observations are reported for each site. Analytical data and field measurements are presented in tables and maps. Statistical summaries of data and a brief description of results are given. A generalized geologic map and a summary of the geology of the area are included. Data from ground water sites include: (1) water chemistry measurements (pH, conductivity, and alkalinity); (2) physical measurements where applicable (water temperature, well description, and scintillometer reading); and (3) elemental analyses (U, Al, Br, Cl, Dy, F, He, Mg, Mn, Na, and V). Data from sediment sites include: (1) stream water chemistry measurements where applicable (pH, conductivity, and alkalinity); and (2) elemental analyses for sediment samples (U, Th, Hf, Al,Ce, Dy, Eu, Fe, La, Lu, Mn, Sc, Sm, Na, Ti, V, and Yb). Sample site descriptors (stream characteristics, vegetation, etc.) are also tabulatd. Areal distribution maps, histograms, and cumulative frequency plots for most elements; U/Th, U/Hf, and Th/La ratios; and scintillometer readings for sediment samples are included on the microfiche.

  10. Marble Canyon 1/sup 0/ x 2/sup 0/ NTMS area Arizona: data report

    SciTech Connect

    Heffner, J.D.

    1980-07-01

    Results of ground water and stream/surface sediment reconnaissance (HSSR) in the National Topographic Map Series (NTMS) Marble Canyon 1/sup 0/ x 2/sup 0/ quadrangle are presented. The target sampling density for all media collected was one site per 12 square kilometers. This resulted in 884 sediment samples being collected; however, dry conditions and sparse population resulted in the collection of only 2 ground water samples. Grand Canyon National Park, Glen Canyon National Recreation Area, and much Indian tribal land in the southern half of the quadrangle were not sampled. Neutron activation analysis (NAA) results are given for uranium and 16 other elements in sediments, and for uranium and 9 other elements in ground water. Mass spectrometry results are given for helium in ground water. Field measurements for sediment samples are presented in tables and maps. Statistical summaries of data and a brief description of results are given. A generalized geologic map and a summary of the geology of the area are included. Data from ground water include: water chemistry measurements (pH, conductivity, and alkalinity); physical measurements (water temperature, and scintillometer readings); and elemental analyses (U, Al, Br, Cl, Dy, F, He, Mg, Mn, Na, and V). Data from sediment sites include: water chemistry measurements (where available) for pH, conductivity, and alkalinity; and elemental analyses(U, Th, Hf, Al, Ce, Dy, Eu, Fe, La, Lu, Mn, Sc, Sm, Na, Ti, V, and Yb). Sample site descriptors (stream characteristics, vegetation, etc.) are also tabulated. Histograms, cumulative frequency, and areal distribution plots for most elements; Log U/Th, Log U/Hf, and Log U/(Th + Hf) ratios; and scintillometer readings are included.

  11. Line Strengths in the Form of Einstein a Coefficients and Oscillator Strengths of the A^2Π-X^2Σ{^+} (red) and B^2Σ{^+}-X^2Σ{^+} (violet) Systems of CN

    NASA Astrophysics Data System (ADS)

    Ram, R. S.; Brooke, J. S. A.; Li, G.; Schwenke, D. W.; Bernath, P. F.

    2013-06-01

    Line strengths have been calculated in the form of Einstein A coefficients and oscillator strengths (f-values) for a large number of bands of the A^2Π-X^2Σ{^+} and B^2Σ{^+}-X^2Σ{^+} transitions (with v=0-22 of A^2Π, v=0-15 of B^2Σ{^+} and v=0-15 of X^2Σ{^+}) of CN using Western's PGOPHER program. The potential energy curves of the three electronic states calculated using the experimental spectroscopic constants in an RKR program. The potential turning points of the three states and the transition dipole moments of two transitions calculated from high level ab initio calculations, were used in Le Roy's LEVEL program to produce rotation-less transition dipole moment matrix elements for a large number of bands. These transition dipole moments were then used in PGOPHER to generate a line list containing the observed and calculated wavenumbers, Einstein A coefficients and f-values. The Einstein A coefficients have been used to compute the radiative lifetimes of several vibrational levels of the A^2Π and B^2Σ{^+} states. The computed values for some lower vibrational levels of the two states have been compared with values reported in previous experimental and theoretical studies. A similar calculation on the line strengths of the A^2Π-X^2Σ{^+} transition of CP is in progress and preliminary results will be presented.

  12. Data on ground-water quality for the Lund 1 degree x 2 degree quadrangle, eastern Nevada

    USGS Publications Warehouse

    Welch, Alan H.; Williams, Rhea P.

    1986-01-01

    Water quality data for groundwater were compiled for the Lund 1 degree x 2 degree quadrangle which covers a portion of eastern Nevada. Chemical characteristics of the water are shown on a map (at a scale of 1:250,000) and on trilinear diagrams for the major ions. The data for the area are also presented in a table. (USGS)

  13. Data on ground-water quality for the Millett 1 degree x 2 degree quadrangle, central Nevada

    USGS Publications Warehouse

    Welch, Alan H.; Williams, Rhea P.

    1986-01-01

    Water quality data for groundwater were compiled for the Millett 1 degree x 2 degree quadrangle which covers a portion of central Nevada. Chemical characteristics of the water are shown on a map (at a scale of 1:250,000) and on trilinear diagrams for the major ions. The data for the area are also presented in a table. (USGS)

  14. Data on ground-water quality for the Elko 1 degree x 2 degree quadrangle, eastern Nevada

    USGS Publications Warehouse

    Welch, Alan H.; Williams, Rhea P.

    1986-01-01

    Water quality data for groundwater were compiled for the Elko 1 degree x 2 degree quadrangle which covers a portion of Eastern Nevada. Chemical characteristics of the water are shown on a map (at a scale of 1:250,000) and on trilinear diagrams for the major ions. The data for the area are also presented in a table. (USGS)

  15. Data on ground-water quality for the Ely 1 degree x 2 degree quadrangle, eastern Nevada

    USGS Publications Warehouse

    Welch, Alan H.; Williams, Rhea P.

    1986-01-01

    Water quality data for groundwater were compiled for the Ely 1 degree x 2 degree quadrangle which covers a portion of eastern Nevada. Chemical characteristics of the water are shown on a map (at a scale of 1:250,000) and on trilinear diagrams for the major ions. The data for the area are also presented in a table. (USGS)

  16. Data on ground-water quality for the western Nevada part of the Goldfield 1 degree x 2 degree quadrangle

    USGS Publications Warehouse

    Welch, Alan H.; Williams, Rhea P.

    1987-01-01

    Water quality data for groundwater has been compiled for the Goldfield 1 degree x 2 degree quadrangle which covers a portion of western Nevada. Chemical characteristics of the water are shown on a map (at a scale of 1:250,000) and on trilinear diagrams for the major ions. The data for the area are also presented in a table. (USGS)

  17. On Association Coefficients for 2x2 Tables and Properties that Do Not Depend on the Marginal Distributions

    ERIC Educational Resources Information Center

    Warrens, Matthijs J.

    2008-01-01

    We discuss properties that association coefficients may have in general, e.g., zero value under statistical independence, and we examine coefficients for 2x2 tables with respect to these properties. Furthermore, we study a family of coefficients that are linear transformations of the observed proportion of agreement given the marginal…

  18. Draft Genome Sequence of Oenococcus oeni Strain X2L (CRL1947), Isolated from Red Wine of Northwest Argentina

    PubMed Central

    Saavedra, Lucila

    2015-01-01

    We report the draft genome sequence of Oenococcus oeni strain X2L, a potential starter culture of malolactic fermentation, isolated from Malbec wine of Argentina. Genes encoding for enzymes involved in the metabolism of malate, citrate, and nitrogen compounds, as well as aroma compounds, were found in this genome, showing its ability to improve the sensorial characteristics of wines. PMID:25555740

  19. Chemical Properties of Electronically Excited Halogen Atoms X(2P1/2) (X=F,Cl,Br,I)

    NASA Astrophysics Data System (ADS)

    Chichinin, A. I.

    2006-06-01

    The experimental data on elementary processes (collisional deactivation, chemical reactions, photodissociation) involving spin-orbitally excited X(2P1/2) atoms (X=F,Cl,Br,I) published up to the middle of 2005 are summarized in the present compilation. Critical evaluation of the data and limited comparison to theoretical calculations are also presented.

  20. High-resolution electronic spectra of yttrium oxide (YO): The D2Σ+-X2Σ+ transition

    NASA Astrophysics Data System (ADS)

    Zhang, Deping; Zhang, Qiang; Zhu, Boxing; Gu, Jingwang; Suo, Bingbing; Chen, Yang; Zhao, Dongfeng

    2017-03-01

    The D2Σ+ -X2Σ+ electronic absorption spectrum of the astrophysically relevant yttrium oxide (YO) molecule has been recorded for the first time in the 400-440 nm region using laser induced fluorescence. YO molecules are produced by corona discharge of oxygen between the tips of two yttrium needles in a supersonic jet expansion. An unambiguous spectroscopic identification of the D2Σ+ -X2Σ+ transition becomes possible from a combined analysis of the moderate-resolution laser excitation spectrum and dispersed fluorescence spectrum. We have also performed multi-state complete active space second order perturbation theory calculations on the first six doublets of YO, and the results support our assignment of the D2Σ+ state. Accurate spectroscopic constants for D2Σ+ ν ' = 0 and 1 levels have been determined from a rotational analysis of the high resolution spectra that are recorded with a resolution of ˜0.018 cm-1. Severe perturbations are observed in the experimental spectra and are considered to originate from interactions with at least one nearby 2/4Π electronic state, e.g., the undetected C2Π state. We have also measured the radiative lifetimes of B2 Σ+ ν ' = 0, and D2 Σ+ ν ' = 0 and 1 states, based on which the B2Σ+ -X2Σ+ (0, 0) and D2Σ+ -X2Σ+ (0/1, 0) band oscillator strengths have been determined.

  1. OH/A 2 Sigma + - X 2 Pi sub i/ yield from H2O photodissociation in 1050-1370 A

    NASA Technical Reports Server (NTRS)

    Lee, L. C.

    1980-01-01

    The cross section and quantum yield for the production of the OH(A 2 Sigma + - X 2 Pi sub i) emission from H2O photodissociation by synchrotron radiation in the region 1050-1370 A are determined. Measurements of the photoemission and photoabsorption cross sections obtained for incident radiation bandwidths of 2 A reveal different vibrational structures in the range 1250-1370 A, and the photoemission is attributed to the 3a1-4a1 valence and 3a1-3sa1 Rydberg transitions. Photoemission quantum yields determined from the ratio of photoemission to photoabsorption cross sections are found to increase sharply at a threshold of 1362-5 A to a peak of 11% at 1300 A, then to decrease slowly with decreasing wavelength. Implications of the results for the dissociation processes of H2O are considered.

  2. Large miscibility gap in the Ba(MnxFe1-x)2As2 system

    NASA Astrophysics Data System (ADS)

    Pandey, Abhishek; Anand, V. K.; Johnston, D. C.

    2011-07-01

    The compounds BaMn2As2 and BaFe2As2 both crystallize in the body-centered-tetragonal ThCr2Si2-type (122-type) structure at room temperature but exhibit quite different unit cell volumes and very different magnetic and electronic transport properties. Evidently reflecting these disparities, we have discovered a large miscibility gap in the system Ba(MnxFe1-x)2As2. Rietveld refinements of powder x-ray diffraction (XRD) measurements on samples slow-cooled from 1000 °C to room temperature (RT) reveal a two-phase mixture of BaMn2As2 and Ba(Mn0.12Fe0.88)2As2 phases together with impurity phases for x=0.2, 0.4, 0.5, 0.6, and 0.8. We infer that there exists a miscibility gap in this system at 300 K with composition limits 0.12≲x≲1. For samples quenched from 1000 °C to 77 K, the refinements of RT XRD data indicate that the miscibility gap at RT narrows at 1000 °C to 0.2≲x≲0.8. Samples with x=0.4, 0.5, and 0.6 quenched from 1100 to 1400 °C to 77 K contain a single 122-type phase together with significant amounts of Fe1-xMnxAs and FeAs2 impurity phases. These results indicate that the system is not a pseudobinary system over the whole composition range and that the 122-type phase has a significant homogeneity range at these temperatures. Magnetic susceptibility χ, electrical resistivity ρ, and heat capacity measurements versus temperature T of the single-phase quenched polycrystalline samples with x=0.2 and 0.8 are reported. We also report attempts to grow single crystals of the substituted compounds Ba(Mn1-xTx)2As2 (T = Cr, Fe, Co, Ni, Cu, Ru, Rh, Pd, Re, and Pt) and BaMn2(As1-xSbx)2 out of Sn flux. Energy-dispersive x-ray analyses show that most of these elements do not substitute into the lattice in amounts greater than 0.5%. However, concentrations of 4.4%, ~10% and 2.6% were achieved for Cr, Fe, and Sb substitutions, respectively, and χ(T) and ρ(T) data for these crystals are presented.

  3. Constraining Models Of The Solar Chromosphere Using An X2 Flare Observed By SDO/EVE

    NASA Astrophysics Data System (ADS)

    Venkataramanasastry, A.; Murphy, N. A.; Avrett, E.

    2013-12-01

    The GOES X2 solar flare of Feb 15, 2011 is analyzed to draw observational constraints in constructing a model of the chromosphere of the Sun during a solar flare, using the Pandora computer program [1]. Spectra from the MEGS-A&B component of EVE [2] on board the Solar Dynamics Observatory are used to analyze the lines and continuum [3]. The irradiances before and after the flare are used for modeling the time-evolution of the impulsive and decay phases of the flare. Significant increase in the intensities of multiple coronal and chromospheric emission lines (H, He, C, N, O, Si etc.) is seen. The observed increase in intensities will serve as constraints to the model program. Pandora performs iterative calculations for non-LTE radiative transfer with multiple ions and atoms. It includes the effects of particle diffusion and flow velocities in the equations of radiative transfer and ionization equilibrium. The fraction of the area on the Sun contributing to the chromospheric flare emission is presented. The upper limit for the intensity in the Lyman continuum due to the flare is accounted to be approximately 7% of that due to the entire surface area. The Lyman, He II and He I continua provide strong constraints for characterizing the chromosphere. The emission lines from the CHIANTI atomic database in these wavelength ranges are considered in order to avoid using optically thin emission lines from the corona. The behavior of changes in line features with time is analyzed. The light curves of different lines that contribute substantially to the flare spectra are studied. The temperatures at the peak of the flare with respect to that at the quiet Sun is estimated at different continuum wavelengths. The pre-flare and post-flare values from these light-curves are adapted to construct the model during the rise and decay phases. The effective intensity due to the lines and the relative times at which these lines peak are presented. The observed irradiance values for pre

  4. Antibiotics production by an actinomycete isolated from the termite gut.

    PubMed

    Matsui, Toru; Tanaka, Junichi; Namihira, Tomoyuki; Shinzato, Naoya

    2012-12-01

    As well as the search for new antibiotics, a new resource or strains for the known antibiotics is also important. Microbial symbionts in the gut of termites could be regarded as one of the feasible resource for such purpose. In this study, antibiotic-producing actinomycetes were screened from symbionts of the termite gut. 16SrRNA sequence analysis for the 10 isolates revealed that they belong to actinomycetes such as Streptomyces sp., Kitasatospora sp., and Mycobacterium sp. A culture broth from one of the isolate, namely strain CA1, belonging to the genera Streptomyces exhibited antagonistic activity against actinomycetes (Micrococcus spp.), gram-positive bacteria (Bacillus spp.), and yeast (Candida spp.). The structures of 2 compounds isolated from the culture broth of the strain CA1 were identified as those of actinomycin X2 and its analog, D. This study is the first to report that some symbionts of the termite gut are antibiotic-producing actinomycetes, and suggest that the termite gut is a feasible resource for bioprospecting.

  5. Geologic map of outcrop areas of sedimentary units in the eastern part of the Hailey 1 degree x 2 degrees quadrangle and part of the southern part of the Challis 1 degree x 2 degrees quadrangle, south-central Idaho

    USGS Publications Warehouse

    Link, P.K.; Mahoney, J.B.; Bruner, D.J.; Batatian, L.D.; Wilson, Eric; Williams, F.J.C.

    1995-01-01

    The paper version of the Geologic map of outcrop areas of sedimentary units in the eastern part of the Hailey 1x2 Quadrangle and part of the southern part of the Challis 1x2 Quadrangle, south-central Idaho was compiled by Paul Link and others in 1995. The plate was compiled on a 1:100,000 scale topographic base map. TechniGraphic System, Inc. of Fort Collins Colorado digitized this map under contract for N.Shock. G.Green edited and prepared the digital version for publication as a GIS database. The digital geologic map database can be queried in many ways to produce a variety of geologic maps.

  6. Magnetooptical Characterization of Clb-Type Heusler Compounds, Pt1-x/2Mn1+xSb1-x/2 (x{=}-0.1 and 0, 0.1)

    NASA Astrophysics Data System (ADS)

    Takanashi, Kōki; Sato, Katsuaki; Watanabe, Jun; Sato, Yumiko; Fujimori, Hiroyasu

    1991-01-01

    Diagonal (\\varepsilonxx) and off-diagonal (\\varepsilonxy) elements of the dielectric tensor for a polished surface of a bulk sample of stoichiometric PtMnSb were obtained from the measured spectra of reflectance (R), magnetooptical Kerr rotation (θK) and ellipticity (ηK). The enhancement of θK by annealing was found to be due mainly to the decrease in the imaginary part of \\varepsilonxx. The magnetooptical absorption spectrum was in good agreement with that estimated from the joint density of states calculated by van der Heide et al. The spectra of \\varepsilonxx and \\varepsilonxy were also obtained for nonstoichiometric Pt1-x/2Mn1+xSb1-x/2 (x{=}-0.1 and 0.1). It was suggested that the band structure was changed by the existence of excess Mn atoms.

  7. Air Traffic Control Radar, Aircraft Control and Warning Radar, and Automatic Tracking Radar Specialties AFSs 303X1, 303X2, and 303X3. Volume I.

    DTIC Science & Technology

    1981-05-01

    standard job inventory, an Electronics Principles inventory (EPI) was administered to approximately 1200 303X1, 303X2, and 303X3 incumbents. The EPI is a...reveals that 51 303X1 first enlistment personnel require the most extensive electronics principles knowledge to adequately perform their job. Forty-eight...303X2 or 303X3 radars or associated equipment with a minimum of training, while more extensive electronics principles training would be needed by 303X2 or

  8. Fourier Transform Spectroscopy of theA2Σ+-X2ΠiTransition of AgO

    NASA Astrophysics Data System (ADS)

    O'Brien, L. C.; Wall, S. J.; Sieber, M. K.

    1997-05-01

    TheA2Σ+-X2Πinear-infrared electronic transition of AgO was observed for the first time. The spectrum was recorded with the high resolution Fourier transform spectrometer associated with the McMath-Pierce Solar Telescope at Kitt Peak. The excited AgO molecules were produced in a low pressure silver hollow cathode sputter source. Constants for theA2Σ+state of107AgO and109AgO and improvedX2Πiconstants for107AgO and109AgO are presented. These two states are not a unique perturber pair and they do not follow the pure precession model.

  9. Quantum chemical calculations of anion complex [B12Hx(CF3)12-x]2-, x = 9 - 12

    NASA Astrophysics Data System (ADS)

    Koblova, Elena A.; Saldin, Vitaly I.; Ustinov, Alexander Yu.

    2016-12-01

    The geometric, energetic, spectral and electronic properties of the most stable isomers of B12Hx(CF3)12-X2- anion complex with x = 9 - 12 have been studied using Density Functional Theory (B3LYP/6-311++G**). It was shown that these isomers are characterized by the preference to form the most symmetric structures with uniformly distributed charge densities. However, when replacing a hydrogen atom with fluoromethyl group, an inductive effect occurs. Blue shifts in the IR spectrum compared to the vibrations of the free CF3 molecule are in the range of 2 - 69 cm-1 and points to the stability of B12Hx(CF3)12-x2- anions.

  10. Structures and aromaticity of X(2)Y(2)(-) (X = C, Si, Ge and Y = N, P, As) anions.

    PubMed

    Xu, Wen Guo; Zhang, Yuan Chun; Lu, Shi Xiang; Zhang, Rui Chun

    2009-11-01

    The equilibrium geometries, total energies, and vibrational frequencies of anions X(2)Y(2)(-) (X = C, Si, Ge and Y = N, P, As) are theoretically investigated with density functional theory (DFT) method. Our calculation shows that for C(2)N(2)(-) species, the D(2h) isomer is the most stable four-membered structure, and for other species the C(2v) isomer in which two X atoms are contrapuntal is the most stable structure at the B3LYP/6-311 +G(*) level. Wiberg bond index (WBI) and negative nucleus-independent chemical shift (NICS) value indicate the existence of delocalization in stable X(2)Y(2)(-) structures. A detailed molecular orbital (MO) analysis further reveals that stable isomers of these species have strongly aromatic character, which strengthens the structural stability and makes them closely connected with the concept of aromaticity.

  11. Ab initio potential energy surfaces describing the interaction of CH(X2Π) with H2

    NASA Astrophysics Data System (ADS)

    Dagdigian, Paul J.

    2016-09-01

    We have determined four-dimensional ab initio quasi-diabatic potential energy surfaces describing the interaction of CH(X2Π) with H2, under the assumption of fixed CH and H2 internuclear separations. These calculations employed the multi-reference configuration interaction method [MRCISD+Q(Davidson)]. The computed points were fit to an analytical form suitable for time-independent quantum scattering calculations of rotationally inelastic cross sections and rate constants.

  12. Aircraft Control and Warning (AC & W) Radar Career Ladder AFSC 303X2. Electronics Principles Inventory (EPI).

    DTIC Science & Technology

    1981-02-01

    UNCLASSIFIED N EEEh EE-E I flffl~f~fl.flfllflf i. UNITED STATES AIR FORCE NMI ELECTRONICS PRINCIPLES INVENTORY (EPI), -AIRCRAFT CONTROL AND WARNING (AC & W...Air Force Electronics Principles Survey of the Aircraft Control and Warning (AC & W) Radar career ladder (AFSC 303X2). The project was undertaken at the...request of Mr. James R. Haupt, Training Manager, Keesler AFB, MS. Authority for con- ducting electronics principles inventories is contained in AER

  13. Theoretical study of the dipole moment function of the X2Sigma(+) state of CN. [in comets

    NASA Technical Reports Server (NTRS)

    Langhoff, Stephen R.; Bauschlicher, Charles W., Jr.

    1989-01-01

    The X2Sigma(+) state dipole moment function of CN is determined from accurate ab initio calculations. The calculated Einstein coefficient of 13.0 /s for the fundamental 1-0 vibrational band is in excellent agreement with the value measured by Treffers (1975) using a King furnace. The theoretical vibrational band strengths should be valuable in interpreting the fluorescence spectrum of CN in comets.

  14. Probing the electronic structures of low oxidation-state uranium fluoride molecules UFx- (x=2-4)

    SciTech Connect

    Li, Wei-Li; Hu, Hanshi; Jian, Tian; Lopez, Gary V.; Su, Jing; Li, Jun; Wang, Lai-Sheng

    2013-12-28

    We report the experimental observation of gaseous UFx- (x = 2-4) anions, which are investigated using photoelectron spectroscopy and relativistic quantum chemistry. Vibrationally resolved photoelectron spectra are obtained for all three species and the electron affinities of UFx (x = 2-4) are measured to be 1.16(3), 1.09(3), and 1.58(3) eV, respectively. Significant multi-electron transitions are observed in the photoelectron spectra of U(5f(3)7s(2)) F-2(-), as a result of strong electron correlation effects of the two 7s electrons. The U-F symmetric stretching vibrational modes are resolved for the ground states of all UFx (x = 2-4) neutrals. Theoretical calculations are performed to qualitatively understand the photoelectron spectra. The entire UFx- and UFx (x = 1-6) series are considered theoretically to examine the trends of U-F bonding and the electron affinities as a function of fluorine coordination. The increased U-F bond lengths and decreased bond orders from UF2- to UF4- indicate that the U-F bonding becomes weaker as the oxidation state of U increases from I to III. (C) 2013 AIP Publishing LLC.

  15. ConnectX-2 CORE-Direct Enabled Asynchronous Broadcast Collective Communications

    SciTech Connect

    Gorentla Venkata, Manjunath; Graham, Richard L; Ladd, Joshua S; Shamis, Pavel; Rabinovitz, Ishai; Filipov, Vasily; Shainer, Gilad

    2011-01-01

    This paper describes the design and implementation of InfiniBand (IB) CORE-Direct based blocking and nonblocking broadcast operations within the Cheetah collective operation framework. It describes a novel approach that fully ofFLoads collective operations and employs only user-supplied buffers. For a 64 rank communicator, the latency of CORE-Direct based hierarchical algorithm is better than production-grade Message Passing Interface (MPI) implementations, 150% better than the default Open MPI algorithm and 115% better than the shared memory optimized MVAPICH implementation for a one kilobyte (KB) message, and for eight mega-bytes (MB) it is 48% and 64% better, respectively. Flat-topology broadcast achieves 99.9% overlap in a polling based communication-computation test, and 95.1% overlap for a wait based test, compared with 92.4% and 17.0%, respectively, for a similar Central Processing Unit (CPU) based implementation.

  16. Ab initio study on the spectroscopy of CuCl2. II. Benchmark calculations on the X 2Πg-C 2Δg and X 2Πg-D 2Δg transitions

    NASA Astrophysics Data System (ADS)

    Ramírez-Solís, A.; Daudey, J. P.

    2005-01-01

    The X 2Πg-C2Δg and X 2Πg-D2Δg transitions on CuCl2 have been studied using the most sophisticated nondynamic and dynamic electronic correlation treatments. We report here ab initio benchmark calculations using especially developed basis sets to study, at the complete active space self-consistent field plus second-order Möller-Plesset algorithm (CASSCF+CASPT2) and CASSCF+ACPF levels, the transition energies as well as the corresponding equilibrium geometries (ACPF—averaged coupled pair functional). The spin-orbit (SO) effects of both atoms were included in a second step through the effective Hamiltonian formalism, using the calibrated SO effective potentials developed by the Stuttgart group. Without SO at the CASSCF+ACPF level, the vertical excitation energy for the 2Δg state is 6711 cm-1 and the symmetric stretching equilibrium Cu-Cl distance is 4.04 a.u. The inclusion of the SO effects leads to a pure 2Δg Ω=5/2C state and a Ω=3/2 (0.7% 2Πg,99.3%2Δg)D state. The calculated transition energies for the C and D states are 6340 and 8020 cm-1, in good agreement with the spin-orbit splitting recent values from gas-phase and rare-gas matrix isolation laser induced fluorescence experiments. The present benchmark results show, as was recently done for the X 2Πg-2Σg transition, the rather poor performance of all the density functional theory-based descriptions for the 2Δg state, which largely overestimate its Te, systematically placing it around 19 000 cm-1. The CASSCF+CASPT2 method also overestimates, by around 50%, the X 2Πg-2Δg transition energy, showing that only large variational calculations can produce reliable spectroscopic results for this kind of complex systems where delicate electronic correlation effects have to be carefully dealt with.

  17. Microbial antibiotic production aboard the International Space Station.

    PubMed

    Benoit, M R; Li, W; Stodieck, L S; Lam, K S; Winther, C L; Roane, T M; Klaus, D M

    2006-04-01

    Previous studies examining metabolic characteristics of bacterial cultures have mostly suggested that reduced gravity is advantageous for microbial growth. As a consequence, the question of whether space flight would similarly enhance secondary metabolite production was raised. Results from three prior space shuttle experiments indicated that antibiotic production was stimulated in space for two different microbial systems, albeit under suboptimal growth conditions. The goal of this latest experiment was to determine whether the enhanced productivity would also occur with better growth conditions and over longer durations of weightlessness. Microbial antibiotic production was examined onboard the International Space Station during the 72-day 8A increment. Findings of increased productivity of actinomycin D by Streptomyces plicatus in space corroborated with previous findings for the early sample points (days 8 and 12); however, the flight production levels were lower than the matched ground control samples for the remainder of the mission. The overall goal of this research program is to elucidate the specific mechanisms responsible for the initial stimulation of productivity in space and translate this knowledge into methods for improving efficiency of commercial production facilities on Earth.

  18. Super-eddington accretion in the ultraluminous x-ray source NGC 1313 X-2: An ephemeral feast

    SciTech Connect

    Weng, Shan-Shan; Zhang, Shuang-Nan; Zhao, Hai-Hui E-mail: zhangsn@ihep.ac.cn

    2014-01-10

    We investigate the X-ray spectrum, variability, and the surrounding ionized bubble of NGC 1313 X-2 to explore the physics of super-Eddington accretion. Beyond the Eddington luminosity, the accretion disk of NGC 1313 X-2 is truncated at a large radius (∼50 times the innermost stable circular orbit), and displays the similar evolution track with both luminous Galactic black-hole and neutron star X-ray binaries (XRBs). In super-critical accretion, the speed of radiatively driven outflows from the inner disk is mildly relativistic. Such ultra-fast outflows would be overionized and might produce weak Fe K absorption lines, which may be detected by the coming X-ray mission Astro-H. If NGC 1313 X-2 is a massive stellar XRB, the high luminosity indicates that an ephemeral feast is held in the source. That is, the source must be accreting at a hyper-Eddington mass rate to give the super-Eddington emission over ∼10{sup 4}-10{sup 5} yr. The expansion of the surrounding bubble nebula with a velocity of ∼100 km s{sup –1} might indicate that it has existed over ∼10{sup 6} yr and is inflated by the radiatively driven outflows from the transient with a duty cycle of activity of ∼ a few percent. Alternatively, if the surrounding bubble nebula is produced by line-driven winds, less energy is required than the radiatively driven outflow scenario, and the radius of the Strömgren radius agrees with the nebula size. Our results are in favor of the line-driven winds scenario, which can avoid the conflict between the short accretion age and the apparently much longer bubble age inferred from the expansion velocity in the nebula.

  19. A Rutile Chevron Modulation in Delafossite-Like Ga3-xIn3TixO9+x/2.

    PubMed

    Rickert, Karl; Boullay, Philippe; Malo, Sylvie; Caignaert, Vincent; Poeppelmeier, Kenneth R

    2016-05-02

    The structure solution of the modulated, delafossite-related, orthorhombic Ga3-xIn3TixO9+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 A3-xIn3TixO9+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 the structure of Ga1.5In3Ti1.5O9.75. 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 Ga3-xIn3TixO9+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.

  20. Modulation of P2X3 and P2X2/3 Receptors by Monoclonal Antibodies.

    PubMed

    Shcherbatko, Anatoly; Foletti, Davide; Poulsen, Kris; Strop, Pavel; Zhu, Guoyun; Hasa-Moreno, Adela; Melton Witt, Jody; Loo, Carole; Krimm, Stellanie; Pios, Ariel; Yu, Jessica; Brown, Colleen; Lee, John K; Stroud, Robert; Rajpal, Arvind; Shelton, David

    2016-06-03

    Purinergic homomeric P2X3 and heteromeric P2X2/3 receptors are ligand-gated cation channels activated by ATP. Both receptors are predominantly expressed in nociceptive sensory neurons, and an increase in extracellular ATP concentration under pathological conditions, such as tissue damage or visceral distension, induces channel opening, membrane depolarization, and initiation of pain signaling. Hence, these receptors are considered important therapeutic targets for pain management, and development of selective antagonists is currently progressing. To advance the search for novel analgesics, we have generated a panel of monoclonal antibodies directed against human P2X3 (hP2X3). We have found that these antibodies produce distinct functional effects, depending on the homomeric or heteromeric composition of the target, its kinetic state, and the duration of antibody exposure. The most potent antibody, 12D4, showed an estimated IC50 of 16 nm on hP2X3 after short term exposure (up to 18 min), binding to the inactivated state of the channel to inhibit activity. By contrast, with the same short term application, 12D4 potentiated the slow inactivating current mediated by the heteromeric hP2X2/3 channel. Extending the duration of exposure to ∼20 h resulted in a profound inhibition of both homomeric hP2X3 and heteromeric hP2X2/3 receptors, an effect mediated by efficient antibody-induced internalization of the channel from the plasma membrane. The therapeutic potential of mAb12D4 was assessed in the formalin, complete Freund's adjuvant, and visceral pain models. The efficacy of 12D4 in the visceral hypersensitivity model indicates that antibodies against P2X3 may have therapeutic potential in visceral pain indications.

  1. Microwave magnetic and absorption properties of Li0.5Mn x/2Zn0.75- x/2Fe2O4 soft nano ferrites prepared by Sol-Gel auto combustion method

    NASA Astrophysics Data System (ADS)

    Anwar, Humaira; Maqsood, Asghari

    2013-09-01

    Polycrystalline nano ferrites with composition Li0.5Mn x/2Zn0.75- x/2Fe2O4 ( x = 0.0, 0.3, 0.6, 0.9, and 1.2) were prepared from sol-gel auto combustion method. The formation of single phase cubic spinel structure was confirmed from XRD analysis and IR-spectroscopy (FT-IR), particle morphology with scanning electron microscopy (SEM) and DC electrical resistivity from two probe method. Electromagnetic measurements were performed from 1 MHz - 1 GHz. The results showed Mn addition improves the magneto-dielectric properties of the prepared samples. The low magnetic loss in very high frequency and ultra-high frequency (VHFUHF) makes them useful in miniaturizing the antennas in the frequency range 1MHz to 1000 MHz. The high reflection loss (RL) of 45 dB for x = 0 and relatively wide-band gap made them suitable to use in the lower micro wave (MW) region.

  2. Photofraction of a 5 cm x 2 cm BGO scintillator. [bismuth germanate crystal for use in cosmic gamma ray detector

    NASA Technical Reports Server (NTRS)

    Dunphy, P. P.; Forrest, D. J.

    1985-01-01

    The photofraction of a 5.1 cm x 2.0 cm bismuth germanate (BGO) scintillator was measured over a gamma-ray energy range of 0.2 to 6.1 MeV. Several methods, used to minimize the effect of room scattering on the measurement, are discussed. These include a gamma-gamma coincidence technique, a beta-gamma coincidence technique, and the use of sources calibrated with a standard 7.6 cm x 7.6 cm sodium iodide scintillator.

  3. Anti-cancer palladium complexes: a focus on PdX2L2, palladacycles and related complexes.

    PubMed

    Kapdi, Anant R; Fairlamb, Ian J S

    2014-07-07

    Much success has been achieved with platinum-based chemotherapeutic agents, i.e. through interactions with DNA. The long-term application of Pt complexes is thwarted by issues, leading scientists to examine other metals such as palladium which could exhibit complementary modes of action (given emphasis wherever known). Over the last 10 years several research groups have focused on the application of an eclectic array of palladium complexes (of the type PdX2L2, palladacycles and related structures) as potential anti-cancer agents. This review therefore provides readers with an up to date account of the advances that have taken place over the past several decades.

  4. Efficient visible light-induced degradation of rhodamine B by W(NxS1−x)2 nanoflowers

    PubMed Central

    Liu, Peitao; Zhang, Jingyan; Gao, Daqiang; Ye, Weichun

    2017-01-01

    Here, W(NxS1−x)2 nanoflowers were fabricated by simple sintering process. Photocatalytic activity results indicated our fabricated N-doped WS2 nanoflowers shown outstanding photoactivity of degradating of rhodamine B with visible light. Which is attributed to the high separation efficiency of photoinduced electron–hole pairs, the broadening of the valence band (VB), and the narrowing of energy band gap. Meanwhile, our work provided a novel method to induce surface sulfur vacancies in crystals by introduing impurities atoms for enhancing their photodegradation. PMID:28106096

  5. Jet Engine Mechanic and Turboprop Propulsion Mechanic Career Ladders AFSCs 426X2/426X3.

    DTIC Science & Technology

    1982-04-01

    426X2/426X3 AFPT 90-426-424AFT~~APRIL 1982 " ’! USAF OCCUPATIONAL MEASUREMENT CENTER AIR TRAINING COMMAND o RANDOLPH AFB, TEXAS 78150 APPROVED FOR...very good representation of the career ladder populations. - I c 4 2"i 00 z- w c~, n 0 C4 a4- 0 L 0 a. 0 C) z oIa nr x~ 0.- O w 4- 4 CI ) 0 x E. P4 C1 ~L4...personnel (95 percent of the group), 61 percrnt o , he incumbents hold DAFSC 42653 and 18 percent report DAFSC 42673. With the vast majority assigned to

  6. Growth, characterization, and transport properties of ternary (Bi1-x Sb x )2Te3 topological insulator layers.

    PubMed

    Weyrich, C; Drögeler, M; Kampmeier, J; Eschbach, M; Mussler, G; Merzenich, T; Stoica, T; Batov, I E; Schubert, J; Plucinski, L; Beschoten, B; Schneider, C M; Stampfer, C; Grützmacher, D; Schäpers, Th

    2016-12-14

    Ternary (Bi1-x Sb x )2Te3 films with an Sb content between 0 and 100% were deposited on a Si(1 1 1) substrate by means of molecular beam epitaxy. X-ray diffraction measurements confirm single crystal growth in all cases. The Sb content is determined by x-ray photoelectron spectroscopy. Consistent values of the Sb content are obtained from Raman spectroscopy. Scanning Raman spectroscopy reveals that the (Bi1-x Sb x )2Te3 layers with an intermediate Sb content show spatial composition inhomogeneities. The observed spectra broadening in angular-resolved photoemission spectroscopy (ARPES) is also attributed to this phenomena. Upon increasing the Sb content from x  =  0 to 1 the ARPES measurements show a shift of the Fermi level from the conduction band to the valence band. This shift is also confirmed by corresponding magnetotransport measurements where the conductance changes from n- to p-type. In this transition region, an increase of the resistivity is found, indicating a location of the Fermi level within the band gap region. More detailed measurements in the transition region reveals that the transport takes place in two independent channels. By means of a gate electrode the transport can be changed from n- to p-type, thus allowing a tuning of the Fermi level within the topologically protected surface states.

  7. A possible 55-d X-ray period of the ultraluminous accreting pulsar M82 X-2

    NASA Astrophysics Data System (ADS)

    Kong, Albert K. H.; Hu, Chin-Ping; Lin, Lupin Chun-Che; Li, K. L.; Jin, Ruolan; Liu, C. Y.; Yen, David Chien-Chang

    2016-10-01

    We report on the possible detection of a 55-d X-ray modulation for the ultraluminous accreting pulsar M82 X-2 from archival Chandra observations. Because M82 X-2 is known to have a 2.5-d orbital period, if the 55-d period is real, then it will be the superorbital period of the system. We also investigated variabilities of three other nearby ultraluminous X-ray sources in the central region of M82 with the Chandra data, and we did not find any evidence of periodicities. Furthermore, we re-examined the previously reported 62-d periodicity near the central region of M82 by performing a systematic timing study with all the archival Rossi X-Ray Timing Explorer and Swift data. Using various dynamic timing analysis methods, we have confirmed that the 62-d period is not stable, suggesting that it is not the orbital period of M82 X-1; this is in agreement with previous work.

  8. Geology of the Delta, Escalante, Price, Richfield, and Salina 1/sup 0/ x 2/sup 0/ quadrangles, Utah

    SciTech Connect

    Thayer, P.A.

    1981-11-01

    The National Uranium Resource Evaluation (NURE) program was established to evaluate domestic uranium resources in the continental United States and to identify areas favorable for uranium exploration. The Grand Junction Office of the Department of Energy is responsible for administering the program. The Savannah River Laboratory (SRL) is responsible for hydrogeochemical and stream-sediment reconnaissance (HSSR) of 3.9 million km/sup 2/ (1,500,000 mi/sup 2/) in 37 eastern and western states. This document provides geologic and mineral resources reports for the Delta, Escalante, Price, Richfield, and Salina 1/sup 0/ x 2/sup 0/ National Topographic Map Series quadrangles, Utah. The purpose of these reports is to provide background geologic and mineral resources information to aid in the interpretation of NURE geochemical reconnaissance data. Except for the Escalante Quadrangle, each report is accompanied by a geologic map and a mineral locality map (Plates 1-8, in pocket). The US Geological Survey previously published a 1/sup 0/ x 2/sup 0/ geologic map of the Escalante Quadrangle and described the uranium deposits in the area (Hackman and Wyant, 1973). NURE hydrogeochemical and stream-sediment reconnaissance data for these quadrangles have been issued previously in some of the reports included in the references.

  9. Strain tunable magnetism in SnX2 (X = S, Se) monolayers by hole doping

    NASA Astrophysics Data System (ADS)

    Xiang, Hui; Xu, Bo; Xia, Yidong; Yin, Jiang; Liu, Zhiguo

    2016-12-01

    By first-principles calculations, the magnetism of hole doped tin dichalcogenides SnX2 (X = S, Se) monolayers is systematically studied. It is found that a phase transition from nonmagnetic to ferromagnetic ground state appears once above the critical hole density (~1014 cm‑2). The spin magnetic moment can maintain a magnitude of 1.0 μB/hole with excellent stability of ferromagnetic state. Furthermore, we demonstrate that strain is very useful to modulate the DOS near the valence band, resulting in the reduction of the critical hole density to ~1013 cm‑2 when the strain reaches 4% (6%) in SnS2 (SnSe2), which can be realized in common field effect transistors. Moreover, the phonon dispersion calculations for the strained SnX2 monolayers indicate that they can keep the dynamical stability under the hole doping. Therefore, the strain tunable magnetic transition in hole doped tin dichalcogenides indicates their potential promising applications in spintronic devices.

  10. Growth, characterization, and transport properties of ternary (Bi1-x Sb x )2Te3 topological insulator layers

    NASA Astrophysics Data System (ADS)

    Weyrich, C.; Drögeler, M.; Kampmeier, J.; Eschbach, M.; Mussler, G.; Merzenich, T.; Stoica, T.; Batov, I. E.; Schubert, J.; Plucinski, L.; Beschoten, B.; Schneider, C. M.; Stampfer, C.; Grützmacher, D.; Schäpers, Th

    2016-12-01

    Ternary (Bi1-x Sb x )2Te3 films with an Sb content between 0 and 100% were deposited on a Si(1 1 1) substrate by means of molecular beam epitaxy. X-ray diffraction measurements confirm single crystal growth in all cases. The Sb content is determined by x-ray photoelectron spectroscopy. Consistent values of the Sb content are obtained from Raman spectroscopy. Scanning Raman spectroscopy reveals that the (Bi1-x Sb x )2Te3 layers with an intermediate Sb content show spatial composition inhomogeneities. The observed spectra broadening in angular-resolved photoemission spectroscopy (ARPES) is also attributed to this phenomena. Upon increasing the Sb content from x  =  0 to 1 the ARPES measurements show a shift of the Fermi level from the conduction band to the valence band. This shift is also confirmed by corresponding magnetotransport measurements where the conductance changes from n- to p-type. In this transition region, an increase of the resistivity is found, indicating a location of the Fermi level within the band gap region. More detailed measurements in the transition region reveals that the transport takes place in two independent channels. By means of a gate electrode the transport can be changed from n- to p-type, thus allowing a tuning of the Fermi level within the topologically protected surface states.

  11. First-principle investigation on the thermodynamics of X2N2O (X = C, Si, Ge) compounds

    NASA Astrophysics Data System (ADS)

    Qing-Yun, Xiong; Qi-Xia, Shen; Rui-Zi, Li; Jiang, Shen; Fu-Yang, Tian

    2016-02-01

    The structures under different pressures, elastic properties, electronic structures and lattice vibrations of the X2N2O (X = C, Si, Ge) compounds are investigated by using the first-principle method. Based on the phonon density of state, the thermodynamic properties of the present compounds are studied under different pressures and at different temperatures. The structural parameters including the bond lengths and bond angles are in agreement with available experimental measurements and theoretical calculations. We employ the elastic theory to calculate the nine independent elastic constants (Ci j) and the derived elastic moduli (B, G, E, v). Results indicate that these X2N2O (X = C, Si, Ge) compounds are mechanically stable and show the brittle behaviors. The electronic properties of the present compounds are analyzed by using the band structure and density of states. The phonon dispersion calculations imply that the present compounds are dynamically stable. Based on the quasi-harmonic approximation, the calculations of the specific heat indicate that the temperature in a range of 0 K-1500 K and pressure in a range of 0 GPa-40 GPa have a large effect on the thermal quantities of Ge2N2O, compared with on those of the C2N2O and Si2N2O compounds. Project supported by the Fundamental Research Funds for the Central Universities, China (Grant No. FRF-TP-14-029Al).

  12. Strain tunable magnetism in SnX2 (X = S, Se) monolayers by hole doping

    PubMed Central

    Xiang, Hui; Xu, Bo; Xia, Yidong; Yin, Jiang; Liu, Zhiguo

    2016-01-01

    By first-principles calculations, the magnetism of hole doped tin dichalcogenides SnX2 (X = S, Se) monolayers is systematically studied. It is found that a phase transition from nonmagnetic to ferromagnetic ground state appears once above the critical hole density (~1014 cm−2). The spin magnetic moment can maintain a magnitude of 1.0 μB/hole with excellent stability of ferromagnetic state. Furthermore, we demonstrate that strain is very useful to modulate the DOS near the valence band, resulting in the reduction of the critical hole density to ~1013 cm−2 when the strain reaches 4% (6%) in SnS2 (SnSe2), which can be realized in common field effect transistors. Moreover, the phonon dispersion calculations for the strained SnX2 monolayers indicate that they can keep the dynamical stability under the hole doping. Therefore, the strain tunable magnetic transition in hole doped tin dichalcogenides indicates their potential promising applications in spintronic devices. PMID:27991527

  13. Strain tunable magnetism in SnX2 (X = S, Se) monolayers by hole doping.

    PubMed

    Xiang, Hui; Xu, Bo; Xia, Yidong; Yin, Jiang; Liu, Zhiguo

    2016-12-19

    By first-principles calculations, the magnetism of hole doped tin dichalcogenides SnX2 (X = S, Se) monolayers is systematically studied. It is found that a phase transition from nonmagnetic to ferromagnetic ground state appears once above the critical hole density (~10(14) cm(-2)). The spin magnetic moment can maintain a magnitude of 1.0 μB/hole with excellent stability of ferromagnetic state. Furthermore, we demonstrate that strain is very useful to modulate the DOS near the valence band, resulting in the reduction of the critical hole density to ~10(13) cm(-2) when the strain reaches 4% (6%) in SnS2 (SnSe2), which can be realized in common field effect transistors. Moreover, the phonon dispersion calculations for the strained SnX2 monolayers indicate that they can keep the dynamical stability under the hole doping. Therefore, the strain tunable magnetic transition in hole doped tin dichalcogenides indicates their potential promising applications in spintronic devices.

  14. Nucleotide carriers for anti-tumour actinomycin antibiotics.

    PubMed

    Vekshin, N L; Kovalev, V I

    2016-01-01

    We have investigated a number of complexes of 7-aminoactinomycin D (7AAMD), with its potential carriers: caffeine, folic acid (FA), purine bases-guanine and adenine, pyrimidine base-thymine and with fragmented DNA to determine more stable and suitable complex. The process of binding of the fluorescent antibiotic with clusters of caffeine, guanine, adenine, thymine and with fragmented DNA was accompanied by a considerable long-wavelength shift in excitation spectrum. The energy of interaction between phenoxazine hetero-cycle of 7AAMD and chromophores of the carriers studied has been found. In the case of 7AAMD with guanine, adenine, thymine and caffeine, the energy is about of 7 kcal/mol, which is a little lower than in the case with DNA (7.7 kcal/mol). On the basis of emission spectra, in all examined compounds, with the exception DNA, the 7AAMD molecule emits photons from water phase, not from a cluster, since photo-excitation leads to desorption of the antibiotic from a cluster surface. We observed also the mutual fluorescence quenching of 7AAMD and FA in their complex. It may well be that this complex forms due to interaction of peptide-lactone rings of 7AAMD with system of FA. In the case of DNA, the complex with 7AAMD has very high stability that is determined not only by interaction between phenoxazine of 7AAMD and the DNA bases, but it is largely owing to the interaction between two peptide-lactone rings of 7AAMD and the DNA deoxyribose-phosphate chains.

  15. Quantum mechanical modeling for the GeX(2)/GeHX + GeH(4) reactions (X = H, F, Cl, and Br).

    PubMed

    Bundhun, Ashwini; Blowers, Paul; Ramasami, Ponnadurai; Schaefer, Henry F

    2010-04-01

    A systematic theoretical investigation was carried out to study the reactions of various germylenes with germane. Molecular structures of the reactants (GeX(2) and GeHX, where X = H, F, Cl and Br) plus GeH(4), transition states, and products have been optimized to understand the effects of halo-substituted germylenes. The basis set used is of double-zeta plus polarization quality with additional s- and p-type diffuse functions. Consistent with experiment, the theoretical gas-phase reaction GeH(2) + GeH(4) --> Ge(2)H(6) possesses a negative activation energy. The predicted activation energies reveal interesting trends for both mono- and di- halo-substituted germylenes, -1.5 [GeH(2)], +20.5 [GeHF], +59.9 [GeF(2)], +18.0 [GeHCl], +46.8 [GeCl(2)], +17.3 [GeHBr], and +42.9 kcal mol(-1) [GeBr(2)]. There is a noteworthy relationship between the activation energies and the singlet-triplet splittings of the divalent germylenes. We report for the first time rate constants for the transfer of hydrogen, evaluated using standard transition-state theory with tunneling corrections. These results are analyzed and compared to the available experimental and previous theoretical findings for the gas-phase reactions involving germylene derivatives and germanium analogues.

  16. Syntheses and reactivities of stable halosilylenoids, (Tsi)X2SiLi (Tsi=C(SiMe3)3, X=Br, Cl).

    PubMed

    Lee, Myong Euy; Cho, Hyeon Mo; Lim, Young Mook; Choi, Jin Kyong; Park, Chang Hee; Jeong, Seong Eun; Lee, Uk

    2004-01-23

    Halosilylenoids, stable at room temperature (Tsi)X(2)SiLi (Tsi=C(SiMe(3))(3), X=Br, Cl), were synthesized from the reaction of TsiSiX(3) with lithium naphthalenide. Bromosilylenoid reacted with tBuOH and MeI both at -78 degrees C and at room temperature to give (Tsi)HSiBr(2) and (Tsi)MeSiBr(2), respectively, in high yields; this clearly shows its nucleophilicity. In the reaction of bromosilylenoid with methanol, 2-propanol, and 2,3-dimethyl-1,3-butadiene, the corresponding products, (Tsi)HSi(OMe)(2), (Tsi)HSi(OiPr)Br, and bromo(Tsi)silacyclopent-3-ene, were obtained in high yields; this demonstrates its amphiphilic property, as if bromosilylene would be trapped. Chlorosilylenoid also exhibited both nucleophilic and amphiphilic properties. The (29)Si chemical shifts for (Tsi)Br(2)SiLi, (Tsi)Br(2)SiK, and (Tsi)Cl(2)SiLi were 106, 70, and 87 ppm, respectively.

  17. A crossed molecular beam and ab-initio investigation of the reaction of boron monoxide (BO; X2Σ+) with methylacetylene (CH3CCH; X1A1): competing atomic hydrogen and methyl loss pathways.

    PubMed

    Maity, Surajit; Parker, Dorian S N; Dangi, Beni B; Kaiser, Ralf I; Fau, Stefan; Perera, Ajith; Bartlett, Rodney J

    2013-11-21

    The gas-phase reaction of boron monoxide ((11)BO; X(2)Σ(+)) with methylacetylene (CH3CCH; X(1)A1) was investigated experimentally using crossed molecular beam technique at a collision energy of 22.7 kJ mol(-1) and theoretically using state of the art electronic structure calculation, for the first time. The scattering dynamics were found to be indirect (complex forming reaction) and the reaction proceeded through the barrier-less formation of a van-der-Waals complex ((11)BOC3H4) followed by isomerization via the addition of (11)BO(X(2)Σ(+)) to the C1 and/or C2 carbon atom of methylacetylene through submerged barriers. The resulting (11)BOC3H4 doublet radical intermediates underwent unimolecular decomposition involving three competing reaction mechanisms via two distinct atomic hydrogen losses and a methyl group elimination. Utilizing partially deuterated methylacetylene reactants (CD3CCH; CH3CCD), we revealed that the initial addition of (11)BO(X(2)Σ(+)) to the C1 carbon atom of methylacetylene was followed by hydrogen loss from the acetylenic carbon atom (C1) and from the methyl group (C3) leading to 1-propynyl boron monoxide (CH3CC(11)BO) and propadienyl boron monoxide (CH2CCH(11)BO), respectively. Addition of (11)BO(X(2)Σ(+)) to the C1 of methylacetylene followed by the migration of the boronyl group to the C2 carbon atom and/or an initial addition of (11)BO(X(2)Σ(+)) to the sterically less accessible C2 carbon atom of methylacetylene was followed by loss of a methyl group leading to the ethynyl boron monoxide product (HCC(11)BO) in an overall exoergic reaction (78 ± 23 kJ mol(-1)). The branching ratios of these channels forming CH2CCH(11)BO, CH3CC(11)BO, and HCC(11)BO were derived to be 4 ± 3%, 40 ± 5%, and 56 ± 15%, respectively; these data are in excellent agreement with the calculated branching ratios using statistical RRKM theory yielding 1%, 38%, and 61%, respectively.

  18. FOUR WAVE MIXING SPECTROSCOPY OF THE NO_3 tilde{B} ^2E' - tilde{X} ^2A_2' transition

    NASA Astrophysics Data System (ADS)

    Fukushima, Masaru; Ishiwata, Takashi

    2014-06-01

    The tilde{B} ^2E' - tilde{X} ^2A_2' electronic transition of NO_3 generated in a supersonic free jet expansion was investigated by four wave mixing ( 4WM ) spectroscopy. The degenerated 4WM and laser induced fluorescence ( LIF ) spectra around the 0_0^0 band region were measured simultaneously. The D4WM spectrum shows broad band features for the 0_0^0 band similar to that of the LIF spectrum. The broad 0_0^0 band does not consist of one sub-band, but of several bands. The intensity distribution of the sub-bands of the D4WM spectrum is similar, but not identical to that of the LIF spectrum.

  19. Integration of multiple data sets for resource evaluation of the Montrose 1/sup 0/ x 2/sup 0/ Quadrangle, Colorado

    SciTech Connect

    Balog, S.H.; Bolivar, S.L.; Weaver, T.A.

    1981-01-01

    At Los Alamos National Laboratory, geoscientists have assembled and integrated 30 geological, geochemical, and geophysical data sets with 4 Landsat bands for the Montrose 1/sup 0/ x 2/sup 0/ quadrangle, Colorado. A graphical presentation, which allows three data sets to be viewed simultaneously, is employed to facilitate the interpretation. Analysis of one of the three-data-set combinations (copper, lead, zinc) defines, spatially and geochemically, all the mining districts in the quadrangle and yields new information relating to base and precious metal mineralization. Analysis of two other three-data-set combinations (dysprosium, hafnium, scandium; and potassium, lithium, titanium) indicates that the granites in the Sawatch Range are of different trace-element composition (and therefore, possibly of different origin) than the granites in the Mosquito Range. This technique permits rapid analysis of tremendous amounts of data and the inference of correlative information that is not inherent in single data sets.

  20. Geology of the Delta, Escalante, Price, Richfield and Salina 1 deg x 2 deg NTMS quadrangles, Utah

    NASA Astrophysics Data System (ADS)

    Thayer, P. A.

    1981-11-01

    The National Uranium Resource Evaluation (NURE) program was established to evaluate domestic uranium resources in the continental United States and to identify areas favorable for uranium exploration. The Grand Junction Office of the Department of Energy is responsible for administering the program. The Savannah River Laboratory (SRL) is responsible for hydrogeochemical and stream-sediment reconnaissance (HSSR) of 3.9 million sq km (1,500,000 mi(2)) in 37 eastern and western states. This document provides geologic and mineral resources reports for the Delta, Escalante, Price, Richfield, and Salina 1 deg x 2 deg National Topographic Map Series quadrangles, Utah. The purpose of these reports is to provide background geologic and mineral resources information to aid in the interpretation of NURE geochemical reconnaissance data. Except for the Escalante Quadrangle, each report is accompanied by a geologic map and a mineral locality map (Plates 1-8, in pocket).

  1. 60-GHz optical/wireless MIMO system integrated with optical subcarrier multiplexing and 2x2 wireless communication.

    PubMed

    Lin, Chi-Hsiang; Lin, Chun-Ting; Huang, Hou-Tzu; Zeng, Wei-Siang; Chiang, Shou-Chih; Chang, Hsi-Yu

    2015-05-04

    This paper proposes a 2x2 MIMO OFDM Radio-over-Fiber scheme based on optical subcarrier multiplexing and 60-GHz MIMO wireless transmission. We also schematically investigated the principle of optical subcarrier multiplexing, which is based on a dual-parallel Mach-Zehnder modulator (DP-MZM). In our simulation result, combining two MIMO OFDM signals to drive DP-MZM gives rise to the PAPR augmentation of less than 0.4 dB, which mitigates nonlinear distortion. Moreover, we applied a Levin-Campello bit-loading algorithm to compensate for the uneven frequency responses in the V-band. The resulting system achieves OFDM signal rates of 61.5-Gbits/s with BER of 10(-3) over 25-km SMF transmission followed by 3-m wireless transmission.

  2. Calculated hydroxyl A2 sigma --> X2 pi (0, 0) band emission rate factors applicable to atmospheric spectroscopy.

    PubMed

    Cageao, R P; Ha, Y L; Jiang, Y; Morgan, M F; Yung, Y L; Sander, S P

    1997-05-01

    A calculation of the A2 sigma --> X2 pi (0, 0) band emission rate factors and line center absorption cross sections of OH applicable to its measurement using solar resonant fluorescence in the terrestrial atmosphere is presented in this paper. The most accurate available line parameters have been used. Special consideration has been given to the solar input flux because of its highly structured Fraunhofer spectrum. The calculation for the OH atmospheric emission rate factor in the solar resonant fluorescent case is described in detail with examples and intermediate results. Results of this calculation of OH emission rate factors for individual rotational lines are on average 30% lower than the values obtained in an earlier work.

  3. 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.

  4. Visible-blind and solar-blind ultraviolet photodiodes based on (InxGa1-x)2O3

    NASA Astrophysics Data System (ADS)

    Zhang, Zhipeng; von Wenckstern, Holger; Lenzner, Jörg; Lorenz, Michael; Grundmann, Marius

    2016-03-01

    UV and deep-UV selective photodiodes from visible-blind to solar-blind were realized based on a Si-doped (InxGa1-x)2O3 thin film with a monotonic lateral variation of 0.0035 < x < 0.83. Such layer was deposited by employing a continuous composition spread approach relying on the ablation of a single segmented target in pulsed-laser deposition. The photo response signal is provided from a metal-semiconductor-metal structure upon backside illumination. The absorption onset was tuned from 4.83 to 3.22 eV for increasing x. Higher responsivities were observed for photodiodes fabricated from indium-rich part of the sample, for which an internal gain mechanism could be identified.

  5. On Integrals Involving Universal Associated Legendre Polynomials and Powers of the Factor (1 - x 2) and Their Byproducts

    NASA Astrophysics Data System (ADS)

    Sun, Dong-Sheng; You, Yuan; Lu, Fa-Lin; Chen, Chang-Yuan; Dong, Shi-Hai

    2016-10-01

    The associated Legendre polynomials play an important role in the central fields, but in the case of the non-central field we have to introduce the universal associated Legendre polynomials Pl' m'(x) when studying the modified Pschl-Teller potential and the single ring-shaped potential. We present the evaluations of the integrals involving the universal associated Legendre polynomials and the factor (1-x2)-p-1 as well as some important byproducts of this integral which are useful in deriving the matrix elements in spin-orbit interaction. The calculations are obtained systematically using some properties of the generalized hypergeometric series. Supported by the National Natural Science Foundation of China under Grant No. 11275165 and Partially by 20160978-SIP-IPN, Mexico

  6. High resolution absorption cross sections for the A2Pi-X2Pi system of ClO

    NASA Technical Reports Server (NTRS)

    Wine, P. H.; Ravishankara, A. R.; Philen, D. L.; Davis, D. D.; Watson, R. T.

    1977-01-01

    High-resolution ultraviolet absorption cross-sections for the ClO molecule are obtained, with the aim of facilitating studies of ozone depletion resulting from the injection of chlorofluorocarbons into the atmosphere. The spectroscopic analysis, which involves a frequency-doubled tunable dye laser with a bandwidth of 0.015 A, is described. Studies of the rotational lines of the ClO A 2Pi 3/2-X2Pi 3/2 9-10 band were conducted. Peak cross-sections for the P and R lines of the 9-0 band are found to be 10.0, 9.6, 8.6, 10.6, 10.3, and 9.2 times ten to the negative seventeenth power cm squared, with estimated accuracy of plus or minus 25%. Problems in distinguishing between Cl-35 and Cl-37 absorption are also considered.

  7. Theoretical study of the AlO blue-green (B2Sigma + - X2Sigma +) band system

    NASA Technical Reports Server (NTRS)

    Partridge, H.; Langhoff, S. R.; Lengsfield, B. H., III; Liu, B.

    1983-01-01

    Two independent, extensive theoretical calculations are reported for the relative band strengths of the AlO (B2Sigma + - X2Sigma +) blue-green system and for the radiative lifetimes of the lowest few vibrational levels of the B2Sigma(+) state. The theoretical lifetimes, which include a small (less than -.5 percent) contribution from bound-bound transitions into the A2Pi state, are in excellent agreement with laser fluorescence studies. The theoretical lifetimes increase monotonically and very slowly with increasing vibrational quantum number. The relative band strengths for the blue-green system derived from the two theoretical calculations are in excellent agreement, but differ systematically from the relative band strengths of Linton and Nicholls (1969). The present results suggest that their self-absorption corrections are not large enough, resulting in relative intensities that are too large, especially for the weak bands with r centroids less than 1.5 A.

  8. Low-temperature transformation and electronic structure of (Ni 1-xCo x) 2MnGa

    NASA Astrophysics Data System (ADS)

    Takeda, Yoichi; Kodera, Kazushi; Yoshimura, Satoru; Asano, Hidefumi; Matsui, Masaaki

    2007-03-01

    Low-temperature structural transformation of (Ni 1-xCo x) 2MnGa was investigated experimentally and theoretically. Magnetization measurement as a function of temperature in the low magnetic field revealed that the transformation temperature T1 disappeared for x⩾0.2. The band calculation predicted that the stabilization of austenite L2 1 phase occurred for x>0.3, which was in rough agreement with the experimental result. Furthermore, the instability of austenite phase was discussed from the viewpoint of Hume-Rothery regime and the prediction was in good agreement with the results. It was concluded that the Galanakis curve was a good prediction for half-metal Heusler alloy and a new Heusler alloy was proposed for 1.0>x⩾0.7.

  9. Quantifying magnetic exchange in doubly-bridged Cu-X(2)-Cu (X = F, Cl, Br) chains enabled by solid state synthesis of CuF(2)(pyrazine).

    PubMed

    Lapidus, Saul H; Manson, Jamie L; Liu, Junjie; Smith, Matthew J; Goddard, Paul; Bendix, Jesper; Topping, Craig V; Singleton, John; Dunmars, Cortney; Mitchell, J F; Schlueter, John A

    2013-05-04

    Solid state techniques involving pressure and temperature have been used to synthesize the fluoride member of the CuX(2)(pyrazine) (X = F, Cl, Br) family of coordination polymers that cannot be crystallized by solution methods. CuF(2)(pyrazine) exhibits unique trans doubly-bridged Cu-F(2)-Cu chains that provide an opportunity to quantify magnetic superexchange in an isostructural Cu-X(2)-Cu series.

  10. Metal-insulator transition in variably doped (Bi(1-x)Sb(x))2Se3 nanosheets.

    PubMed

    Lee, Chee Huei; He, Rui; Wang, ZhenHua; Qiu, Richard L J; Kumar, Ajay; Delaney, Conor; Beck, Ben; Kidd, T E; Chancey, C C; Sankaran, R Mohan; Gao, Xuan P A

    2013-05-21

    Topological insulators are novel quantum materials with metallic surface transport but insulating bulk behavior. Often, topological insulators are dominated by bulk contributions due to defect induced bulk carriers, making it difficult to isolate the more interesting surface transport characteristics. Here, we report the synthesis and characterization of nanosheets of a topological insulator Bi2Se3 with variable Sb-doping levels to control the electron carrier density and surface transport behavior. (Bi(1-x)Sb(x))2Se3 thin films of thickness less than 10 nm are prepared by epitaxial growth on mica substrates in a vapor transport setup. The introduction of Sb in Bi2Se3 effectively suppresses the room temperature electron density from ∼4 × 10(13) cm(-2) in pure Bi2Se3 (x = 0) to ∼2 × 10(12) cm(-2) in (Bi(1-x)Sb(x))2Se3 at x ∼ 0.15, while maintaining the metallic transport behavior. At x ≳ ∼0.20, a metal-insulator transition (MIT) is observed, indicating that the system has transformed into an insulator in which the metallic surface conduction is blocked. In agreement with the observed MIT, Raman spectroscopy reveals the emergence of vibrational modes arising from Sb-Sb and Sb-Se bonds at high Sb concentrations, confirming the appearance of the Sb2Se3 crystal structure in the sample. These results suggest that nanostructured chalcogenide films with controlled doping can be a tunable platform for fundamental studies and electronic applications of topological insulator systems.

  11. Double P2X2/P2X3 Purinergic Receptor Knockout Mice Do Not Taste NaCl or the Artificial Sweetener SC45647

    PubMed Central

    Eddy, Meghan C.; Eschle, Benjamin K.; Barrows, Jennell; Hallock, Robert M.; Finger, Thomas E.

    2009-01-01

    The P2X ionotropic purinergic receptors, P2X2 and P2X3, are essential for transmission of taste information from taste buds to the gustatory nerves. Mice lacking both P2X2 and P2X3 purinergic receptors (P2X2/P2X3Dbl−/−) exhibit no taste-evoked activity in the chorda tympani and glossopharyngeal nerves when stimulated with taste stimuli from any of the 5 classical taste quality groups (salt, sweet, sour, bitter, and umami) nor do the mice show taste preferences for sweet or umami, or avoidance of bitter substances (Finger et al. 2005. ATP signaling is crucial for communication from taste buds to gustatory nerves. Science. 310[5753]:1495–1499). Here, we compare the ability of P2X2/P2X3Dbl−/− mice and P2X2/P2X3Dbl+/+ wild-type (WT) mice to detect NaCl in brief-access tests and conditioned aversion paradigms. Brief-access testing with NaCl revealed that whereas WT mice decrease licking at 300 mM and above, the P2X2/P2X3Dbl−/− mice do not show any change in lick rates. In conditioned aversion tests, P2X2/P2X3Dbl−/− mice did not develop a learned aversion to NaCl or the artificial sweetener SC45647, both of which are easily avoided by conditioned WT mice. The inability of P2X2/P2X3Dbl−/− mice to show avoidance of these taste stimuli was not due to an inability to learn the task because both WT and P2X2/P2X3Dbl−/− mice learned to avoid a combination of SC45647 and amyl acetate (an odor cue). These data suggest that P2X2/P2X3Dbl−/− mice are unable to respond to NaCl or SC45647 as taste stimuli, mirroring the lack of gustatory nerve responses to these substances. PMID:19833661

  12. Residual Chemosensory Capabilities in Double P2X2/P2X3 Purinergic Receptor Null Mice: Intraoral or Postingestive Detection?

    PubMed Central

    Hallock, Robert M.; Tatangelo, Marco; Barrows, Jennell

    2009-01-01

    Mice lacking the purinergic receptors, P2X2 and P2X3 (P2X2/P2X3Dbl−/−), exhibit essentially no tastant-evoked activity in the chorda tympani and glossopharyngeal nerves and substantial loss of tastant-evoked behavior as measured in long-term intake experiments. To assess whether the residual chemically driven behaviors in these P2X2/P2X3Dbl−/− mice were attributable to postingestive detection or oropharyngeal detection of the compounds, we used brief access lickometer tests to assess the behavioral capabilities of the P2X2/P2X3Dbl−/− animals. The P2X2/P2X3Dbl−/− mice showed avoidance to high levels (10 mM quinine and 10–30 mM denatonium benzoate) of classical “bitter”-tasting stimuli in 24-h, 2-bottle preference tests but minimal avoidance of these substances in the lickometer tests, suggesting that the strong avoidance in the intake tests was largely mediated by post-oral chemosensors. Similarly, increases in consumption of 1 M sucrose by P2X2/P2X3Dbl−/− mice in long-term intake tests were not mirrored by increases in consumption of sucrose in lickometer tests, suggesting that sucrose detection in these mice is mediated by postingestive consequences. In contrast, in brief access tests, P2X2/P2X3Dbl−/− mice avoided citric acid and hydrochloric acid at the same concentrations as their wild-type counterparts, indicating that these weak acids activate oropharyngeal chemoreceptors. PMID:19833662

  13. Anisotropic thermoelectric properties of layered compounds in SnX2 (X = S, Se): a promising thermoelectric material.

    PubMed

    Sun, Bao-Zhen; Ma, Zuju; He, Chao; Wu, Kechen

    2015-11-28

    Thermoelectrics interconvert heat to electricity and are of great interest in waste heat recovery, solid-state cooling and so on. Here we assessed the potential of SnS2 and SnSe2 as thermoelectric materials at the temperature gradient from 300 to 800 K. Reflecting the crystal structure, the transport coefficients are highly anisotropic between a and c directions, in particular for the electrical conductivity. The preferred direction for both materials is the a direction in TE application. Most strikingly, when 800 K is reached, SnS2 can show a peak power factor (PF) of 15.50 μW cm(-1) K(-2) along the a direction, while a relatively low value (11.72 μW cm(-1) K(-2)) is obtained in the same direction of SnSe2. These values are comparable to those observed in thermoelectrics such as SnSe and SnS. At 300 K, the minimum lattice thermal conductivity (κmin) along the a direction is estimated to be about 0.67 and 0.55 W m(-1) K(-1) for SnS2 and SnSe2, respectively, even lower than the measured lattice thermal conductivity of Bi2Te3 (1.28 W m(-1) K(-1) at 300 K). The reasonable PF and κmin suggest that both SnS2 and SnSe2 are potential thermoelectric materials. Indeed, the estimated peak ZT can approach 0.88 for SnSe2 and a higher value of 0.96 for SnS2 along the a direction at a carrier concentration of 1.94 × 10(19) (SnSe2) vs. 2.87 × 10(19) cm(-3) (SnS2). The best ZT values in SnX2 (X = S, Se) are comparable to that in Bi2Te3 (0.8), a typical thermoelectric material. We hope that this theoretical investigation will provide useful information for further experimental and theoretical studies on optimizing the thermoelectric properties of SnX2 materials.

  14. Tri-icosahedral Gold Nanocluster [Au37(PPh3)10(SC2H4Ph)10X2](+): Linear Assembly of Icosahedral Building Blocks.

    PubMed

    Jin, Renxi; Liu, Chong; Zhao, Shuo; Das, Anindita; Xing, Hongzhu; Gayathri, Chakicherla; Xing, Yan; Rosi, Nathaniel L; Gil, Roberto R; Jin, Rongchao

    2015-08-25

    The [Au37(PPh3)10(SR)10X2](+) nanocluster (where SR = thiolate and X = Cl/Br) was theoretically predicted in 2007, but since then, there has been no experimental success in the synthesis and structure determination. Herein, we report a kinetically controlled, selective synthesis of [Au37(PPh3)10(SC2H4Ph)10X2](+) (counterion: Cl(-) or Br(-)) with its crystal structure characterized by X-ray crystallography. This nanocluster shows a rod-like structure assembled from three icosahedral Au13 units in a linear fashion, consistent with the earlier prediction. The optical absorption and the electrochemical and catalytic properties are investigated. The successful synthesis of this new nanocluster allows us to gain insight into the size, structure, and property evolution of gold nanoclusters that are based upon the assembly of icosahedral units (i.e., cluster of clusters). Some interesting trends are identified in the evolution from the monoicosahedral [Au13(PPh3)10X2](3+) to the bi-icosahedral [Au25(PPh3)10(SC2H4Ph)5X2](2+) and to the tri-icosahedral [Au37(PPh3)10(SC2H4Ph)10X2](+) nanocluster, which also points to the possibility of achieving even longer rod nanoclusters based upon assembly of icosahedral building blocks.

  15. Topological phase transitions of (BixSb1-x)2Se3 alloys by density functional theory

    NASA Astrophysics Data System (ADS)

    Abdalla, L. B.; Padilha José, E.; Schmidt, T. M.; Miwa, R. H.; Fazzio, A.

    2015-06-01

    We have performed an ab initio total energy investigation of the topological phase transition, and the electronic properties of topologically protected surface states of (BixSb1-x)2Se3 alloys. In order to provide an accurate alloy concentration for the phase transition, we have considered the special quasirandom structures to describe the alloy system. The trivial → topological transition concentration was obtained by (i) the calculation of the band gap closing as a function of Bi concentration (x), and (ii) the calculation of the Z2 topological invariant number. We show that there is a topological phase transition, for x around 0.4, verified for both procedures (i) and (ii). We also show that in the concentration range 0.4 < x < 0.7, the alloy does not present any other band at the Fermi level besides the Dirac cone, where the Dirac point is far from the bulk states. This indicates that a possible suppression of the scattering process due to bulk states will occur.

  16. Specific heat, resistivity, and AC susceptibility of the cubic PrX 2 compounds (X = Pt, Ru, Ir, Rh)

    NASA Astrophysics Data System (ADS)

    Greidanus, F. J. A. M.; Nieuwenhuys, G. J.; de Jongh, L. J.; Huiskamp, W. J.; Capel, H. W.; Buschow, K. H. J.

    1983-04-01

    Specific-heat, differential-susceptibility and electrical-resistivity measurements on PrX 2 (X = Ir, Pt, Rh, Ru) compounds reveal phase transitions at Tc = 11.2±0.5 K, 7.7±0.5 K, 7.9±0.5 Kand 33.9±0.5 K for X = Ir, Pt, Rh, and Ru, respective ly. From earlier neutron inelastic scattering experiments, the crystalline electric field levels of these compounds have been determined. The specific-heat results are compared with the results of a mean-field calculation, assuming bilinear exchange interactions. The presence of broad secondary maxima in the temperature dependence of the specific heat of PrRh 2, PrRu 2 and especially PrIr 2 can qualitatively be explained by the presence of biquadratic (quadrupolar) interactions. The behaviour of the susceptibility is in agreement with ferromagnetic ordering. The electrical resistivity drops markedly below Tc, and the dϱ/d T versus T curve is similar to that of the specific heat.

  17. The interaction of NO(X2Π ) with H2: Ab initio potential energy surfaces and bound states

    NASA Astrophysics Data System (ADS)

    Kłos, Jacek; Ma, Qianli; Alexander, Millard H.; Dagdigian, Paul J.

    2017-03-01

    We determine from first principles two sets of four-dimensional diabatic potential energy surfaces (PES's) for the interaction of NO(X2Π ) with H2, under the assumption of fixed NO and H2 bond distances. The first set of PES's was computed with the explicitly correlated multi-reference configuration interaction method [MRCISD-F12 + Q(Davidson)], and the second set with an explicitly correlated, coupled-cluster method [RCCSD(T)-F12a] with the geometry scan limited to geometries possessing a plane of symmetry. The calculated PES's are then fit to an analytical form suitable for bound state and scattering calculations. The RCCSD(T)-F12a dissociation energies (D0) of the NO-para-H2(ortho-D2) and the NO-ortho-H2(para-D2) complexes are computed to be 22.7 (31.7) and 23.9 (29.2) cm-1, respectively. The values calculated with the MRCISD-F12 + Q PES's are 21.6 (31.1) and 23.3 (28.4) cm-1, respectively.

  18. OBSERVATION OF THE 2011-02-15 X2.2 FLARE IN THE HARD X-RAY AND MICROWAVE

    SciTech Connect

    Kuroda, Natsuha; Wang, Haimin; Gary, Dale E.

    2015-07-10

    Previous studies have shown that the energy release mechanism of some solar flares follow the Standard magnetic-reconnection model, but the detailed properties of high-energy electrons produced in the flare are still not well understood. We conducted a unique, multi-wavelength study that discloses the spatial, temporal and energy distributions of the accelerated electrons in the X2.2 solar flare on 2011 February 15. We studied the source locations of seven distinct temporal peaks observed in hard X-ray (HXR) and microwave (MW) light curves using the RHESSI in 50–75 keV channels and Nobeyama Radioheliograph in 34 GHz, respectively. We found that the seven emission peaks did not come from seven spatially distinct sites in HXR and MW, but rather in HXR we observed a sudden change in location only between the second and the third peak, with the same pattern occurring, but evolving more slowly in MW. Comparison between the HXR light curve and the temporal variations in intensity in the two MW source kernels also confirmed that the seven peaks came predominantly from two sources, each with multiple temporal peaks. In addition, we studied the polarization properties of MW sources, and time delay between HXR and MW. We discuss our results in the context of the tether-cutting model.

  19. Detection of cyclotron resonance scattering feature in high-mass X-ray binary pulsar SMC X-2

    NASA Astrophysics Data System (ADS)

    Jaisawal, Gaurava K.; Naik, Sachindra

    2016-09-01

    We report broad-band spectral properties of the high-mass X-ray binary pulsar SMC X-2 by using three simultaneous Nuclear Spectroscopy Telescope Array and Swift/XRT observations during its 2015 outburst. The pulsar was significantly bright, reaching a luminosity up to as high as ˜5.5 × 1038 erg s-1 in 1-70 keV range. Spin period of the pulsar was estimated to be 2.37 s. Pulse profiles were found to be strongly luminosity dependent. The 1-70 keV energy spectrum of the pulsar was well described with three different continuum models such as (i) negative and positive power law with exponential cutoff, (ii) Fermi-Dirac cutoff power law and (iii) cutoff power-law models. Apart from the presence of an iron line at ˜6.4 keV, a model independent absorption like feature at ˜27 keV was detected in the pulsar spectrum. This feature was identified as a cyclotron absorption line and detected for the first time in this pulsar. Corresponding magnetic field of the neutron star was estimated to be ˜2.3 × 1012 G. The cyclotron line energy showed a marginal negative dependence on the luminosity. The cyclotron line parameters were found to be variable with pulse phase and interpreted as due to the effect of emission geometry or complicated structure of the pulsar magnetic field.

  20. SUDDEN PHOTOSPHERIC MOTION AND SUNSPOT ROTATION ASSOCIATED WITH THE X2.2 FLARE ON 2011 FEBRUARY 15

    SciTech Connect

    Wang, Shuo; Liu, Chang; Deng, Na; Wang, Haimin

    2014-02-20

    The Helioseismic and Magnetic Imager provides 45 s cadence intensity images and 720 s cadence vector magnetograms. These unprecedented high-cadence and high-resolution data give us a unique opportunity to study the change of photospheric flows and sunspot rotations associated with flares. By using the differential affine velocity estimator method and the Fourier local correlation tracking method separately, we calculate velocity and vorticity of photospheric flows in the flaring NOAA AR 11158, and investigate their temporal evolution around the X2.2 flare on 2011 February 15. It is found that the shear flow around the flaring magnetic polarity inversion line exhibits a sudden decrease, and both of the two main sunspots undergo a sudden change in rotational motion during the impulsive phase of the flare. These results are discussed in the context of the Lorentz-force change that was proposed by Hudson et al. and Fisher et al. This mechanism can explain the connections between the rapid and irreversible photospheric vector magnetic field change and the observed short-term motions associated with the flare. In particular, the torque provided by the horizontal Lorentz force change agrees with what is required for the measured angular acceleration.

  1. The interaction of NO(X(2)Π) with H2: Ab initio potential energy surfaces and bound states.

    PubMed

    Kłos, Jacek; Ma, Qianli; Alexander, Millard H; Dagdigian, Paul J

    2017-03-21

    We determine from first principles two sets of four-dimensional diabatic potential energy surfaces (PES's) for the interaction of NO(X(2)Π) with H2, under the assumption of fixed NO and H2 bond distances. The first set of PES's was computed with the explicitly correlated multi-reference configuration interaction method [MRCISD-F12 + Q(Davidson)], and the second set with an explicitly correlated, coupled-cluster method [RCCSD(T)-F12a] with the geometry scan limited to geometries possessing a plane of symmetry. The calculated PES's are then fit to an analytical form suitable for bound state and scattering calculations. The RCCSD(T)-F12a dissociation energies (D0) of the NO-para-H2(ortho-D2) and the NO-ortho-H2(para-D2) complexes are computed to be 22.7 (31.7) and 23.9 (29.2) cm(-1), respectively. The values calculated with the MRCISD-F12 + Q PES's are 21.6 (31.1) and 23.3 (28.4) cm(-1), respectively.

  2. Low-temperature properties of Ce(Ru 1- xM x) 2Ge 2, M  Fe, Au

    NASA Astrophysics Data System (ADS)

    Fontes, M. B.; Elmassalami, M.; Aliaga-Guerra, D.; Giordanengo, B.; Bud'ko, S. L.; Guimaraes, A. P.; Gavilano, J. L.; Baggio-Saitovitch, E. M.

    1995-02-01

    We have performed measurements of electrical resistivity, AC susceptibility, magnetization, Mössbauer effect and NMR on the series of intermetallic compounds Ce(Ru 1- xM x) 2Ge 2, M  Fe, Au for 0 ⩽ x ⩽ 0.1. The parent compound CeRu 2Ge 2 orders ferromagnetically below 7.5 K, with f-electrons showing only a small mass-enhancement at low temperatures. However, its crystal structure and Fermi surface are closely related to the heavy-electron superconductor CeRu 2Si 2. Analysis of X-ray diffraction patterns confirmed the structure to be of thCr 2Si 2-type, with no foreign phases detected. The results of our Mössbauer studies indicate that Fe goes into the Ru sites with no magnetic moment. NMR signals were observed in the Fe-doped samples with quadrupolar interaction that can be related to 73Ge nucleus ( I = 9/2).

  3. Kinetics of thermal reaction HOCl ⇄ H(2 S) + OCl( X 2Π i ) in gas phase

    NASA Astrophysics Data System (ADS)

    Begović, N.; Marković, Z.; Anić, S.

    2011-12-01

    The kinetics of gas reaction HOCl\\underset{{k_r }}{overset{{k_f }}{longleftrightarrow}}H(^2 S) + OCl(X^2 Pi _i ) was analyzed by the MP4 method. In the temperature range of 100-373 K the rate constants k f and k r and equilibrium constant K were changed from 1.10 × 10-220 to 1.17 × 10-52 s-1, from 2.89 × 10-16 to 1.68 × 10-5s-1 and from 3.80 × 10-205 to 6.96 × 10-48 respectively. In the above temperature range, the activation energy of the forward reaction ( E f) is 105.05 kcal/mol. In the same temperature interval there are two kinetic domains for the reverse reaction with activation energies ( E r1 = 5.53 kcal/mol when T is 100-273 K and E r2 = 14.50 kcal/mol when T is 273-373 K, respectively.

  4. Vibrationally specific photoionization cross sections of acrolein leading to the tilde{X} {}^2 A^' } ionic state

    NASA Astrophysics Data System (ADS)

    López-Domínguez, Jesús A.; Lucchese, Robert R.; Fulfer, K. D.; Hardy, David; Poliakoff, E. D.; Aguilar, A. A.

    2014-09-01

    The vibrational branching ratios in the photoionization of acrolein for ionization leading to the tilde{X} {}^2 A^' } ion state were studied. Computed logarithmic derivatives of the cross section and the corresponding experimental data derived from measured vibrational branching ratios for several normal modes (ν9, ν10, ν11, and ν12) were found to be in relatively good agreement, particularly for the lower half of the 11-100 eV photon energy range considered. Two shape resonances have been found near photon energies of 15.5 and 23 eV in the photoionization cross section and have been demonstrated to originate from the partial cross section of the A' scattering symmetry. The wave functions computed at the resonance complex energies are delocalized over the whole molecule. By looking at the dependence of the cross section on the different normal mode displacements together with the wave function at the resonant energy, a qualitative explanation is given for the change of the cross sections with respect to changing geometry.

  5. Digital Geologic Map of the Redding 1° x 2° Quadrangle, Shasta, Tehama, Humboldt, and Trinity Counties, California

    USGS Publications Warehouse

    Fraticelli, Luis A.; Albers, John P.; Irwin, William P.; Blake, Milton C.; Wentworth, Carl M.

    2012-01-01

    The Redding 1° x 2 quadrangle in northwestern California transects the Franciscan Complex and southern Klamath Mountains province as well as parts of the Great Valley Complex, northern Great Valley, and southernmost Cascades volcanic province. The tectonostratigraphic terranes of the Klamath province represent slices of oceanic crust, island arcs, and overlying sediment that range largely from Paleozoic to Jurassic in age. The Eastern Klamath terrane forms the nucleus to which the other terranes were added westward, primarily during Jurassic time, and that package was probably accreted to North America during earliest Cretaceous time. The younger Franciscan Complex consists of a sequence of westward younging tectonostratigraphic terranes of late Jurassic to Miocene age that were accreted to North America from mid-Cretaceous through Miocene time, with the easternmost being the most strongly metamorphosed. The marine Great Valley sequence, of late Jurassic and Cretaceous age, was deposited unconformably across the southernmost Klamath rocks, but in turn was underthrust at its western margin by Eastern belt Franciscan rocks. Pliocene and Quaternary volcanic rocks and sediment of the Cascades province extend into the southeastern part of the quadrangle, abutting the northernmost part of the great central valley of California. This map and database represent a digital rendition of Open-File Report 87-257, 1987, by L.A. Fraticelli, J.P. Albers, W.P. Irwin, and M.C. Blake, Jr., with various improvements and additions.

  6. On the Detectability of the X 2A" HSS, HSO, and HOS Radicals in the Interstellar Medium

    NASA Astrophysics Data System (ADS)

    Fortenberry, Ryan C.; Francisco, Joseph S.

    2017-02-01

    {\\tilde{X}}2A\\prime\\prime HSS has yet to be observed in the gas phase in the interstellar medium (ISM). HSS has been observed in cometary material and in high abundance. However, its agglomeration to such bodies or dispersal from them has not been observed. Similarly, HSO and HOS have not been observed in the ISM, either, even though models support their formation from reactions of known sulfur monoxide and hydrogen molecules, among other pathways. Consequently, this work provides high-level, quantum chemical rovibrational spectroscopic constants and vibrational frequencies in order to assist in interstellar searches for these radical molecules. Furthermore, the HSO‑HOS isomerization energy is determined to be 3.63 kcal mol‑1, in line with previous work, and the dipole moment of HOS is 36% larger at 3.87 D than HSO, making the less stable isomer more rotationally intense. Finally, the S‑S bond strength in HSS is shown to be relatively weak at 30% of the typical disulfide bond energy. Consequently, HSS may degrade into SH and sulfur atoms, making any ISM abundance of HSS likely fairly low, as recent interstellar surveys have observed.

  7. On stability, chirality measures, and theoretical VCD spectra of the chiral C58X2 fullerenes (X = N, B).

    PubMed

    Ostrowski, Sławomir; Jamróz, Michał H; Rode, Joanna E; Dobrowolski, Jan Cz

    2012-01-12

    The stability of all 23 C(58)N(2) and C(58)B(2) heterofullerenes in the singlet and triplet states was determined at the B3LYP/6-31G** level. In equilibrium mixture the achiral (1,4) C(58)N(2) isomer would be populated in ca. 95.8%, the chiral (1,16) one in ca. 3.3%, and the achiral (1,4) C(58)B(2) in 100%, whereas all triplet state isomers are less stable. Fourteen out of 23 C(58)X(2) are chiral. Four different chirality measures were calculated by our own CHIMEA program: pure geometrical, labeled, mass, and charge. Intercorrelations between the measures for all chiral compounds indicate that the pure geometrical chirality measure is unstable and should not be used in QSAR predictions of the other molecular properties, while the labeled and mass-weighted ones are promising QSAR descriptors. For each chiral C(58)N(2) molecule, some very strong VCD bands, of intensity comparable with that in the IR spectra, can serve in identification and characterization of the isomers.

  8. Harmonic and anharmonic features of IR and NIR absorption and VCD spectra of chiral 4-X-[2.2]paracyclophanes.

    PubMed

    Abbate, Sergio; Castiglioni, Ettore; Gangemi, Fabrizio; Gangemi, Roberto; Longhi, Giovanna; Ruzziconi, Renzo; Spizzichino, Sara

    2007-08-02

    The vibrational absorption spectra and vibrational circular dichroism (VCD) spectra of both enantiomers of 4-X-[2.2]paracyclophanes (X = COOCD3, Cl, I) have been recorded for a few regions in the range of 900-12000 cm(-1). The analysis of the VCD spectra for the two IR regions, 900-1600 cm(-1) and 2800-3200 cm(-1), is conducted by comparing with DFT calculations of the corresponding spectra; the latter region reveals common motifs of vibrational modes for the three molecules for aliphatic CH stretching fundamentals, whereas in the mid-IR region, one is able to identify specific signatures arising from the substituent groups X. In the CH stretching region between 2900 and 2800 cm(-1), we identify and interpret a group of three IR VCD bands due to HCH bending overtone transitions in Fermi resonance with CH stretching fundamental transitions. The analysis of the NIR region between approximately 8000 and approximately 9000 cm(-1) for X = COOCD3 reveals important features of the aromatic CH stretching overtones that are of value since the aromatic CH stretching fundamentals are almost silent. The intensifying of such overtones is attributed to electrical anharmonicity terms, which are evaluated here by ab initio methods and compared with literature data.

  9. Photoelectron diffraction k-space volumes of the c(2x2) Mn/Ni(100) structure

    SciTech Connect

    Banerjee, S.; Denlinger, J.; Chen, X.

    1997-04-01

    Traditionally, x-ray photoelectron diffraction (XPD) studies have either been done by scanning the diffraction angle for fixed kinetic energy (ADPD), or scanning the kinetic energy at fixed exit angle (EDPD). Both of these methods collect subsets of the full diffraction pattern, or volume, which is the intensity of photoemission as a function of momentum direction and magnitude. With the high density available at the Spectromicroscopy Facility (BL 7.0) {open_quotes}ultraESCA{close_quotes} station, the authors are able to completely characterize the photoelectron diffraction patterns of surface structures, up to several hundred electron volts kinetic energy. This large diffraction `volume` can then be analyzed in many ways. The k-space volume contains as a subset the energy dependent photoelectron diffraction spectra along all emission angles. It also contains individual, hemispherical, diffraction patterns at specific kinetic energies. Other `cuts` through the data set are also possible, revealing new ways of viewing photoelectron diffraction data, and potentially new information about the surface structure being studied. In this article the authors report a brief summary of a structural study being done on the c(2x2) Mn/Ni(100) surface alloy. This system is interesting for both structural and magnetic reasons. Magnetically, the Mn/Ni(100) surface alloy exhibits parallel coupling of the Mn and Ni moments, which is opposite to the reported coupling for the bulk, disordered, alloy. Structurally, the Mn atoms are believed to lie well above the surface plane.

  10. Chemical abundances of the secondary star in the neutron star X-ray binary Cygnus X-2

    NASA Astrophysics Data System (ADS)

    Suárez-Andrés, L.; González Hernández, J. I.; Israelian, G.; Casares, J.; Rebolo, R.

    2015-03-01

    We present Utrecht Echelle Spectrograph@William Herschel Telescope high-resolution spectra of the low-mass X-ray binary (LMXB) Cygnus X-2. We have derived the stellar parameters of the secondary star using χ2 minimization procedure, and taking into account any possible veiling from the accretion disc. We determine a metallicity higher than solar ([Fe/H] = 0.27 ± 0.19), as seen also in the neutron star X-ray binary Centaurus X-4. The high quality of the secondary's spectrum allow us to determine the chemical abundances of O, Mg, Si, Ca, S, Ti, Fe, and Ni. We found that some α-elements (Mg, Si, S, Ti) are enhanced, consistent with a scenario of contamination of the secondary star during the supernova event. Surprisingly oxygen appears to be underabundant, whereas enhanced abundances of Fe and Ni are measured. Assuming that these abundances come from matter that has been processed in the SN and then captured by the secondary star, we explore different SN explosion scenarios with diverse geometries. A non-spherically symmetric SN explosion, with a low mass cut, seems to reproduce better the observed abundance pattern of the secondary star compared to the spherical case.

  11. Maltodextrin and fat preference deficits in "taste-blind" P2X2/P2X3 knockout mice.

    PubMed

    Sclafani, Anthony; Ackroff, Karen

    2014-07-01

    Adenosine triphosphate is a critical neurotransmitter in the gustatory response to the 5 primary tastes in mice. Genetic deletion of the purinergic P2X2/P2X3 receptor greatly reduces the neural and behavioral response to prototypical primary taste stimuli. In this study, we examined the behavioral response of P2X double knockout mice to maltodextrin and fat stimuli, which appear to activate additional taste channels. P2X double knockout and wild-type mice were given 24-h choice tests (vs. water) with ascending concentrations of Polycose and Intralipid. In Experiment 1, naive double knockout mice, unlike wild-type mice, were indifferent to dilute (0.5-4%) Polycose solutions but preferred concentrated (8-32%) Polycose to water. In a retest, the Polycose-experienced double knockout mice, like wild-type mice, preferred all Polycose concentrations. In Experiment 2, naive double knockout mice, unlike wild-type mice, were indifferent to dilute (0.313-2.5%) Intralipid emulsions but preferred concentrated (5-20%) Intralipid to water. In a retest, the fat-experienced double knockout mice, like wild-type mice, strongly preferred 0.313-5% Intralipid to water. These results indicate that the inherent preferences of mice for maltodextrin and fat are dependent upon adenosine triphosphate taste cell signaling. With experience, however, P2X double knockout mice develop strong preferences for the nontaste flavor qualities of maltodextrin and fat conditioned by the postoral actions of these nutrients.

  12. Study of the X~2Π state of the SiCN/SiNC Renner-Teller system

    NASA Astrophysics Data System (ADS)

    Brites, Vincent; Mitrushchenkov, Alexander O.; Léonard, Céline

    2013-03-01

    The potential energy surfaces of both components of the tildeX^2Π electronic ground state of the double Renner-Teller SiCN/SiNC system are calculated using explicitly correlated coupled cluster approach. The SiNC minimum is found to lie at 628 cm-1 above the SiCN one. The isomerization transition state is found at 7583 cm-1 on the 2A' surface and at 7936 cm-1 on the 2A″ surface. The cyclic local minimum on surface 2A' is also reproduced by our potential energy surface and is located at 3901 cm-1. The calculated potentials are used to simulate rovibrational spectroscopy employing the recently developed EVEREST variational code. It is shown that Renner-Teller interaction (ɛ = 0.3043 for SiCN and ɛ = 0.3874 for SiNC) and spin-orbit coupling are both very important for a correct description of the spectroscopy of this system. Comparison with available experimental measurement is reported.

  13. Resource characterization for uranium mineralization in the Montrose 1/sup 0/ x 2/sup 0/ quadrangle, Colorado

    SciTech Connect

    Bolivar, S.L.; Balog, S.H.; Weaver, T.A.

    1981-01-01

    A data-classification scheme was developed to detect potential uranium mineralization in the Montrose 1/sup 0/ x 2/sup 0/ quadrangle, Colorado. The methodology developed is a rapid and efficient method of resource evaluation on a reconnaissance scale. The necessary techniques were developed and refined to digitize, integrate, and register various large geological, geochemical, and geophysical data sets for the Montrose quadrangle, Colorado, using a grid resolution of 1 km. All data sets for the Montrose quadrangle were registered to the Universal Transverse Mercator projection. The data sets include hydrogeochemical and stream sediment analyses for 23 elements, uranium-to-thorium ratios, airborne geophysical survey data, the locations of 90 uranium occurrences, and a geologic map (scale 1:250 000). Geochemical samples were collected from 3965 locations in the 19 200 km/sup 2/ quadrangle; aerial data were collected on flight lines flown with 3 to 5 km spacings. These data sets were smoothed by universal kriging and interpolated to a 179 x 119 rectangular grid (each grid block is 1 km/sup 2/). A mylar transparency of the geologic map was prepared and digitized. All possible combinations of three, for all data sets, were examined for general geologic correlations by utilizing a color microfilm output. Subsets of data were further examined for selected test areas. A classification scheme for uranium mineralization, based on selected test areas in the Cochetopa uranium district, is presented. Areas favorable for uranium mineralization, based on this scheme, were identified and are discussed.

  14. Unraveling the formation of HCPH(X2A') molecules in extraterrestrial environments: crossed molecular beam study of the reaction of carbon atoms, C(3Pj), with phosphine, PH3(X1A1).

    PubMed

    Guo, Y; Gu, X; Zhang, F; Sun, B J; Tsai, M F; Chang, A H H; Kaiser, R I

    2007-05-03

    The reaction between ground state carbon atoms, C(3P(j)), and phosphine, PH3(X(1)A1), was investigated at two collision energies of 21.1 and 42.5 kJ mol(-1) using the crossed molecular beam technique. The chemical dynamics extracted from the time-of-flight spectra and laboratory angular distributions combined with ab initio calculations propose that the reaction proceeds on the triplet surface via an addition of atomic carbon to the phosphorus atom. This leads to a triplet CPH3 complex. A successive hydrogen shift forms an HCPH2 intermediate. The latter was found to decompose through atomic hydrogen emission leading to the cis/trans-HCPH(X(2)A') reaction products. The identification of cis/trans-HCPH(X(2)A') molecules under single collision conditions presents a potential pathway to form the very first carbon-phosphorus bond in extraterrestrial environments like molecular clouds and circumstellar envelopes, and even in the postplume chemistry of the collision of comet Shoemaker-Levy 9 with Jupiter.

  15. Graphene-like Dirac states and quantum spin Hall insulators in square-octagonal M X2 (M =Mo , W; X =S , Se, Te) isomers

    NASA Astrophysics Data System (ADS)

    Sun, Yan; Felser, Claudia; Yan, Binghai

    2015-10-01

    We studied the square-octagonal lattice of the transition metal dichalcogenide M X2 (with M =Mo , W; X =S , Se, and Te), as an isomer of the normal hexagonal compound of M X2 . By band-structure calculations, we observe the graphene-like Dirac band structure in a rectangular lattice of M X2 with nonsymmorphic space group symmetry. Two bands with van Hove singularity points cross each at the Fermi energy, leading to two Dirac cones that locate at opposite momenta. Spin-orbit coupling can open a gap at these Dirac points, inside which gapless topological edge states exists as the quantum spin Hall (QSH) effect, the 2D topological insulator.

  16. Globally accurate potential energy surface for the ground-state HCS(X2A′) and its use in reaction dynamics

    PubMed Central

    Song, Yu-Zhi; Zhang, Lu-Lu; Gao, Shou-Bao; Meng, Qing-Tian

    2016-01-01

    A globally accurate many-body expansion potential energy surface is reported for HCS(X2A′) by fitting a wealth of accurate ab initio energies calculated at the multireference configuration interaction level using aug-cc-pVQZ and aug-cc-pV5Z basis sets via extrapolation to the complete basis set limit. The topographical features of the present potential energy surface are examined in detail and is in good agreement with the raw ab initio results, as well as other theoretical results available in literatures. By utilizing the potential energy surface of HCS(X2A′), the dynamic studies of the C(3P) + SH(X2Π) → H(2S) + CS(X1∑+) reaction has been carried out using quasi-classical trajectory method. PMID:27898106

  17. Influence of anionic vacancies on the conductivity of La9.33Si6-xAlxO26-x/2 oxide conductors with an oxyapatite structure

    NASA Astrophysics Data System (ADS)

    Inoubli, A.; Kahlaoui, M.; Sobrados, I.; Chefi, S.; Madani, A.; Sanz, J.; Ben Haj Amara, A.

    2014-12-01

    Al-doped oxyapatite-type lanthanum silicates La9.33Si6-xAlxO26-x/2x/2 (x = 0, 0.4, 0.8 and 1) powders have been prepared by the solid state reaction at high temperature in order to determine the influence of anionic vacancies on the electrical properties of the material. The crystal structure and properties of La9.33Si6-xAlxO26-x/2x/2 powders have been studied by X-ray diffraction (XRD) patterns, magic-angle spinning nuclear magnetic resonance (MAS-NMR) technique and complex impedance analysis. All the compounds of La9.33Si6-xAlxO26-x/2x/2 oxyapatites doped with Al3+ consist of a hexagonal structure with a P63/m space group. Lanthanum silicates doped with trivalent Al3+ have a higher conductivity than those without trivalent Al3+ at the Si4+ site. The extra oxygen O(4) atoms in site 2a (0, 0, 0.25) occupy channels running through the structure that are responsible for the high oxygen ion conduction. However, Al substitution seems to produce oxygen vacancies and create another pathway for oxide ions. The expansion of the channels (La(1)-O(4) distance) leads to an increase in the conductivity. For the best sample (x = 1), the conductivity observed was 5 × 10-3 S cm-1 at 750 °C.

  18. Ferromagnetic contact between Ni and MoX2 (X  =  S, Se, or Te) with Fermi-level pinning

    NASA Astrophysics Data System (ADS)

    Min, Kyung-Ah; Cha, Janghwan; Cho, Kyeongjae; Hong, Suklyun

    2017-06-01

    Recently, two-dimensional (2D) layered materials have drawn much attention due to their unique atomic and electronic properties. Among 2D layered materials, transition metal dichalcogenides (TMDs) display metallic or semiconducting properties depending on the structural phase. In particular, MoS2, which is one such TMD, has the most stable structure in the trigonal prismatic phase with a sizable band gap of about 1.8 eV. To utilize this semiconducting property and take advantage of the nature of metal–MoS2 contacts, many efforts have been made to employ MoS2 in electronic devices such as field-effect transistors. Despite various studies of metal–MoS2 contacts, however, understanding of the contact behavior between ferromagnetic metals and MoS2 is insufficient. Additionally, we need to understand the contact nature between metals and various TMDs for various applications. Here, we report on ferromagnetic contacts between Ni(1 1 1) and MoX2 (X  =  S, Se, or Te) with first-principles calculations. In particular, we study the different electronic and spin properties at Ni–MoX2 interfaces, depending on the type of chalcogen atoms. Our calculations show that the Fermi level is not simply aligned by the work function difference between Ni(1 1 1) and MoX2, representing the Fermi-level pinning occurring at metal–semiconductor interfaces, and that Schottky barrier types are varied depending on MoX2. Interestingly, spin splitting occurs at the conduction band offset or valence band offset, depending on the X type in the MoX2, and a spin magnetic moment is induced on MoX2 by Ni(1 1 1) due to the ferromagnetic nature of Ni.

  19. Preparation of poly(acrylic)/SiO2/EuL3 x 2H2O, hybrid thin films from monodispersed colloidal silica.

    PubMed

    Chien, Wen-Chen; Yu, Yang-Yen; Chen, Shih-Yu; Yang, Chang-Chung

    2010-08-01

    In this study, poly(acrylic)/SiO2/EuL3 x 2H2O hybrid thin films were prepared from various acrylic monomers (MMA and EDMA/TMPTA), lanthanide metal complexes (EuL3 x 2H2O, L = pyridine carboxylic acid), and monodispersed colloidal silica with a coupling agent, 3-(trimethoxysilyl)propyl methacrylate (MSMA). It is a combination of the sol-gel reaction, thermal polymerization, and spin coating. The silica content in the hybrid thin films is fixed at 20 wt%, and the EuL3 x 2H2O content is varied from 0.01 g to 0.07 g. FTIR and EA analysis confirms the chemical structure of the prepared EuL3 x 2H2O and poly(acrylic)/SiO2/EuL3 x 2H2O hybrid thin films. UV-Vis spectra and n&k analysis shows that the hybrid thin film has good transparency in visible light. The refractive index of hybrid thin films can be effectively controlled through the EuL3 x 2H2O content. The PL spectra shows that the strongest emission peak occurs at 615 nm and the emission intensity increases to the peak maximum at an EuL3 x 2H2O content of 0.05 g. Both TGA and PL analysis show that the prepared hybrid thin films from the crosslinked acrylic polymer moiety have much better film uniformity, thermal stability, and fluorescence properties. The TEM diagram shows that the MSMA/SiO2/EuL3 x 2H2O particles with a size 15-20 nm are well dispersed in the reaction solution. The SEM diagram shows that the particle distribution in the prepared hybrid thin films is uniform and no phase separation is observed. Finally, AFM analysis indicates that the prepared hybrid thin films have an excellent surface planarity.

  20. A scaled quantum mechanical force field for the sulfuryl halides. I. The symmetric halides SO2X2 (X=F, Cl, Br).

    PubMed

    Fernández, L E; Verón, M G; Varetti, E L

    2004-01-01

    Force fields and vibrational wavenumbers were calculated for the molecules SO2X2 (X=F, Cl, Br) using DFT techniques. The previously available experimental data and assignments for SO2F2 and SO2Cl2 were compared with the theoretical results and revised, and new low temperature infrared and Raman data were obtained for SO2Cl2. These data were subsequently used in the definition of scaled quantum mechanics force fields for such molecules. Adjusted wavenumbers were also predicted for the still unknown SO2Br2. A comparison is made with results published for the VO2X2- anions.

  1. A scaled quantum mechanical force field for the sulfuryl halides. I. The symmetric halides SO 2X 2 (X=F, Cl, Br)

    NASA Astrophysics Data System (ADS)

    Fernández, L. E.; Verón, M. G.; Varetti, E. L.

    2004-01-01

    Force fields and vibrational wavenumbers were calculated for the molecules SO 2X 2 (X=F, Cl, Br) using DFT techniques. The previously available experimental data and assignments for SO 2F 2 and SO 2Cl 2 were compared with the theoretical results and revised, and new low temperature infrared and Raman data were obtained for SO 2Cl 2. These data were subsequently used in the definition of scaled quantum mechanics force fields for such molecules. Adjusted wavenumbers were also predicted for the still unknown SO 2Br 2. A comparison is made with results published for the VO 2X 2- anions.

  2. Laser Induced Fluorescence Spectroscopy SiCN : Rotational Analysis of the tilde{A} ^2Δ - tilde{X} ^2π Transition

    NASA Astrophysics Data System (ADS)

    Fukushima, Masaru; Ishiwata, Takashi

    2012-06-01

    We have generated SiCN in supersonic free jet expansions, and observed the laser induced fluorescence ( LIF ) of the tilde{A} ^2Δ - tilde{X} ^2π transition. We have measured rotationally resolved LIF excitation spectra of the three vibronic bands. Combining with rotational reported transitions, the rovibronic transitions of the three vibronic bands were analyzed simultaneously, and the spin-orbit constant of the tilde{X} ^2π state has been determined with precision of the rotational spectroscopy. A. J. Apponi, M. C. McCarthy, C. A. Gottlieb, and P. Thaddeus, Astrophys. J. 536, L55 (2000).

  3. Rate constants and H atom branching ratios of the gas-phase reactions of methylidyne CH(X2Pi) radical with a series of alkanes.

    PubMed

    Loison, Jean-Christophe; Bergeat, Astrid; Caralp, Françoise; Hannachi, Yacine

    2006-12-21

    The reactions of the CH radical with several alkanes were studied, at room temperature, in a low-pressure fast-flow reactor. CH(X2Pi, v = 0) radicals were obtained from the reaction of CHBr(3) with potassium atoms. The overall rate constants at 300 K are (0.76 +/- 0.20) x 10(-10) [Fleurat-Lessard, P.; Rayez, J. C.; Bergeat, A.; Loison, J. C. Chem. Phys. 2002, 279, 87],1 (1.60 +/- 0.60) x 10(-10)[Galland, N.; Caralp, F.; Hannachi, Y.; Bergeat, A.; Loison, J.-C. J. Phys. Chem. A 2003, 107, 5419],2 (2.20 +/- 0.80) x 10(-10), (2.80 +/- 0.80) x 10(-10), (3.20 +/- 0.80) x 10(-10), (3.30 +/- 0.60) x 10(-10), and (3.60 +/- 0.80) x 10(-10) cm3 molecule(-1) s(-1), (errors refer to +/-2sigma) for methane, ethane, propane, n-butane, n-pentane, neo-pentane, and n-hexane respectively. The experimental overall rate constants correspond to those obtained using a simple classical capture theory. Absolute atomic hydrogen production was determined by V.U.V. resonance fluorescence, with H production from the CH + CH4 reaction being used as a reference. Observed H branching ratios were for CH4, 1.00[Fleurat-Lessard, P.; Rayez, J. C.; Bergeat, A.; Loison, J. C. Chem. Phys. 2002, 279, 87];1 C(2)H(6), 0.22 +/- 0.08 [Galland, N.; Caralp, F.; Hannachi, Y.; Bergeat, A.; Loison, J.-C. J. Phys. Chem. A 2003, 107, 5419];2 C(3)H(8), 0.19 +/- 0.07; C(4)H(10) (n-butane), 0.14 +/- 0.06; C(5)H(12) (n-pentane), 0.52 +/- 0.08; C(5)H(12) (neo-pentane), 0.51 +/- 0.08; C(5)H(12) (iso-pentane), 0.12 +/- 0.06; C(6)H(14) (n-hexane), 0.06 +/- 0.04.

  4. TIME DELAYS IN QUASI-PERIODIC PULSATIONS OBSERVED DURING THE X2.2 SOLAR FLARE ON 2011 FEBRUARY 15

    SciTech Connect

    Dolla, L.; Marque, C.; Seaton, D. B.; Dominique, M.; Berghmans, D.; Cabanas, C.; De Groof, A.; Verdini, A.; West, M. J.; Zhukov, A. N.; Van Doorsselaere, T.; Schmutz, W.; Zender, J.

    2012-04-10

    We report observations of quasi-periodic pulsations (QPPs) during the X2.2 flare of 2011 February 15, observed simultaneously in several wavebands. We focus on fluctuations on timescale 1-30 s and find different time lags between different wavebands. During the impulsive phase, the Reuven Ramaty High Energy Solar Spectroscopic Imager channels in the range 25-100 keV lead all the other channels. They are followed by the Nobeyama RadioPolarimeters at 9 and 17 GHz and the extreme-ultraviolet (EUV) channels of the Euv SpectroPhotometer (ESP) on board the Solar Dynamic Observatory. The zirconium and aluminum filter channels of the Large Yield Radiometer on board the Project for On-Board Autonomy satellite and the soft X-ray (SXR) channel of ESP follow. The largest lags occur in observations from the Geostationary Operational Environmental Satellite, where the channel at 1-8 A leads the 0.5-4 A channel by several seconds. The time lags between the first and last channels is up to Almost-Equal-To 9 s. We identified at least two distinct time intervals during the flare impulsive phase, during which the QPPs were associated with two different sources in the Nobeyama RadioHeliograph at 17 GHz. The radio as well as the hard X-ray channels showed different lags during these two intervals. To our knowledge, this is the first time that time lags are reported between EUV and SXR fluctuations on these timescales. We discuss possible emission mechanisms and interpretations, including flare electron trapping.

  5. Magnetohydrodynamic simulation of the x2.2 solar flare on 2011 February 15. I. Comparison with the observations

    SciTech Connect

    Inoue, S.; Magara, T.; Choe, G. S.; Hayashi, K.; Park, Y. D.

    2014-06-20

    We performed a magnetohydrodynamic (MHD) simulation using a nonlinear force-free field (NLFFF) in solar active region 11158 to clarify the dynamics of an X2.2-class solar flare. We found that the NLFFF never shows the dramatic dynamics seen in observations, i.e., it is in a stable state against the perturbations. On the other hand, the MHD simulation shows that when the strongly twisted lines are formed at close to the neutral line, which are produced via tether-cutting reconnection in the twisted lines of the NLFFF, they consequently erupt away from the solar surface via the complicated reconnection. This result supports the argument that the strongly twisted lines formed in NLFFF via tether-cutting reconnection are responsible for breaking the force balance condition of the magnetic fields in the lower solar corona. In addition to this, the dynamical evolution of these field lines reveals that at the initial stage the spatial pattern of the footpoints caused by the reconnection of the twisted lines appropriately maps the distribution of the observed two-ribbon flares. Interestingly, after the flare, the reconnected field lines convert into a structure like the post-flare loops, which is analogous to the extreme ultraviolet image taken by the Solar Dynamics Observatory. Eventually, we found that the twisted lines exceed a critical height at which the flux tube becomes unstable to the torus instability. These results illustrate the reliability of our simulation and also provide an important relationship between flare and coronal mass ejection dynamics.

  6. Numerical Prediction of Radiation Measurements Taken in the X2 Facility for Mars and Titan Gas Mixtures

    NASA Technical Reports Server (NTRS)

    Palmer, Grant; Prabhu, Dinesh; Brandis, Aaron; McIntyre, Timothy J.

    2011-01-01

    Thermochemical relaxation behind a normal shock in Mars and Titan gas mixtures is simulated using a CFD solver, DPLR, for a hemisphere of 1 m radius; the thermochemical relaxation along the stagnation streamline is considered equivalent to the flow behind a normal shock. Flow simulations are performed for a Titan gas mixture (98% N2, 2% CH4 by volume) for shock speeds of 5.7 and 7.6 km/s and pressures ranging from 20 to 1000 Pa, and a Mars gas mixture (96% CO2, and 4% N2 by volume) for a shock speed of 8.6 km/s and freestream pressure of 13 Pa. For each case, the temperatures and number densities of chemical species obtained from the CFD flow predictions are used as an input to a line-by-line radiation code, NEQAIR. The NEQAIR code is then used to compute the spatial distribution of volumetric radiance starting from the shock front to the point where thermochemical equilibrium is nominally established. Computations of volumetric spectral radiance assume Boltzmann distributions over radiatively linked electronic states of atoms and molecules. The results of these simulations are compared against experimental data acquired in the X2 facility at the University of Queensland, Australia. The experimental measurements were taken over a spectral range of 310-450 nm where the dominant contributor to radiation is the CN violet band system. In almost all cases, the present approach of computing the spatial variation of post-shock volumetric radiance by applying NEQAIR along a stagnation line computed using a high-fidelity flow solver with good spatial resolution of the relaxation zone is shown to replicate trends in measured relaxation of radiance for both Mars and Titan gas mixtures.

  7. The microwave and millimeter spectrum of ZnCCH (tilde {X}2Σ+): A new zinc-containing free radical

    NASA Astrophysics Data System (ADS)

    Min, J.; Halfen, D. T.; Sun, M.; Harris, B.; Ziurys, L. M.

    2012-06-01

    The pure rotational spectrum of the ZnCCH (tilde X2Σ+) radical has been measured using Fourier transform microwave (FTMW) and millimeter direct-absorption methods in the frequency range of 7-260 GHz. This work is the first study of ZnCCH by any type of spectroscopic technique. In the FTMW system, the radical was synthesized in a mixture of zinc vapor and 0.05% acetylene in argon, using a discharge assisted laser ablation source. In the millimeter-wave spectrometer, the molecule was created from the reaction of zinc vapor, produced in a Broida-type oven, with pure acetylene in a dc discharge. Thirteen rotational transitions were recorded for the main species, 64ZnCCH, and between 4 and 10 for the 66ZnCCH, 68ZnCCH, 64ZnCCD, and 64Zn13C13CH isotopologues. The fine structure doublets were observed in all the data, and in the FTMW spectra, hydrogen, deuterium, and carbon-13 hyperfine splittings were resolved. The data have been analyzed with a 2Σ Hamiltonian, and rotational, spin-rotation, and H, D, and 13C hyperfine parameters have been established for this radical. From the rotational constants, an rm(1) structure was determined with rZn-C = 1.9083 Å, rC-C = 1.2313 Å, and rC-H = 1.0508 Å. The geometry suggests that ZnCCH is primarily a covalent species with the zinc atom singly bonded to the C≡C—H moiety. This result is consistent with the hyperfine parameters, which suggest that the unpaired electron is localized on the zinc nucleus. The spin-rotation constant indicates that an excited 2Π state may exist ˜19 000 cm-1 in energy above the ground state.

  8. The Conterminous United States Mineral-Resource Assessment Program; background information to accompany folios of geologic and mineral-resource maps of the Harrison 1 degree x 2 degrees quadrangle, Missouri and Arkansas, and the Joplin 1 degree x 2 degrees quadrangle Kansas and Missouri

    USGS Publications Warehouse

    Pratt, Walden P.

    1997-01-01

    The Harrison 1 deg X 2 deg quadrangle in southwestern Missouri and northwestern Arkansas and the Joplin 1 deg X 2 deg quadrangle in southeastern Kansas and southwestern Missouri were studied under the Conterminous United States Mineral-Resource Assessment Program (CUSMAP). Map publications in the CUSMAP folios included bedrock geology, subsurface geochemistry, geophysics, subsurface stratigraphy and lithofacies, and potential resources of metallic and industrial minerals and coal. This report summarizes the contents of those publications and related studies.

  9. Neutron diffraction and ac susceptibility studies of the solid solutions UMM'X 2 (M, M' = Co, Ni, Cu; X = Si, Ge)

    NASA Astrophysics Data System (ADS)

    Kuznietz, Moshe; André, Gilles; Bourée, Françoise; Pinto, Haim; Ettedgui, Hanania; Melamud, Mordechai

    1994-11-01

    Polycrystalline samples of the intermediate solid solutions of the UM 2X 2 compounds (M, M' = Co, Ni, Cu; X = Si, Ge), namely UMM'X 2, have been prepared and studied by ac susceptibility and neutron diffraction measurements. They crystallize in the body-centered tetragonal ThCr 2Si 2-type structure (space group I4/mmm) and order magnetically, with the exception of UCoNiGe 2, which crystallizes in the primitive tetragonal CaBe 2Ge 2-type structure (space group P4/nmm) and does not order magnetically. UCoNiSi 2, UNiCuSi 2, and UNiCuGe 2 order antiferromagnetically below TN = (115±5), (150±2) and (140±5) K, respectively, with the AF-I structure of alternate (+-+-) ferromagnetic uranium basal planes and a wavevector k = (0, 0, 1). UCoCuSi 2 and UCoCuGe 2 order ferromagnetically below TC=(107±5) and (114±5) K and undergo transition to the AF-I structure below To=(95±5) and (94±5) K, respectively. The uranium ordered moments are along the tetragonal axis. The magnetic properties of the UMM'X 2 solid solutions are discussed and compared with those of the UM 2X 2 compounds.

  10. TRPV1, ASICs and P2X2/3 expressed in bone cells simultaneously regulate bone metabolic markers in ovariectomized mice

    PubMed Central

    Kanaya, K.; Iba, K.; Dohke, T.; Okazaki, S.; Yamashita, T.

    2016-01-01

    Objectives: Nociceptors are expressed at peripheral terminals of neurons. Recent studies have shown that TRPV1, a nociceptor, is expressed in bone tissue and regulates bone metabolism. We have demonstrated that a TRPV1 antagonist improved pain-like behavior in ovariectomized (OVX) mice. The aim of this study was to determine whether nociceptors, including TRPV1, acid-sensing ion channel (ASIC) and P2X2/3 are expressed in bone cells, and to examine the effects of nociceptor antagonists on bone metabolism. Methods: The expression of nociceptors in femoral bone tissue and cultured bone marrow cells in OVX and sham-operated mice were examined. The effects of nociceptor antagonists on the up-regulated expression of bone metabolic markers, Runx2, Osterix, osteocalcin and RANKL, were also examined. Results: TRPV1, ASIC 2 and 3, and P2X2 and 3, were expressed in bone tissue and bone marrow cells, and the expression levels of ASIC1 and 2, and P2X2 were significantly increased in OVX mice in comparison with those in sham mice. Treatment with nociceptor antagonists significantly inhibited the expression of bone metabolic markers in OVX mice. Conclusion: An array of nociceptors, TRPV1, ASICs and P2X2/3, could simultaneously regulate not only increases in skeletal pain but also bone turnover in OVX mice. PMID:27282458

  11. Bruker SMART X2S Benchtop System: A Means to Making X-Ray Crystallography More Mainstream in the Undergraduate Laboratory

    ERIC Educational Resources Information Center

    Guzei, Ilia A.; Hill, Nicholas J.; Zakai, Uzma I.

    2010-01-01

    Bruker SMART X2S is a portable benchtop diffractometer that requires only a 110 V outlet to operate. The instrument operation is intuitive and facile with an automation layer governing the workflow from behind the scenes. The user participation is minimal. At the end of an experiment, the instrument attempts to solve the structure automatically;…

  12. The Conterminous United States Mineral Assessment Program; background information to accompany folio of geologic and mineral resource maps of the Silver City 1 degree x 2 degrees Quadrangle, New Mexico and Arizona

    USGS Publications Warehouse

    Richter, Donald H.; Houser, B.B.; Watts, K.C.; Klein, D.P.; Sharp, W.N.; Drewes, Harald; Hedlund, D.C.; Raines, G.L.; Hassemer, J.R.

    1987-01-01

    The Silver City 1 ? x 2 ? quadrangle, consisting of about 20,650 km2 in southwestern New Mexico and southeastern Arizona, has been investigated by a multidisciplinary research team for the purpose of assessing its mineral resource potential. The results of this investigation are in a folio of 21 maps that contain detailed information on the geology, geochemistry, geophysics, mineral deposits, and potential mineral resources of the quadrangle. This Circular provides background information on the various studies and integrates the component maps. It contains an extensive selected bibliography pertinent to the geology and mineral deposits of the quadrangle. The quadrangle has produced more than $3.5 billion in mineral products since about 1850 and contains significant resources of gold, silver, copper, molybdenum, lead, zinc, iron, manganese-iron, zeolite minerals, and possibly tin and tungsten.

  13. Thermal Expansion Behavior of M(I)[AuX2(CN)2]-Based Coordination Polymers (M = Ag, Cu; X = CN, Cl, Br).

    PubMed

    Ovens, Jeffrey S; Leznoff, Daniel B

    2017-04-04

    Two sets of trans-[AuX2(CN)2](-)-based coordination polymer materials-M[AuX2(CN)2] (M = Ag; X = Cl, Br or M = Cu; X = Br) and M[Au(CN)4] (M = Ag, Cu)-were synthesized and structurally characterized and their dielectric constants and thermal expansion behavior explored. The M[AuX2(CN)2] series crystallized in a tightly packed, mineral-like structure featuring 1-D trans-[AuX2(CN)2](-)-bridged chains interconnected via a series of intermolecular Au···X and M···X (M = Ag, Cu) interactions. The M[Au(CN)4] series adopted a 2-fold interpenetrated 3-D cyano-bound framework lacking any weak intermolecular interactions. Despite the tight packing and the presence of intermolecular interactions, these materials exhibited decreased thermal stability over unbound trans-[AuX2(CN)2](-) in [(n)Bu4N][AuX2(CN)2]. A significant dielectric constant of up to εr = 36 for Ag[AuCl2(CN)2] (1 kHz) and a lower εr = 9.6 (1 kHz) for Ag[Au(CN)4] were measured and interpreted in terms of their structures and composition. A systematic analysis of the thermal expansion properties of the M[AuX2(CN)2] series revealed a negative thermal expansion (NTE) component along the cyano-bridged chains with a thermal expansion coefficient (αCN) of -13.7(11), -14.3(5), and -11.36(18) ppm·K(-1) for Ag[AuCl2(CN)2], Ag[AuBr2(CN)2], and Cu[AuBr2(CN)2], respectively. The Au···X and Ag···X interactions affect the thermal expansion similarly to metallophilic Au···Au interactions in M[Au(CN)2] and AuCN; replacing X = Cl with the larger Br atoms has a less significant effect. A similar analysis for the M[Au(CN)4] series (where the volume thermal expansion coefficient, αV, is 41(3) and 68.7(19) ppm·K(-1) for M = Ag, Cu, respectively) underscored the significance of the effect of the atomic radius on the flexibility of the framework and, thus, the thermal expansion properties.

  14. A crossed molecular beams study on the formation and energetics of the resonantly stabilized free i-C4H3(X2A‧) radical and its isotopomers

    NASA Astrophysics Data System (ADS)

    Gu, Xibin; Guo, Ying; Zhang, Fangtong; Mebel, Alexander M.; Kaiser, Ralf I.

    2007-06-01

    The chemical dynamics of the formation of the i-C 4H 3(X 2A') radical together with its partially deuterated isotopomers were investigated in eight crossed molecular beams experiments of dicarbon molecules in their XΣg+ electronic ground and in first excited a 3Π u state with (partially deuterated) ethylene at collision energies between 12.1 and 40.9 kJ mol -1. The center-of-mass angular distributions suggest that the reaction dynamics on the singlet and triplet surfaces are indirect and involve butatriene reaction intermediates. In case of the C 2/C 2H 4 reaction, the 'symmetric' singlet butatriene intermediate would lead solely to a symmetric center-of-mass angular distribution; however, in combination with isotopically labeled reactants, we deduced that triplet butatriene intermediates excited to B/C like rotations likely account for the observed asymmetries in the center-of-mass angular distributions at higher collision energies. The translational energy distributions are also indicative of the involvement of both the triplet and singlet surfaces which lead both to the i-C 4H 3(X 2A') radicals through lose (singlet) and tight (triplet) exit transitions states. Also, our experiments helped to determine the enthalpy of formation of the i-C 4H 3(X 2A') radical to be about 504 ± 10 kJ mol -1 in good agreement with previous computational studies suggesting 498-499 kJ mol -1. The explicit identification of the resonance-stabilized i-C 4H 3(X 2A') radical proposes that the reaction of dicarbon with ethylene can lead to formation of i-C 4H 3(X 2A') in combustion flames; the n-C 4H 3(X 2A') isomer is not formed in this reaction. This conclusion correlates nicely with Hansen's et al. flame experiments at the advanced light source observing only the i-C 4H 3(X 2A') radical in hydrocarbon flames.

  15. Mass spectrum of the 1-butene-3-yne-2-yl radical (i-C4H3; X2A')

    NASA Astrophysics Data System (ADS)

    Guo, Ying; Gu, Xibin; Kaiser, Ralf I.

    2006-03-01

    The crossed molecular beams method has been applied to produce the 1-butene-3-yne-2-yl radical, i-C4H3(X2A') under single collision conditions via the reaction of dicarbon molecules with ethylene. We recorded time-of-flight spectra of the radical at the center-of-mass angle (28.0°) of the parent ion (m/z = 51; C4H3+) and of the fragments at m/z = 50 (C4H2+), m/z = 49 (C4H+), m/z = 48 (C4+), m/z = 39 (C3H3+), m/z = 38 (C3H2+), m/z = 37 (C3H+), and m/z = 36 (C3+). This yielded relative intensity ratios of I(m/z = 51):I(m/z = 50):I(m/z = 49):I(m/z = 48):I(m/z = 39):I(m/z = 38):I(m/z = 37):I(m/z = 36) = 0.47 +/- 0.01:0.94 +/- 0.01:1.0:0.07 +/- 0.02:0.31 +/- 0.01:0.23 +/- 0.02:0.24 +/- 0.01:0.12 +/- 0.01 at 70 eV electron impact energy. Upper limits at mass-to-charge ratios between 27 and m/z = 24 and m/z = 14-12 were derived to be 0.02 +/- 0.01. Note that the intensity of the 13C isotopic peak of the 1-butene-3-yne-2-yl radical at m/z = 52 (13C12C3H3+) is about 0.04 +/- 0.01 relative to m/z = 51. Employing linear scaling methods, the absolute electron impact ionization cross section of the 1-butene-3-yne-2-yl radical was computed to be 7.8 +/- 1.6 × 10-16 cm2. These data can be employed to monitor the 1-butene-3-yne-2-yl radical in oxygen-poor combustion flames and in the framework of prospective explorations of planetary atmospheres (Jupiter, Saturn, Uranus, Neptune, Pluto) and of their moons (Titan, Triton, Oberon) in situ via matrix interval arithmetic assisted mass spectrometry.

  16. The magnetic properties of natural and synthetic (Fe x, Mg 1 - x) 2 SiO 4 olivines

    NASA Astrophysics Data System (ADS)

    Belley, France; Ferré, Eric C.; Martín-Hernández, Fátima; Jackson, Michael J.; Dyar, M. Darby; Catlos, Elizabeth J.

    2009-07-01

    Olivine is an abundant orthosilicate in the solar system, in the upper mantle of rocky planets, in meteorites and interstellar dust. The magnetic properties of (Fe x, Mg 1 - x) 2 SiO 4 olivines result from the silicate matrix and its iron-rich inclusions and have not always been separated in previous studies. The properties of the matrix are important to understand mantle rocks' anisotropy and their deformation, both in xenoliths and peridotite massifs, while the inclusions are potential paleomagnetic and paleointensity recorders. In this study, we performed new measurements on 7 natural and 23 synthetic ferromagnesian olivines, covering the whole range from forsterite Mg 2SiO 4 (Fo 100) to fayalite Fe 2SiO 4 (Fo 0) and from 4 to 310 K. Many of our specimens contain ferromagnetic inclusions (magnetite or maghemite), with magnetic sizes ranging from superparamagnetic to multidomain. The respective contributions of the matrix and the inclusions are systematically isolated using magnetic fields large enough to saturate the ferromagnetic component due to inclusions. At room temperature, as predicted by molecular field theory, while the forsterite end-member is diamagnetic ( XHF = - 6.8 10 - 10 m 3/kg) and the fayalite end-member is paramagnetic ( XHF = 1.10 10 - 6 m 3/kg), their magnetic properties do not vary linearly with iron content. These olivines also exhibit one or two magnetic transitions at composition-dependent low temperatures. At the Néel temperature ( TN), olivines exhibit a first magnetic transition from paramagnetic to antiferromagnetic behavior, indicated by negative paramagnetic Curie temperatures ( θ). A second transition ( Tt) occurs at lower temperatures for specimens with x ≥ 0.1, and could be attributed to a change from collinear to canted antiferromagnetic state. In the range Fo 83-Fo 93, corresponding to the Earth's upper mantle, the anisotropy of magnetic susceptibility (AMS) is directionally consistent, with the AMS principal axes K1, K2

  17. Cytokines induce nitric oxide production in mouse osteoblasts.

    PubMed

    Damoulis, P D; Hauschka, P V

    1994-06-15

    MC3T3-E1 mouse clonal osteogenic cells were incubated with interferon-gamma, interleukin-1 beta, tumor necrosis factor-alpha, and E. coli lipopolysaccharide. TNF alpha, IL-1 beta, and LPS caused a dose- and time-dependent increase of nitrite (NO2-), the stable metabolite of nitric oxide (NO), in conditioned media over 48 hours, while IFN gamma had a minimal effect. Different combinations of the same factors caused a synergistic enhancement of NO2- accumulation, except for IL-1 beta with LPS. The earliest detectable NO2- production was at 6-9 hours, with continued accumulation over 48 hours. NO2- production was inhibited dose-dependently by three arginine analogs known to be specific inhibitors of NO synthase, as well as by actinomycin D, cycloheximide, and dexamethasone; EGTA or indomethacin had a small inhibitory effect. It is concluded that osteoblast-like cells can be induced by proinflammatory cytokines and bacterial endotoxin to produce NO, which can play an important role in bone pathophysiology.

  18. The five near-iron transporter (NEAT) domain anthrax hemophore, IsdX2, scavenges heme from hemoglobin and transfers heme to the surface protein IsdC.

    PubMed

    Honsa, Erin Sarah; Fabian, Marian; Cardenas, Ana Maria; Olson, John S; Maresso, Anthony William

    2011-09-23

    Pathogenic bacteria require iron to replicate inside mammalian hosts. Recent studies indicate that heme acquisition in Gram-positive bacteria is mediated by proteins containing one or more near-iron transporter (NEAT) domains. Bacillus anthracis is a spore-forming, Gram-positive pathogen and the causative agent of anthrax disease. The rapid, extensive, and efficient replication of B. anthracis in host tissues makes this pathogen an excellent model organism for the study of bacterial heme acquisition. B. anthracis secretes two NEAT hemophores, IsdX1 and IsdX2. IsdX1 contains a single NEAT domain, whereas IsdX2 has five, a novel property among hemophores. To understand the functional significance of harboring multiple, non-identical NEAT domains, we purified each individual NEAT domain of IsdX2 as a GST fusion and analyzed the specific function of each domain as it relates to heme acquisition and transport. NEAT domains 1, 3, 4, and 5 all bind heme, with domain 5 having the highest affinity. All NEATs associate with hemoglobin, but only NEAT1 and -5 can extract heme from hemoglobin, seemingly by a specific and active process. NEAT1, -3, and -4 transfer heme to IsdC, a cell wall-anchored anthrax NEAT protein. These results indicate that IsdX2 has all the features required to acquire heme from the host and transport heme to the bacterial cell wall. Additionally, these results suggest that IsdX2 may accelerate iron import rates by acting as a "heme sponge" that enhances B. anthracis replication in iron-starved environments.

  19. Negatively charged phospholipids suppress IFN-{gamma} production in T cells

    SciTech Connect

    Yotsumoto, Satoshi; Kakiuchi, Terutaka; Aramaki, Yukihiko . E-mail: aramaki@ps.toyaku.ac.jp

    2005-12-30

    The effect of phospholipids on IFN-{gamma} production in mouse T cells was investigated. Phosphatidylserine (PS), which has a negatively charged head group, completely inhibited IFN-{gamma} production in splenic naive T cells and antigen-dependent IFN-{gamma} production in Th1 clone 42-6A cells, whereas other phospholipids, which have neutrally charged head group, had no effect. The structural requirements for IFN-{gamma} inhibitory effects by PS were investigated, and dimyristoyl-PS (C14: 0) and dipalmitoyl-PS (C16: 0) had no effect on IFN-{gamma} production, and interestingly, distearoyl-PS (18: 0) increased IFN-{gamma} production. Dioleoyl-PS (C18: 1), dilinoleoyl-PS (C18: 2), and oleoyl-lyso-PS (C18: 1) completely inhibited IFN-{gamma} production. To clarify this mechanism, we focused on the stability of IFN-{gamma} mRNA, and the treatment of splenic naive T cells with PS brought about 40% reductions in IFN-{gamma} mRNA expression in the presence of actinomycin D. Collectively, IFN-{gamma} inhibitory effects by PS are highly dependent on the molecular structure of PS and involve the decreasing of the stability of IFN-{gamma} mRNA.

  20. Summary mineral resource appraisal of the Richfield 1 degree x 2 degrees Quadrangle, west-central Utah

    USGS Publications Warehouse

    Steven, Thomas August; Morris, Hal T.

    1987-01-01

    The mineral resource potential of the Richfield 1? x 2? quadrangle, Utah, has been appraised using geological, geophysical, geochemical, and remote-sensing techniques. These studies have led to many publications giving basic data and interpretations; of these, a series of 18 maps at 1:250,000 and 1:500,000 scales summarizing aspects of the geology, geophysics, geochemistry, and remote sensing is designated the CUSMAP (Conterminous United States Mineral Appraisal Program) folio. This circular uses the data shown on these maps to appraise the mineral resource potential of the quadrangle. The oldest rocks exposed in the Richfield quadrangle are small patches of Early Proterozoic (1.7 billion years old) gneiss and schist on the west side of the Mineral Mountains. These rocks presumably formed the basement on which many thousands of meters of Late Proterozoic, Paleozoic, and lower Mesozoic sedimentary strata were deposited. These rocks were deformed during the Late Cretaceous Sevier orogeny when Precambrian and Paleozoic strata in the western part of the quadrangle were thrust relatively eastward across Paleozoic and Mesozoic strata in the eastern part of the quadrangle. Late Cretaceous and early Tertiary highlands above the overthrust belt were eroded and much of the debris was deposited in broad basins east of the belt. Volcanism in Oligocene and earliest Miocene time formed an east-northeast-trending belt of calcalkalic volcanoes across the southern half of the quadrangle. In early Miocene time, the composition of the volcanic rocks changed to a bimodal assemblage of mafic rocks and high-silica alkali rhyolite that has been erupted episodically ever since. Syngenetic mineral resources developed during formation of both sedimentary and volcanic rocks. These include limestone and dolomite, silica-rich sandstone, metalliferous black shale, evaporite deposits, zeolite deposits, pumice, cinders and scoria, and evaporitic or diagenetic deposits in playa environments. Most

  1. Halogen-π Interactions between Benzene and X2/CX4 (X = Cl, Br): Assessment of Various Density Functionals with Respect to CCSD(T).

    PubMed

    Youn, Il Seung; Kim, Dong Yeon; Cho, Woo Jong; Madridejos, Jenica Marie L; Lee, Han Myoung; Kołaski, Maciej; Lee, Joonho; Baig, Chunggi; Shin, Seung Koo; Filatov, Michael; Kim, Kwang S

    2016-11-23

    Various types of interactions between halogen (X) and π moiety (X-π interaction) including halogen bonding play important roles in forming the structures of biological, supramolecular, and nanomaterial systems containing halogens and aromatic rings. Furthermore, halogen molecules such as X2 and CX4 (X = Cl/Br) can be intercalated in graphite and bilayer graphene for doping and graphene functionalization/modification. Due to the X-π interactions, though recently highly studied, their structures are still hardly predictable. Here, using the coupled-cluster with single, double, and noniterative triple excitations (CCSD(T)), the Møller-Plesset second-order perturbation theory (MP2), and various flavors of density functional theory (DFT) methods, we study complexes of benzene (Bz) with halogen-containing molecules X2 and CX4 (X = Cl/Br) and analyze various components of the interaction energy using symmetry adapted perturbation theory (SAPT). As for the lowest energy conformers (S1), X2-Bz is found to have the T-shaped structure where the electropositive X atom-end of X2 is pointing to the electronegative midpoint of CC bond of the Bz ring, and CX4-Bz has the stacked structure. In addition to this CX4-Bz (S1), other low energy conformers of X2-Bz (S2/S3) and CX4-Bz (S2) are stabilized primarily by the dispersion interaction, whereas the electrostatic interaction is substantial. Most of the density functionals show noticeable deviations from the CCSD(T) complete basis set (CBS) limit binding energies, especially in the case of strongly halogen-bonded conformers of X2-Bz (S1), whereas the deviations are relatively small for CX4-Bz where the dispersion is more important. The halogen bond shows highly anisotropic electron density around halogen atoms and the DFT results are very sensitive to basis set. The unsatisfactory performance of many density functionals could be mainly due to less accurate exchange. This is evidenced from the good performance by the dispersion

  2. Room-temperature electronic template effect of the SmSi(111)-8x2 interface for self-alignment of organic molecules.

    PubMed

    Makoudi, Younes; Duverger, Eric; Arab, Madjid; Chérioux, Frédéric; Ample, Franscisco; Rapenne, Gwénaël; Bouju, Xavier; Palmino, Frank

    2008-07-14

    This work describes an innovative concept for the development of organized molecular systems based on the template effect of the pre-structured semi-conductive SmSi(111) interface. This substrate is selected because Sm deposition in the submonolayer range leads to a 8x2-reconstruction, which is a well-defined one-dimensional semi-metallic structure. Adsorption of aromatic molecules [1,4-di-(9-ethynyltriptycenyl)-benzene] on SmSi(111)- 8x2 and Si(111)-7x7 interfaces is investigated by scanning tunneling microscopy (STM) at room temperature. Density functional theory (DFT) and semi-empirical (ASED+) calculations define the nature of the molecular adsorption sites of the target molecule on SmSi as well as their self-alignment on this interface. Experimental data and theoretical results are in good agreement.

  3. The ab initio study of halogen and hydrogen σN-bonded para-substituted pyridine⋯(X2/XY/HX) complexes

    NASA Astrophysics Data System (ADS)

    Sladek, Vladimir; Škorňa, Peter; Poliak, Peter; Lukeš, Vladimír

    2015-01-01

    Optimal geometries and interaction energies of eleven model para-substituted pyridine⋯X2/XY/HX (X2 = F2, Cl2, Br2; XY = ClF, BrF, BrCl and HX = HF, HCl, HBr) complexes have been investigated systematically at the ab initio MP2 level of theory. Contrary to the hydrogen bonded complexes, the interaction energies of the complexes stabilized via the halogen bond rise with the increase of the atom size in the interacting diatomic molecules. Also, the decrease of the substituent's electron withdrawing ability has significant influence on the complex stability. Finally, the evaluated interaction energies correlate reasonably well with the Hammett's constants.

  4. Sport ability beliefs, 2 x 2 achievement goals, and intrinsic motivation: the moderating role of perceived competence in sport and exercise.

    PubMed

    Wang, C K John; Liu, Woon Chia; Lochbaum, Marc R; Stevenson, Sarah J

    2009-06-01

    We examined whether perceived competence moderated the relationships between implicit theories, 2 x 2 achievement goals, and intrinsic motivation for sports and physical activity. We placed 309 university students into high and moderate perceived competence groups. When perceived competence was high, entity beliefs did not predict the performance-avoidance goal; yet when perceived competence was moderately low, entity beliefs did predict this goal. The mastery-avoidance goal had no relationship with intrinsic motivation when perceived competence was high, but had a significant negative relationship when perceived competence was moderately low. Our findings highlight the importance of reexamining the role of perceived competence when studying implicit beliefs and the 2 x 2 achievement goals.

  5. Calculations of α/γ phase boundaries in Fe-C-X1X2 systems from the central atoms model

    NASA Astrophysics Data System (ADS)

    Tanaka, T.; Aaronson, H. I.; Enomoto, M.

    1995-03-01

    The α/γ phase boundaries in Fe-C-X1-X2 quaternary alloys (where X1 = Mn and X2 = Si, Ni, and Co, successively) are calculated from the Central Atoms model, as generalized to multi-component systems by Foo and Lupis. The interaction parameters are evaluated from the Wagner interaction parameters in ternary iron alloys reported in the literature or estimated from the interaction parameters in binary alloys. Two equilibrium conditions, para- and ortho-equilibrium, are utilized. In the Fe-C-Mn-Si system, a mixed state of equilibrium, in which orthoequilibrium is achieved with respect to C and Si while the other two substitutional elements (Fe and Mn) are assumed to be immobile (paraequilibrium), is also considered. The calculated phase boundaries are employed to evaluate the free energy change for the nucleation and the growth kinetics of proeutectoid ferrite in these alloys in companion articles.

  6. Q-factor measurements of the bulk resistivity and nonmetal-metal transitions in LaHx and CeHx (x>=2.70)

    NASA Astrophysics Data System (ADS)

    Shinar, J.; Dehner, B.; Beaudry, B. J.; Peterson, D. T.

    1988-02-01

    The resistivity ρ(T) of CeHx, x=2.70, 2.78, and LaHx, x=2.70, 2.80 2.90, and 2.93, was measured in the temperature range 100<=T<=500 K, using an indirect Q-meter technique. The measured values of CeH2.78 are in excellent agreement with the previous direct-contact measurements of Libowitz, Pack, and Binnie. In all cases except LaH2.93, ρ(T) peaks at 240<=T<=270 K, in rough agreement with the onset of the slight tetragonal distortion of the fcc phase and/or the formation of an ordered hydrogen superlattice. Thus, the temperature coefficient of the resistivity α is positive below the peak but negative above. In LaH2.90 the peak is very sharp and the behavior semiconductinglike above 250 K. In LaH2.93 the behavior is semiconductinglike throughout the measured range. The room-temperature resistivity of LaHx rises sharply with x, from around 7×10-4 Ω cm at x=2.70 to around 0.5 Ω cm at x=2.93. These results are discussed in light of previous experimental results and band-structure calculations of LaH2 and LaH3. It is suggested that the peak in ρ(T) is induced by an order-disorder transition, and the density of states at the Fermi level rapidly decreases to zero and a gap is consequently opened up as the concentration x approaches the trihydride stoichiometric limit.

  7. Geology and mineral resources of the Florence, Beaufort, Rocky Mount, and Norfolk 1/sup 0/ x 2/sup 0/ NTMS quadrangles. National Uranium Resource Evaluation program

    SciTech Connect

    Harris, W.B.

    1982-08-01

    This document provides geologic and mineral resources data for previously-issued Savannah River Laboratory hydrogeochemical and stream sediment reports of the Beaufort, Florence, Norfolk, and Rocky Mount 1/sup 0/ x 2/sup 0/ National Topographic Map Series quadrangles in the southeastern United States. This report is issued in draft form, without detailed technical and copy editing. This was done to make the report available to the public before the end of the National Uranium Resource Evaluation program.

  8. Data on ground-water quality for the Walker Lake 1 degree x 2 degree quadrangle, western Nevada and eastern California

    USGS Publications Warehouse

    Welch, Alan H.; Williams, Rhea P.

    1987-01-01

    Water quality data for groundwater has been compiled for the Walker Lake 1 degree x 2 degree quadrangle which covers a portion of western Nevada and eastern California. Chemical characteristics of the water are shown on a map (at a scale of 1:250,000) and on trilinear diagrams for the major ions. The data for the area are also presented in a table. (USGS)

  9. Minodronic acid induces morphological changes in osteoclasts at bone resorption sites and reaches a level required for antagonism of purinergic P2X2/3 receptors.

    PubMed

    Tanaka, Makoto; Hosoya, Akihiro; Mori, Hiroshi; Kayasuga, Ryoji; Nakamura, Hiroaki; Ozawa, Hidehiro

    2017-02-27

    Minodronic acid is an aminobisphosphonate that is an antagonist of purinergic P2X2/3 receptors involved in pain. The aim of this study was to investigate the action and distribution of minodronic acid and the potential for P2X2/3 receptor antagonism based on the estimated concentration of minodronic acid. Microlocalization of radiolabeled minodronic acid was examined in the femur of neonatal rats. The bone-binding characteristics of minodronic acid and morphological changes in osteoclasts were analyzed in vitro. The minodronic acid concentration around bone resorption lacunae was predicted based on bone binding and the shape of lacunae. In microautoradiography, radioactive silver grains were abundant in bone-attached osteoclasts and were detected in calcified and ossification zones and in the cytoplasm of osteoclasts but not in the hypertrophic cartilage zone. In an osteoclast culture with 1 µM minodronic acid, 65% of minodronic acid was bound to bone, and C-terminal cross-linking telopeptide release was inhibited by 96%. Cultured osteoclasts without minodronic acid treatment formed ruffled borders and bone resorption lacunae and had rich cytoplasm, whereas those treated with 1 µM minodronic acid were not multinucleated, stained densely with toluidine blue, and were detached from the bone surface. In the 1 µM culture, the estimated minodronic acid concentration in resorption lacunae was 880 µM, which is higher than the IC50 for minodronic acid antagonism of P2X2/3 receptors. Thus, inhibition of P2X2/3 receptors around osteoclasts may contribute to the analgesic effect of minodronic acid.

  10. Coordination Chemistry of Diiodine and Implications for the Oxidation Capacity of the Synergistic Ag(+) /X2 (X=Cl, Br, I) System.

    PubMed

    Malinowski, Przemysław J; Himmel, Daniel; Krossing, Ingo

    2016-08-01

    The synergistic Ag(+) /X2 system (X=Cl, Br, I) is a very strong, but ill-defined oxidant-more powerful than X2 or Ag(+) alone. Intermediates for its action may include [Agm (X2 )n ](m+) complexes. Here, we report on an unexpectedly variable coordination chemistry of diiodine towards this direction: (A)Ag-I2 -Ag(A), [Ag2 (I2 )4 ](2+) (A(-) )2 and [Ag2 (I2 )6 ](2+) (A(-) )2 ⋅(I2 )x≈0.65 form by reaction of Ag(A) (A=Al(OR(F) )4 ; R(F) =C(CF3 )3 ) with diiodine (single crystal/powder XRD, Raman spectra and quantum-mechanical calculations). The molecular (A)Ag-I2 -Ag(A) is ideally set up to act as a 2 e(-) oxidant with stoichiometric formation of 2 AgI and 2 A(-) . Preliminary reactivity tests proved this (A)Ag-I2 -Ag(A) starting material to oxidize n-C5 H12 , C3 H8 , CH2 Cl2 , P4 or S8 at room temperature. A rough estimate of its electron affinity places it amongst very strong oxidizers like MF6 (M=4d metals). This suggests that (A)Ag-I2 -Ag(A) will serve as an easily in bulk accessible, well-defined, and very potent oxidant with multiple applications.

  11. Transition between the 1 x 1 and ({radical}3 x 2{radical}3)R30{degree} surface structures of GaN in the vapor-phase environment

    SciTech Connect

    Munkholm, A.; Thompson, C.; Stephenson, G. B.; Eastman, J. A.; Auciello, O.; Fini, P.; Speck, J. S.; DenBaars, S. P.

    2000-01-12

    Out-of-plane structures of the GaN(0001) surface in the metal-organic chemical vapor deposition (MOCVD) environment have been determined using in situ grazing-incidence X-ray scattering. The authors measured 11{bar 2}{ell} crystal truncation rod intensities at a variety of temperatures and ammonia partial pressures on both sides of the 1 x 1 to ({radical}3 x 2{radical}3)R30{degree} surface phase transition. The out-of-plane structure of the ({radical}3 x 2{radical}3)R30{degree} phase appears to be nearly independent of temperature below the transition, while the structure of the 1 x 1 phase changes increase rapidly as the phase transition is approached from above. A model for the structure of the 1 x 1 phase with a partially-occupied top Ga layer agrees well with the data. The observed temperature dependence is consistent with a simple model of the equilibrium between the vapor phase and the surface coverage of Ga and N. In addition, the authors present results on the kinetics of reconstruction domain coarsening following a quench into the ({radical}3 x 2{radical}3)R30{degree} phase field.

  12. Schottky barrier height of Ni to β-(AlxGa1‑x)2O3 with different compositions grown by plasma-assisted molecular beam epitaxy

    NASA Astrophysics Data System (ADS)

    Ahmadi, Elaheh; Oshima, Yuichi; Wu, Feng; Speck, James S.

    2017-03-01

    Coherent β-(AlxGa1‑x)2O3 films (x = 0, 0.038, 0.084, 0.164) were grown successfully on a Sn-doped β-Ga2O3 (010) substrate using plasma-assisted molecular beam epitaxy. Atom probe tomography, transmission electron microscopy, and high resolution x-ray diffraction were used to verify the alloy composition and high quality of the films. Schottky diodes were then fabricated using Ni as the Schottky metal. Capacitance–voltage measurements revealed a very low (<7 × 1015 cm‑3) free charge density in the nominally undoped films. The barrier height and ideality factor were estimated by current–voltage (I–V) measurements performed at temperatures varying from 300 K to 500 K on the Schottky diodes. These measurements revealed that the apparent Schottky barrier height could have similar values for different compositions of β-(AlxGa1‑x)2O3. We believe this is attributed to the lateral fluctuation in the alloy’s composition. This results in a lateral variation in the barrier height. Therefore, the average Schottky barrier height extracted from I–V measurements could be similar for β-(AlxGa1‑x)2O3 films with different compositions.

  13. The ultraluminous X-ray sources NGC 1313 X-1 and X-2: A broadband study with NuSTAR and XMM-Newton

    SciTech Connect

    Bachetti, Matteo; Barret, Didier; Webb, Natalie A.; Rana, Vikram; Walton, Dominic J.; Harrison, Fiona A.; Fürst, Felix; Grefenstette, Brian W.; Madsen, Kristin K.; Boggs, Steven E.; Craig, William W.; Christensen, Finn E.; Fabian, Andrew C.; Hailey, Charles J.; Hornschemeier, Ann; Ptak, Andrew F.; Zhang, William W.; Miller, Jon M.; Stern, Daniel

    2013-12-01

    We present the results of NuSTAR and XMM-Newton observations of the two ultraluminous X-ray sources: NGC 1313 X-1 and X-2. The combined spectral bandpass of the two satellites enables us to produce the first spectrum of X-1 between 0.3 and 30 keV, while X-2 is not significantly detected by NuSTAR above 10 keV. The NuSTAR data demonstrate that X-1 has a clear cutoff above 10 keV, whose presence was only marginally detectable with previous X-ray observations. This cutoff rules out the interpretation of X-1 as a black hole in a standard low/hard state, and it is deeper than predicted for the downturn of a broadened iron line in a reflection-dominated regime. The cutoff differs from the prediction of a single-temperature Comptonization model. Further, a cold disk-like blackbody component at ∼0.3 keV is required by the data, confirming previous measurements by XMM-Newton only. We observe a spectral transition in X-2, from a state with high luminosity and strong variability to a lower-luminosity state with no detectable variability, and we link this behavior to a transition from a super-Eddington to a sub-Eddington regime.

  14. Influence of Time-Temperature Parameters on the Structure and Photoluminescence of (Y1- x Eu x )2O3 Crystalline Spheres

    NASA Astrophysics Data System (ADS)

    Bezkrovnyi, O. S.; Yermolayeva, Yu. V.; Matveevskaya, N. A.; Danylenko, M. I.; Baumer, V. N.; Parkhomenko, S. V.; Tolmachev, A. V.

    2015-02-01

    In this paper, sphere-like (Y1- x Eu x )2O3 nanocrystalline particles with ( x = 0.02;0.05;0.06;0.07;0.08, and 0.09) were obtained by the urea-based homogeneous precipitation technology followed by low-temperature crystallization from 600 to 900 °C. The structure and morphology of the (Y1- x Eu x )2O3 nanocrystalline particles and thermal stability of the nanocrystalline particles were investigated by means of transmission electron microscopy and x-ray diffraction analysis. The structural evaluation was established in relation to thermal conditions of sphere crystallization to ensure maximally effective luminescence of Eu3+ ions (5D0 → 7F2 transitions) with the morphological stability, the spherical shape of individual nanocrystalline particles remaining unchanged. The crystalline nanospheres were shown to have the threshold of concentration quenching of luminescence shifted toward lower concentrations of Eu3+ ions in comparison with micropowders of analogous composition. That may be caused by the formation of (Y1- x Eu x )2O3 composition with the concentration gradient of Eu3+, followed by accumulation of Eu3+ ions around the grain boundaries.

  15. A correlated ab initio study of the X2A1 and A2E states of MgCH3

    NASA Technical Reports Server (NTRS)

    Woon, D. E.

    1996-01-01

    The X2A1 and A2E states of the MgCH3 radical have been studied with correlation consistent basis sets and the coupled cluster method RCCSD(T) in order to compare with two recent experimental efforts [M. A. Anderson and L. M. Ziurys, Astrophys. J. 452, L157 (1995); R. Rubino, J. M. Williamson, and T. A. Miller, J. Chem. Phys. 103, 5964 (1995)]. The best computed values [RCCSD(T)/cc-pCVTZ] for the X2A1 state are (experimental results in parentheses): Ae = 160.433 GHz, Be = 10.948 GHz (B0 = 11.008 GHz), and Mue = 1.011 D. The Mg-CH3 bond is weak, 26.3 kcal/mol. Values for the A2E state are Ae = 154.648 GHz (A0 = 149.666 GHz), Be = 10.87 GHz (B0 = 10.932 GHz), and Mue = 1.022 D. The excitation energy (Te) for the A2E <-- X2A1 transition is 19 999 cm-1 (T00 = 20 030 cm-1). A brief discussion of bonding trends in Mg-containing radials is included.

  16. A global ab initio potential energy surface for the X 2A' ground state of the Si + OH → SiO + H reaction

    NASA Astrophysics Data System (ADS)

    Dayou, Fabrice; Duflot, Denis; Rivero-Santamaría, Alejandro; Monnerville, Maurice

    2013-11-01

    We report the first global potential energy surface (PES) for the X 2A' ground electronic state of the Si(3P) + OH(X2Π) → SiO(X^1Σ _g^+) + H(2S) reaction. The PES is based on a large number of ab initio energies obtained from multireference configuration interaction calculations plus Davidson correction (MRCI+Q) using basis sets of quadruple zeta quality. Corrections were applied to the ab initio energies in the reactant channel allowing a proper description of long-range interactions between Si(3P) and OH(X2Π). An analytical representation of the global PES has been developed by means of the reproducing kernel Hilbert space method. The reaction is found barrierless. Two minima, corresponding to the SiOH and HSiO isomers, and six saddle points, among which the isomerization transition state, have been characterized on the PES. The vibrational spectra of the SiOH/HSiO radicals have been computed from second-order perturbation theory and quantum dynamics methods. The structural, energetic, and spectroscopic properties of the two isomers are in good agreement with experimental data and previous high quality calculations.

  17. Little Rock and El Dorado 1/sup 0/ x 2/sup 0/ NTMS quadrangles and adjacent areas, Arkansas: data report (abbreviated)

    SciTech Connect

    Steel, K.F.; Cook, J.R.

    1981-07-01

    This abbreviated data report presents results of ground water and stream sediment reconnaissance in the National Topographic Map Series Little Rock 1/sup 0/ x 2/sup 0/ quadrangle (Cleveland, Dallas, and Howard Counties do not have stream sediment analyses); the El Dorado 1/sup 0/ x 2/sup 0/ quadrangle (only Clark County has stream sediment analyses); the western part (Lonoke and Jefferson Counties) of Helena 1/sup 0/ x 2/sup 0/ quadrangle; the southern part (Franklin, Logan, Yell, Perry, Faulkner, and Lonoke Counties) of Russellville 1/sup 0/ x 2/sup 0/ quadrangle; and the southwestern corner (Ashley County) of the Greenwood 1/sup 0/ x 2/sup 0/ quadrangle. Stream samples were collected at 943 sites in the Little Rock quadrangle, 806 sites in the El Dorado quadrangle, 121 sites in the Helena area, 292 sites in the Russellville area, and 77 in the Greenwood area. Ground water samples were collected at 1211 sites in the Little Rock quadrangle, 1369 sites in the El Dorado quadrangle, 186 sites in the Helena area, 470 sites in the Russellville area, and 138 sites in the Greenwood area. Stream sediment and stream water samples were collected from small streams at nominal density of one site per 21 square kilometers in rural areas. Ground water samples were collected at a nominal density of one site per 13 square kilometers. Neutron activation analysis results are given for uranium and 16 other elements in sediments, and for uranium and 8 other elements in ground water. Field measurements and observations are reported for each site. Uranium concentrations in the sediments ranged from less than 0.1 ppM to 23.5 ppM with a mean of 1.7 ppM. The ground water uranium mean concentration is 0.113 ppB, and the uranium concentrations range from less than 0.002 ppB to 15.875 ppB. High ground water uranium values in the Ouachita Mountain region of the Little Rock quadrangle appear to be associated with Ordovician black shale units.

  18. Modulation of bladder afferent signals in normal and spinal cord-injured rats by purinergic P2X3 and P2X2/3 receptors

    PubMed Central

    Munoz, Alvaro; Somogyi, George T.; Boone, Timothy B.; Ford, Anthony P.; Smith, Christopher P.

    2015-01-01

    OBJECTIVE • To evaluate the role of bladder sensory purinergic P2X3 and P2X2/3 receptors on modulating the activity of lumbosacral neurones and urinary bladder contractions in vivo in normal or spinal cord-injured (SCI) rats with neurogenic bladder overactivity. MATERIALS AND METHODS • SCI was induced in female rats by complete transection at T8 – T9 and experiments were performed 4 weeks later, when bladder overactivity developed. Non-transected rats were used as controls (normal rats). • Neural activity was recorded in the dorsal horn of the spinal cord and field potentials were acquired in response to intravesical pressure steps via a suprapubic catheter. Field potentials were recorded under control conditions, after stimulation of bladder mucosal purinergic receptors with intravesical ATP (1 mm), and after intravenous injection of the P2X3/P2X2/3 antagonist AF-353 (10 mg/kg and 20 mg/kg). • Cystometry was performed in urethaneanaesthetised rats intravesically infused with saline. AF-353 (10 mg/kg) was systemically applied after baseline recordings; the rats also received a second dose of AF-353 (20 mg/kg). Changes in the frequency of voiding (VC) and non-voiding (NVC) contractions were evaluated. RESULTS • SCI rats had significantly higher frequencies for field potentials and NVC than NL rats. Intravesical ATP increased field potential frequency in control but not SCI rats, while systemic AF-353 significantly reduced this parameter in both groups. • AF-353 also reduced the inter-contractile interval in control but not in SCI rats; however, the frequency of NVC in SCI rats was significantly reduced. CONCLUSION • The P2X3/P2X2/3 receptors on bladder afferent nerves positively regulate sensory activity and NVCs in overactive bladders. PMID:22540742

  19. From stable divalent to valence-fluctuating behaviour in Eu(Rh(1-x)Ir(x))2Si2 single crystals.

    PubMed

    Seiro, Silvia; Geibel, Christoph

    2011-09-21

    We have succeeded in growing high-quality single crystals of the valence-fluctuating system EuIr(2)Si(2), the divalent Eu system EuRh(2)Si(2) and the substitutional alloy Eu(Rh(1-x)Ir(x))(2)Si(2) across the range 0 < x < 1, which we characterized by means of x-ray diffraction, energy-dispersive x-ray spectroscopy, specific heat, magnetization and resistivity measurements. On increasing x, the divalent Eu ground state subsists up to x = 0.25 with a slight increase in Néel temperature, while for 0.3≤x < 0.7 a sharp hysteretic change in susceptibility and resistivity marks the first-order valence transition. For x≳0.7 the broad feature observed in the physical properties is characteristic of the continuous valence evolution beyond the critical end point of the valence transition line, and the resistivity is reminiscent of Kondo-like behaviour while the Sommerfeld coefficient indicates a mass renormalization of at least a factor of 8. The resulting phase diagram is similar to those reported for polycrystalline Eu(Pd(1-x)Au(x))(2)Si(2) and EuNi(2)(Si(1-x)Ge(x))(2), confirming its generic character for Eu systems, and markedly different to those of homologue Ce and Yb systems, which present a continuous suppression of the antiferromagnetism accompanied by a very smooth evolution of the valence. We discuss these differences and suggest them to be related to the large polarization energy of the Eu half-filled 4f shell. We further argue that the changes in the rare earth valence between RRh(2)Si(2) and RIr(2)Si(2) (R = Ce, Eu, Yb) are governed by a purely electronic effect and not by a volume effect.

  20. Einstein coefficients for rotational lines of the (0,0) band of the NO A2sigma(+)-X2Pi system

    NASA Technical Reports Server (NTRS)

    Reisel, John R.; Carter, Campbell D.; Laurendeau, Normand M.

    1992-01-01

    A summary of the spectroscopic equations necessary for prediction of the molecular transition energies and the Einstein A and B coefficients for rovibronic lines of the gamma(0,0) band of nitric oxide (NO) is presented. The calculated molecular transition energies are all within 0.57/cm of published experimental values; in addition, over 95 percent of the calculated energies give agreement with measured results within 0.25/cm. Einstein coefficients are calculated from the band A00 value and the known Hoenl-London factors and are tabulated for individual rovibronic transitions in the NO A2sigma(+)-X2Pi(0,0) band.

  1. New neutron diffraction results on magnetic properties of the cubic rare earth compounds HoP and PrX2 (X=Ru, Rh, Ir, Pt)

    NASA Astrophysics Data System (ADS)

    Fischer, P.; Hälg, W.; Kaldis, E.; Greidanus, F. J. A. M.; Buschow, K. H. J.

    1982-09-01

    Neutron diffraction studies performed on polycrystalline, NaCl type HoP in external magnetic fields yield <100> as easy directions of magnetization in the ferromagnetic state. The magnetic ordering of the MgCu2 type Laves phase systems PrX2 (X=Ru, Rh, Ir, Pt) was investigated on powdered samples by means of neutron diffraction. Simple ferromagnetic structures were observed. The determined Curie temperatures confirm bulk measurements, and the values of the ordered magnetic moments indicate crystal field effects.

  2. The cell surface protein coxsackie- and adenovirus receptor (CAR) directly associates with the Ligand-of-Numb Protein-X2 (LNX2).

    PubMed

    Mirza, Momina; Raschperger, Elisabeth; Philipson, Lennart; Pettersson, Ralf F; Sollerbrant, Kerstin

    2005-09-10

    The coxsackievirus and adenovirus receptor (CAR) is a cell surface protein that is proposed to be involved in cell-cell adhesion. Based on a yeast two-hybrid screen, co-immunoprecipitation and binding experiments, the intracellular tail of CAR was found to interact both in vivo and in vitro with the Ligand-of-Numb Protein-X2 (LNX2). The interacting domains between the two proteins were identified by truncation analyses and affinity chromatography. CAR and LNX2 protein expression in embryonic mouse tissues was analyzed by immunohistochemistry. The results suggest that CAR is a partner in a protein complex organized at specific subcellular sites by LNX2.

  3. Epitaxial Nd-doped α-(Al(1-x)Ga(x))2O3 films on sapphire for solid-state waveguide lasers.

    PubMed

    Kumaran, Raveen; Tiedje, Thomas; Webster, Scott E; Penson, Shawn; Li, Wei

    2010-11-15

    Single-crystal aluminum-gallium oxide films have been grown by molecular beam epitaxy in the corundum phase. Films of the (Al(1-x)Ga(x))(2)O(3) alloys doped with neodymium have favorable properties for solid-state waveguide lasers, including a high-thermal-conductivity sapphire substrate and a dominant emission peak in the 1090-1096 nm wavelength range. The peak position is linearly correlated to the unit cell volume, which is dependent on film composition and stress. Varying the Ga-Al alloy composition during growth will enable the fabrication of graded-index layers for tunable lasing wavelengths and low scattering losses at the interfaces.

  4. A 2x2 W-Band Reference Time-Shifted Phase-Locked Transmitter Array in 65nm CMOS Technology

    NASA Technical Reports Server (NTRS)

    Tang, Adrian; Virbila, Gabriel; Hsiao, Frank; Wu, Hao; Murphy, David; Mehdi, Imran; Siegel, P. H.; Chang, M-C. Frank

    2013-01-01

    This paper presents a complete 2x2 phased array transmitter system operating at W-band (90-95 GHz) which employs a PLL reference time-shifting approach instead of using traditional mm-wave phase shifters. PLL reference shifting enables a phased array to be distributed over multiple chips without the need for coherent mm-wave signal distribution between chips. The proposed phased array transmitter system consumes 248 mW per array element when implemented in a 65 nm CMOS technology.

  5. Luminescence behavior of Li2 Sr1-3x/2 Eux SiO4 red phosphors for LED applications.

    PubMed

    Sun, Xin-Yuan; Lin, Liang-Wu; Liu, Guang-Yao; Liu, Xin-Gen; Wu, Ai-Jin; Huang, Shi-Ming

    2014-03-01

    Red-emitting Li(2)Sr(1-3x/2)Eux SiO4 0 ≤ x ≤ 0.5) phosphors were synthesized at 900 °C in air by a solid-state reaction. The synthesized phosphors were characterized by X-ray powder diffraction, photoluminescence (PL) excitation (PLE) and PL spectra. The results from the PLE spectra suggest that the strong 394 nm excitation peak associated with the (5) L6 state of Eu(3+) ions is of significance for near ultraviolet pumped white light-emitting diodes and solid-state lighting. It is also noted that the position of the charge transfer state of Eu(3+) ions shifts towards the higher energy side (blue shift) by increasing the content of Eu(3+) ions. The predominant emissions of Eu(3+) ions under 394 nm excitation are observed at 580, 593, 614, 656 and 708 nm, which are attributed to the (5) D0 → (7)FJ (J = 0, 1, 2, 3 and 4), respectively. The PL results reveal that the optimal content of the red-emitting Li2 Sr(1-3x/2)Eux SiO4 phosphors is x = 0.475. Simulation of the white light excited by 394 nm near ultraviolet light has also been carried out for its potential white light-emitting diode applications.

  6. Special optical fibers doped with nanocrystalline holmium-yttrium titanates (HoxY1-x)2Ti2O7 for fiber-lasers

    NASA Astrophysics Data System (ADS)

    Mrázek, Jan; Kašík, Ivan; Boháček, Jan; Proboštová, Jana; Aubrecht, Jan; Podrazký, Ondřej; Cajzl, Jakub; Honzátko, Pavel

    2015-05-01

    The paper deals with the preparation and characterization of the silica optical fibers doped with nanocrystalline holmium-yttrium titanates (HoxY1-x)2Ti2O7 with optimized luminescence properties. The sol-gel approach was employed to prepare colloidal solution of (HoxY1-x)2Ti2O7 precursors. The concentration of Ho3+ ions in the compounds was varied up to x=0.4. Prepared sols were calcined at 1000 °C forming xerogels which were characterized by X-ray diffraction to confirm their structure. The xerogels were analyzed by the mean of steady-state luminescence technique to optimize the concentration of Ho3+ ions in the compound. The most intensive emission at 2050 nm was observed for the compound (Ho5Y95)2Ti2O7. Sol of the corresponding composition was soaked into the porous silica frit deposed inside the silica substrate tube which was collapsed into preform and drawn into optical fiber. Single mode optical fiber with the core diameter 12 μm and outer diameter 125 μm was prepared. Numerical aperture of prepared fiber was 0.16. The concentration of Ho3+ ions in the fiber core was 0.03 at %. Background attenuation of prepared fiber at 850 nm was smaller than 0.5 dBṡm-1.

  7. Roles of Mas-related G protein-coupled receptor X2 on mast cell-mediated host defense, pseudoallergic drug reactions, and chronic inflammatory diseases.

    PubMed

    Subramanian, Hariharan; Gupta, Kshitij; Ali, Hydar

    2016-09-01

    Mast cells (MCs), which are granulated tissue-resident cells of hematopoietic lineage, contribute to vascular homeostasis, innate/adaptive immunity, and wound healing. However, MCs are best known for their roles in allergic and inflammatory diseases, such as anaphylaxis, food allergy, rhinitis, itch, urticaria, atopic dermatitis, and asthma. In addition to the high-affinity IgE receptor (FcεRI), MCs express numerous G protein-coupled receptors (GPCRs), which are the largest group of membrane receptor proteins and the most common targets of drug therapy. Antimicrobial host defense peptides, neuropeptides, major basic protein, eosinophil peroxidase, and many US Food and Drug Administration-approved peptidergic drugs activate human MCs through a novel GPCR known as Mas-related G protein-coupled receptor X2 (MRGPRX2; formerly known as MrgX2). Unique features of MRGPRX2 that distinguish it from other GPCRs include their presence both on the plasma membrane and intracellular sites and their selective expression in MCs. In this article we review the possible roles of MRGPRX2 on host defense, drug-induced anaphylactoid reactions, neurogenic inflammation, pain, itch, and chronic inflammatory diseases, such as urticaria and asthma. We propose that host defense peptides that kill microbes directly and activate MCs through MRGPRX2 could serve as novel GPCR targets to modulate host defense against microbial infection. Furthermore, mAbs or small-molecule inhibitors of MRGPRX2 could be developed for the treatment of MC-dependent allergic and inflammatory disorders.

  8. Superconductivity, critical current density, and flux pinning in MgB2-x(SiC)x/2 superconductor after SiC nanoparticle doping

    NASA Astrophysics Data System (ADS)

    Dou, S. X.; Pan, A. V.; Zhou, S.; Ionescu, M.; Wang, X. L.; Horvat, J.; Liu, H. K.; Munroe, P. R.

    2003-08-01

    We investigated the effect of SiC nanoparticle doping on the crystal lattice structure, critical temperature Tc, critical current density Jc, and flux pinning in MgB2 superconductor. A series of MgB2-x(SiC)x/2 samples with x=0-1.0 were fabricated using an in situ reaction process. The contraction of the lattice and depression of Tc with increasing SiC doping level remained rather small most likely due to the counterbalancing effect of Si and C co-doping. The high level Si and C co-doping allowed the creation of intragrain defects and highly dispersed nanoinclusions within the grains which can act as effective pinning centers for vortices, improving Jc behavior as a function of the applied magnetic field. The enhanced pinning is mainly attributable to the substitution-induced defects and local structure fluctuations within grains. A pinning mechanism is proposed to account for different contributions of different defects in MgB2-x(SiC)x/2 superconductors.

  9. Infrared vacuum-ultraviolet laser pulsed field ionization-photoelectron study of CH3Br+ (X(2)E(3/2)).

    PubMed

    Xing, X; Wang, P; Reed, B; Baek, S-J; Ng, C Y

    2008-10-02

    By preparing methyl bromide (CH3Br) in selected rotational levels of the CH3Br(X(1)A1; v1 = 1) state with infrared (IR) laser excitation prior to vacuum-ultraviolet (VUV) laser pulsed field ionization-photoelectron (PFI-PE) measurements, we have observed rotationally resolved photoionization transitions to the CH3Br(+)(X(2)E(3/2); v1(+) = 1) state, where v1 and v1(+) are the symmetric C-H stretching vibrational mode for the neutral and cation, respectively. The VUV-PFI-PE origin band for CH3Br(+)(X(2)E(3/2)) has also been measured. The simulation of these IR-VUV-PFI-PE and VUV-PFI-PE spectra have allowed the determination of the v1(+) vibrational frequency (2901.8 +/- 0.5 cm(-1)) and the ionization energies of the origin band (85 028.3 +/- 0.5 cm(-1)) and the v1(+) = 1 <-- v1 = 1 band (84 957.9 +/- 0.5 cm(-1)).

  10. ON THE DYNAMICS OF ULTRA COMPACT X-RAY BINARIES: 4U 1850-087, 4U 0513-40, AND M15 X-2

    SciTech Connect

    Prodan, Snezana; Murray, Norman

    2015-01-10

    In this work, we extend our dynamical study of ultra compact X-ray binaries (UCXB) 4U 1820-30 from Prodan and Murray to three more UCXBs in globular clusters: 4U 1850-087, 4U 0513-40, and M15 X-2. These three UCXBs have orbital periods ≲ 20 minutes. Two of them, 4U 1850-087 and 4U 0513-40, have suspected luminosity variations of the order of ∼1 yr. There is insufficient observational data to make any statements regarding the long periodicity in the light curve of M15 X-2 at this point. The properties of these three systems are quite similar to 4U 1820-30, which prompt us to model their dynamics in the same manner. As in the case of 4U 1820-30, we interpret the suspected long periods as the period of small oscillations around a stable fixed point in the Kozai resonance. We provide a lower limit on the tidal dissipation factor Q, which is in agreement with results obtained for the case of 4U 1820-30.

  11. Two-dimensional self-organization of an ordered Au silicide nanowire network on a Si(110)-16 x 2 surface.

    PubMed

    Hong, Ie-Hong; Yen, Shang-Chieh; Lin, Fu-Shiang

    2009-08-17

    A well-ordered two-dimensional (2D) network consisting of two crossed Au silicide nanowire (NW) arrays is self-organized on a Si(110)-16 x 2 surface by the direct-current heating of approximately 1.5 monolayers of Au on the surface at 1100 K. Such a highly regular crossbar nanomesh exhibits both a perfect long-range spatial order and a high integration density over a mesoscopic area, and these two self-ordering crossed arrays of parallel-aligned NWs have distinctly different sizes and conductivities. NWs are fabricated with widths and pitches as small as approximately 2 and approximately 5 nm, respectively. The difference in the conductivities of two crossed-NW arrays opens up the possibility for their utilization in nanodevices of crossbar architecture. Scanning tunneling microscopy/spectroscopy studies show that the 2D self-organization of this perfect Au silicide nanomesh can be achieved through two different directional electromigrations of Au silicide NWs along different orientations of two nonorthogonal 16 x 2 domains, which are driven by the electrical field of direct-current heating. Prospects for this Au silicide nanomesh are also discussed.

  12. Diamagnetic Ru(2+) in Na2La2Ti2RuO10-x (0 < x < 2): A Series of Complex Oxides Prepared by Topochemical Reduction.

    PubMed

    Pratt, Jacob A; Shepherd, Ashley M; Hayward, Michael A

    2015-11-16

    Reaction of the n = 3 Ruddlesden-Popper phase Na2La2Ti2RuO10 with a 5% H2/95% N2 atmosphere between 300 and 900 °C leads to the formation of phases of composition Na2La2Ti2RuO10-x (0 < x < 2) via topochemical reduction. Magnetization data collected from Na2La2Ti2RuO10-x samples in the range 0 < x < 1 show a rapid decline in susceptibility with increasing x, consistent with the conversion of S = 1, Ru(4+) centers at x = 0 to S = 0, Ru(2+) centers at x = 1. We believe this is the first report of diamagnetic Ru(2+) centers in an extended oxide phase. Further reduction of Na2La2Ti2RuO9 leads to the reduction of Ti(4+) to Ti(3+); however, Na2La2Ti2RuO10-x samples in the range 1 < x < 2 exhibit only a very weak paramagnetic response. Given the highly insulating nature of the phases, this suggests the electrons added on reduction of titanium are paired within a local Ti-Ti bonding network in a manner analogous to that observed for TinO2n-1 phases.

  13. Analysis of the Rotational Structure of ˜{B}^2A' ← ˜{X}^2A' Transition of Isopropoxy Radical: Isolated State vs. Coupled States Model

    NASA Astrophysics Data System (ADS)

    Melnik, Dmitry G.; Miller, Terry A.; Liu, Jinjun

    2013-06-01

    Isopropoxy radicals are reactive intermediates in atmospheric and combustion chemistry. From the theoretical point of view, they represent an extreme case of ``isotopically'' substituted methoxy radicals with two methyl groups playing the role of heavy hydrogen isotopes. Previously the rotationally resolved spectra of ˜{B}^2A' ← ˜{X}^2A' electronic transition were successfully analyzed using a simple effective rotational Hamiltonian of the isolated ˜{X} and ˜{B} states. However, a number of the experimentally determined parameters appeared dramatically inconsistent with the quantum chemistry calculations and theoretical predictions based on the symmetry arguments. Recently, we analyzed these spectra using a coupled two state model, which explicitly includes interactions between the ground ˜{X}^2A' state and low-lying excited ˜{A}^2A^'' state. In this presentation we will discuss the results of this analysis and compare the parameters of both models and their physical significance. D. G. Melnik, T. A. Miller and J. Liu, TI15, 67^{th Molecular Spectroscopy Symposium}, Columbus, 2012

  14. Computer-aided design of AD 2 X 2 intermetallics with a ThCr2Si2-type of crystal structure

    NASA Astrophysics Data System (ADS)

    Kiselyova, N. N.; Sen'ko, O. V.; Kropotov, D. A.; Dokukin, A. A.

    2012-07-01

    Several hundred new AD 2 X 2 ( A and D are various elements; X = B, Al, Si, P, Ga, Ge, As, Sn, Sb) compounds are computer designed, and the types of their crystal structures under normal conditions are predicted. A special software package is used for the calculations; it includes a set of databases on the properties of inorganic substances and materials and a system for an analysis of these data, which is based on precedent pattern recognition methods. Only data on the properties of the elements entering into the compound compositions are used to predict unknown compounds. The parameters of elements in positions A and D (i.e., the Mendeleev-Pettifor numbers, the pseudopotential radii, and their algebraic functions) are found to mainly determine the possibility of formation of AD 2 X 2 compounds and the type of their crystal structures. New compounds of AD 2B2, AD 2Ga2, and AD 2Sn2 compositions are predicted for the first time.

  15. Metal-nonmetal transition in the sphalerite-type solid solution [ZnSnSb{sub 2}]{sub 1-x}[2(InSb)]{sub x}

    SciTech Connect

    Tenga, Andreas; Javier Garcia-Garcia, F.; Wu, Yang; Newman, N.; Haeussermann, Ulrich

    2009-06-15

    Samples of the solid solution [ZnSnSb{sub 2}]{sub 1-x}[2(InSb)]{sub x} have been prepared over the whole range of composition by tin flux synthesis. The lattice parameter of the sphalerite-type average structure varies linearly between that of the end members ZnSnSb{sub 2} and InSb, a=6.2849(2) and 6.4776(15), respectively. Electron diffraction shows different kinds of structured diffuse scattering for Zn and In rich samples, respectively. The former is attributed to compositional short range ordering, the latter to thermally excited phonon modes. A metal-nonmetal transition takes place between the compositions x=0.8 and x=0.9. - Graphical abstract: Alloys of the sphalerite-type solid solution [ZnSnSb{sub 2}]{sub 1-x}[2(InSb)]{sub x} can be prepared over the whole range of composition by Sn flux synthesis. A metal-nonmetal transition takes place between the compositions x=0.8 and x=0.9.

  16. A 2A2<--X 2B1 absorption and Raman spectra of the OClO molecule: A three-dimensional time-dependent wave packet study

    NASA Astrophysics Data System (ADS)

    Sun, Zhigang; Lou, Nanquan; Nyman, Gunnar

    2005-02-01

    Time-dependent wave packet calculations of the (A 2A2←X 2B1) absorption and Raman spectra of the OClO molecule are reported. The Fourier grid Hamiltonian method in three dimensions is employed. The X 2B1 ground state ab initio potential energy surface reported by Peterson [J. Chem. Phys. 109, 8864 (1998)] is used together with his corresponding A 2A2 state surface or the revised surface of the A 2A2 state by Xie and Guo [Chem. Phys. Lett. 307, 109 (1999)]. Radau coordinates are used to describe the vibrations of a nonrotating OClO molecule. The split-operator method combined with fast Fourier transform is applied to propagate the wave function. We find that the ab initio A 2A2 potential energy surface better reproduces the detailed structures of the absorption spectrum at long wavelength, while the revised surface of the A 2A2 state, consistent with the work of Xie and Guo, better reproduces the overall shape and the energies of the vibrational levels. Both surfaces of the A 2A2 state can reasonably reproduce the experimental Raman spectra but neither does so in detail for the numerical model employed in the present work.

  17. Suppression of phase transitions at low temperature by chromium substitution in vanadium spinel Fe(V1-x Cr x )2O4.

    PubMed

    Kawaguchi, S; Ishibashi, H; Nagami, K; Kubota, Y

    2016-07-27

    Synchrotron powder diffraction, magnetization, and specific heat measurements have been used to investigate the structural and magnetic phase transitions in the spinel-type vanadate Fe(V1-x Cr x )2O4 (0.0  ⩽  x  ⩽  1.0). We observed five different transitions in our polycrystalline samples. The canted-type ferrimagnetic phase transition accompanied by the lattice distortion was suppressed by Cr substitution (x  =  0.2). Additionally, high-resolution synchrotron powder diffraction revealed that the low-temperature orthorhombic phase appears in FeV2O4 below 30 K and disappears by subtle Cr doping. In contrast, for x  ⩾  0.7, we observed a different magnetic transition of possibly conical-type ferrimagnetic ordering that did not induce significant lattice distortion at the transition temperature. We performed structural refinements for low-temperature phases and suggest that the crystal system of Fe(V1-x Cr x )2O4 at 15K is an orthorhombic lattice for all x values. In the orthorhombic phase, a unique behaviour was observed, with the lattice constants a and b approaching each other as Cr doping increased. This behaviour can be explained by the change of orbitally ordered states of the Fe(2+) ions.

  18. Suppression of phase transitions at low temperature by chromium substitution in vanadium spinel Fe(V1-x Cr x )2O4

    NASA Astrophysics Data System (ADS)

    Kawaguchi, S.; Ishibashi, H.; Nagami, K.; Kubota, Y.

    2016-07-01

    Synchrotron powder diffraction, magnetization, and specific heat measurements have been used to investigate the structural and magnetic phase transitions in the spinel-type vanadate Fe(V1-x Cr x )2O4 (0.0  ⩽  x  ⩽  1.0). We observed five different transitions in our polycrystalline samples. The canted-type ferrimagnetic phase transition accompanied by the lattice distortion was suppressed by Cr substitution (x  =  0.2). Additionally, high-resolution synchrotron powder diffraction revealed that the low-temperature orthorhombic phase appears in FeV2O4 below 30 K and disappears by subtle Cr doping. In contrast, for x  ⩾  0.7, we observed a different magnetic transition of possibly conical-type ferrimagnetic ordering that did not induce significant lattice distortion at the transition temperature. We performed structural refinements for low-temperature phases and suggest that the crystal system of Fe(V1-x Cr x )2O4 at 15K is an orthorhombic lattice for all x values. In the orthorhombic phase, a unique behaviour was observed, with the lattice constants a and b approaching each other as Cr doping increased. This behaviour can be explained by the change of orbitally ordered states of the Fe2+ ions.

  19. Structural origin of Si-2p core-level shifts from Si(100)-c[4x2] surface: A spectral x-ray photoelectron diffraction study

    SciTech Connect

    Chen, X.; Tonner, B.P.; Denlinger, J.

    1997-04-01

    The authors have performed angle-resolved x-ray photoelectron diffraction (XPD) from a Si(100)-c(4x2) surface to study the structural origin of Si-2p core-level shifts. In the experiment, the highly resolved surface Si-2p core-level spectra were measured as a fine grid of hemisphere and photon energies, using the SpectroMicroscopy Facility {open_quotes}ultraESCA{close_quotes} instrument. By carefully decomposing the spectra into several surface peaks, the authors are able to obtain surface-atom resolved XPD patterns. Using a multiple scattering analysis, they derived a detailed atomic model for the Si(100)-c(4x2) surface. In this model, the asymmetric dimers were found tilted by 11.5 plus/minus 2.0 degrees with bond length of 2.32 plus/minus 0.05{angstrom}. By matching model XPD patterns to experiment, the authors can identify which atoms in the reconstructed surface are responsible for specific photoemission lines in the 2p spectrum.

  20. Roles of MAS-related G protein coupled receptor-X2 (MRGPRX2) on mast cell-mediated host defense, pseudoallergic drug reactions and chronic inflammatory diseases

    PubMed Central

    Subramanian, Hariharan; Gupta, Kshitij; Ali, Hydar

    2016-01-01

    Mast cells (MCs), which are granulated tissue-resident cells of hematopoietic lineage, contribute to vascular homeostasis, innate/adaptive immunity and wound healing. MCs are, however, best known for their roles in allergic and inflammatory diseases such as anaphylaxis, food allergy, rhinitis, itch, urticaria, atopic dermatitis and asthma. In addition to the high affinity IgE receptor (FcεRI), MCs express numerous G protein coupled receptors (GPCRs), which are the largest group of membrane receptor proteins and are the most common targets of drug therapy. Antimicrobial host defense peptides (HDPs), neuropeptides (NPs), major basic protein (MBP), eosinophil peroxidase (EPO) and many FDA approved peptidergic drugs activate human MCs via a novel GPCR known as MAS-related G protein coupled receptor-X2 (MRGPRX2; formerly known as MrgX2). Unique features of MRGPRX2 that distinguish it from other GPCRs include their presence both on plasma membrane and intracellular sites and their selective expression in MCs. In this article, we review the possible roles of MRGPRX2 on host defense, drug-induced anaphylactoid reactions, neurogenic inflammation, pain, itch and chronic inflammatory diseases such as urticaria and asthma. We propose that HDPs that kill microbes directly and activate MCs via MRGPRX2 could serve as novel GPCR targets to modulate host defense against microbial infection. Furthermore, monoclonal antibodies or small molecule inhibitors of MRGPRX2 could be developed for the treatment of MC-dependent allergic and inflammatory disorders. PMID:27448446

  1. Electronic, Dielectric, and Plasmonic Properties of Two-Dimensional Electride Materials X2N (X=Ca, Sr): A First-Principles Study.

    PubMed

    Guan, Shan; Yang, Shengyuan A; Zhu, Liyan; Hu, Junping; Yao, Yugui

    2015-07-20

    Based on first-principles calculations, we systematically study the electronic, dielectric, and plasmonic properties of two-dimensional (2D) electride materials X2N (X=Ca, Sr). We show that both Ca2N and Sr2N are stable down to monolayer thickness. For thicknesses larger than 1-monolayer (1-ML), there are 2D anionic electron layers confined in the regions between the [X2N](+) layers. These electron layers are strongly trapped and have weak coupling between each other. As a result, for the thickness dependence of many properties such as the surface energy, work function, and dielectric function, the most dramatic change occurs when going from 1-ML to 2-ML. For both bulk and few-layer Ca2N and Sr2N, the in-plane and out-of-plane real components of their dielectric functions have different signs in an extended frequency range covering the near infrared, indicating their potential applications as indefinite media. We find that bulk Ca2N and Sr2N could support surface plasmon modes in the near infrared range. Moreover, tightly-bounded plasmon modes could exist in their few-layer structures. These modes have significantly shorter wavelengths (few tens of nanometers) compared with that of conventional noble metal materials, suggesting their great potential for plasmonic devices with much smaller dimensions.

  2. Atomic resolution noncontact atomic force and scanning tunneling microscopy of TiO2(110)-(1 x 1) and - (1 x 2): simultaneous imaging of surface structures and electronic states.

    PubMed

    Ashino, M; Sugawara, Y; Morita, S; Ishikawa, M

    2001-05-07

    We present simultaneous imaging of TiO2(110)-(1 x 1) and - (1 x 2) using noncontact atomic force microscopy (NC-AFM) and scanning tunneling microscopy (STM). The surface topography was imaged under NC-AFM feedback, while the surface electronic states were imaged by STM. The image contrasts of NC-AFM and STM were antiphase in (1 x 1) and in phase in (1 x 2). The uppermost oxygen and Ti atoms underneath were, respectively, imaged by NC-AFM and STM. The NC-AFM image contrast was close to the true surface topography in (1 x 2), but reduced in (1 x 1).

  3. Effects of Li content on the phase structure and electrical properties of lead-free (K0.46-x/2Na0.54-x/2Lix)(Nb0.76Ta0.20Sb0.04)O3 ceramics

    NASA Astrophysics Data System (ADS)

    Chang, Yunfei; Yang, Zupei; Hou, Yuting; Liu, Zonghuai; Wang, Zenglin

    2007-06-01

    Lead-free (K0.46-x/2Na0.54-x/2Lix)(Nb0.76Ta0.20Sb0.04)O3 piezoelectric ceramics were prepared by the conventional solid state sintering method without cold-isostatic pressing process. The x-ray diffraction and Raman scattering results show that the phase structure of the ceramics undergoes a transition from pseudocubic to tetragonal phase with increasing x from 0 to 0.10. Significantly enhanced electrical properties (d33=259pC/N, kp=0.42, ɛr=1653, and tan δ =0.027) were obtained in the ceramics with x =0.04 near the morphotropic phase boundary, and only the tetragonal-cubic phase transition was observed above the room temperature in the ɛr-T curve. The temperature stability of the ceramics with x =0.04 was also investigated.

  4. Aluminum Content Tunability of Structural and Optical Properties in Wide-Gap Semiconducting (AlxGa1- x)2O3

    NASA Astrophysics Data System (ADS)

    Krueger, Benjamin W.

    (AlxGa1- x)2O3 alloys have attracted renewed interest due to their potential for use in deep-ultraviolet optical devices and high-powered transistors, but realization of these technologies depends on the ability to tune the band gap and crystal phase of alloy films for specific applications. In this work, fundamental relationships between structural and optical properties of (AlxGa1-x) 2O3 were explored in a series of experiments on single-phase sintered powders produced by solution combustion synthesis, and continuous-composition-spread (CCS) thin films deposited at room temperature on silicon and sapphire by pulsed-laser deposition and post-annealed to successively higher temperatures in air, to see how crystallinity develops with alloy composition and measure the corresponding change in band gap. As the annealing temperature is raised (to a maximum of 1000°C), amorphous (AlxGa 1-x)2O3 films transition first to the metastable gamma phase, and then to the beta phase, for alloy compositions in the range 0.1 < x < 1 with the specific (am.) → gamma and gamma → beta transition temperatures increasing steadily with Al content. A different phase was identified in the Ga-rich region 0 < x < 0.1 after annealing to 400°C-800°C, tentatively assigned to a kappa/gamma mix; at higher temperatures these films also relax to the beta phase. A maximum solubility limit of x = 0.8 was found for Al in the monoclinic beta - (AlxGa 1-x)2O3 structure after sintering at 1600°C for 12 hours, followed by a transition to corundum alpha - Al2O3 above x > 0.8. Within each phase the band gap increases steadily with Al concentration, with greater bowing in the amorphous films than crystalline films, and linear variation with no bowing in 1600°C sintered powders. No discontinuity in the band gap was observed through the beta → gamma transition, but a 0.1-0.2 eV jump to lower band gap occurs when films become amorphous. (AlxGa1-x) 2O3 films were also grown on silicon and sapphire at

  5. High performace silicon 2x2 optical switch based on a thermo-optically tunable multimode interference coupler and efficient electrodes.

    PubMed

    Rosa, Álvaro; Gutiérrez, Ana; Brimont, Antoine; Griol, Amadeu; Sanchis, Pablo

    2016-01-11

    Optical switches based on tunable multimode interference (MMI) couplers can simultaneously reduce the footprint and increase the tolerance against fabrication deviations. Here, a compact 2x2 silicon switch based on a thermo-optically tunable MMI structure with a footprint of only 0.005 mm(2) is proposed and demonstrated. The MMI structure has been optimized using a silica trench acting as a thermal isolator without introducing any substantial loss penalty or crosstalk degradation. Furthermore, the electrodes performance have significantly been improved via engineering the heater geometry and using two metallization steps. Thereby, a drastic power consumption reduction of around 90% has been demonstrated yielding to values as low as 24.9 mW. Furthermore, very fast switching times of only 1.19 µs have also been achieved.

  6. Growth of(Fe xMg 1 - x) 2SiO 4 single crystals by the double pass floating zone method

    NASA Astrophysics Data System (ADS)

    Tsai, Tse-Lun; Markgraf, Steven A.; Higuchi, Mikio; Dieckmann, Ru¨diger

    1996-12-01

    Good quality olivine single crystals,(Fe xMg 1 - x) 2SiO 4, have been successfully grown by the floating zone method using an image furnace. The double pass floating zone method was utilized to grow crystals with uniform composition along the growth axis. Chemical analyses by electron microprobe confirmed that the crystals were homogeneous in composition along the growth direction over the entire length of the boule. The primary crystal defects observed were bubbles. Precipitates, such as iron oxide and silica-rich phases were only occasionally found in iron-rich olivine crystals. An after-heater, either active or passive, was placed just below the freezing interface to control the interface shape and reduce the thermal gradient, enabling the growth of crack-free single crystals.

  7. Effect of the solution flow rate on the in vitro bioactivity of 2.5CaO x 2SiO(2) glass.

    PubMed

    Luciani, G; Costantini, A; Silvestri, B; Cajafa, M; Colella, M; Branda, F

    2007-03-01

    A comparative study of in vitro bioactivity of 2.5CaO x 2SiO(2) glass has been carried out by soaking it in a simulated body fluid, with continuously and periodic exchange of this solution (dynamic and differential protocols). Dynamic assays were carried out at different solution flow rates, 3 mL/h, 6 mL/h, 12 mL/h, to study the influence of flow rate on glass reactivity. Glass surface was studied by Fourier transform infrared spectroscopy, scanning electron microscopy, and energy dispersive spectroscopy so as to compare the behavior in the two procedures, revealing that in both cases an apatite layer is formed on the glass surface, although there are differences on deposition rate and morphology, which are also influenced by the solution flow rate.

  8. Local atomic and electronic structures in ferromagnetic topological insulator Cr-doped (BixSb1-x) 2Te3 studied by XAFS and ab initio calculations

    NASA Astrophysics Data System (ADS)

    Liu, Zhen; Wei, Xinyuan; Wang, Jiajia; Pan, Hong; Ji, Fuhao; Ye, Mao; Yang, Zhongqin; Qiao, Shan

    2015-09-01

    The local atomic and electronic structures around the dopants in Cr-doped (BixSb1 -x )2Te3 are studied by x-ray absorption fine structure (XAFS) measurements and first-principles calculations. Both Cr and Bi are confirmed substituting Sb sites (CrSb and BiSb). The six nearest Te atoms around Cr move towards Cr and shorten the Cr-Te bond lengths to 2.76 Å and 2.77 Å for x =0.1 and x =0.2 , respectively. Importantly, we reveal the hybridization between the Sb/Te p states and Cr d states by the presence of a pre-edge peak at Cr K -absorption edge, which is also supported by our ab initio calculations. These findings provide important clues to understand the mechanism of ferromagnetic order in this system with quantum anomalous Hall effect.

  9. Crystal field splittings of PrX 2 compounds (X=Pt, Rh, Ir, Ru, Ni) studied by inelastic neutron scattering

    NASA Astrophysics Data System (ADS)

    Greidanus, F. J. A. M.; De Jongh, L. J.; Huiskamp, W. J.; Furrer, A.; Buschow, K. H. J.

    1983-01-01

    Neutron inelastic scattering experiments have been performed on polycrystalline samples of the cubic Laves phase compounds PrX 2(X=Pt, Rh, Ir, Ni). Measurements in the paramagnetic state yield LLW parameters 0.6< x<1 and W<0. In this region various levels cross at an x value 0.86 and as a consequence the electronic ground state in the paramagnetic regime is either the singlet Γ 1, or the non-magnetic doublet Γ 3. Measurements in the ferromagnetic state support these conclusions. The crystal-field parameters obtained can be used in model calculations of some macroscopic quantities, in particular the specific heat and the spontaneous magnetization. The variation of the x values in the present series of Laves phase compounds evidences the presence of a contribution by conduction electrons to the crystal field.

  10. Magnetic properties of PrX 2 compounds (X = Pt, Rh, Ru, Ir) studied by hyperfine specific heat, magnetization and neutron-diffraction measurements

    NASA Astrophysics Data System (ADS)

    Greidanus, F. J. A. M.; de Jongh, L. J.; Huiskamp, W. J.; Fischer, P.; Furrer, A.; Buschow, K. H. J.

    1983-04-01

    Magnetic ordering phenomena in rare-earth intermetallic compounds can be unravelled most advantageously in the case of simple crystallographic structure and when a combination of microscopic techniques is applied. Here we shall present the temperature and magnetic field dependence of the magnetic moment of the cubic PrX 2 compounds (X = Pt, Rh, Ru, Ir), as inferred from hyperfine specific-heat, magnetization and neutron-diffraction measurements. The results are compared with a mean-field calculation, taking crystalline electric field and bilinear (dipolar) exchange interactions into account. Adopting experimental values of the Lea, Leask and Wolf parameters x and W from inelastic neutron scattering results, we find satisfactory agreement between our magnetic data and the mean-field theory. An observed discrepancy of about 15% between the calculated and measured saturation values of the spontaneous magnetization can be explained by the presence of quadrupolar interactions.

  11. Ternary lanthanum sulfide selenides α-LaS2-xSex (0<x<2) with mixed dichalcogenide anions X22- (X=S, Se)

    NASA Astrophysics Data System (ADS)

    Bartsch, Christian; Doert, Thomas

    2012-01-01

    Mixed lanthanum sulfide selenides LaS2-xSex (0<x<2) were obtained by metathesis reactions starting from anhydrous lanthanum chloride and alkali metal polychalcogenides. The LaS2-xSex compounds crystallize in space group P21/a, no. 14, and adopt the α-LnS2 (Ln=Y, La-Lu) structure type with a pronounced site preference for the chalcogen atoms. The mixed chalcogenides form a complete miscible series with lattice parameters a=820-849 pm, b=413-425 pm and c=822-857 pm (β≈90°) following Vegard's rule. Raman signals indicate the presence of mixed X22- dianions, a species rarely evidenced in literature, besides the well known anions S22- and Se22-. The band gaps of the LaS2-xSex compounds, determined by optical spectroscopy, decrease nearly linearly with increasing amount of selenium.

  12. First-Principles Study of Antimony Doping Effects on the Iron-Based Superconductor CaFe(SbxAs1-x)2

    NASA Astrophysics Data System (ADS)

    Nagai, Yuki; Nakamura, Hiroki; Machida, Masahiko; Kuroki, Kazuhiko

    2015-09-01

    We study antimony doping effects on the iron-based superconductor CaFe(SbxAs1-x)2 by using the first-principles calculation. The calculations reveal that the substitution of a doped antimony atom into As of the chainlike As layers is more stable than that into FeAs layers. This prediction can be checked by experiments. Our results suggest that doping homologous elements into the chainlike As layers, which only exist in the novel 112 system, is responsible for rising up the critical temperature. We discuss antimony doping effects on the electronic structure. It is found that the calculated band structures with and without the antimony doping are similar to each other within our framework.

  13. Spin polarization of gapped Dirac surface states near the topological phase transition in TlBi(S(1-x)Se(x))2.

    PubMed

    Souma, S; Komatsu, M; Nomura, M; Sato, T; Takayama, A; Takahashi, T; Eto, K; Segawa, Kouji; Ando, Yoichi

    2012-11-02

    We performed systematic spin- and angle-resolved photoemission spectroscopy of TlBi(S(1-x)Se(x))(2) which undergoes a topological phase transition at x ~ 0.5. In TlBiSe(2) (x = 1.0), we revealed a helical spin texture of Dirac-cone surface states with an intrinsic in-plane spin polarization of ~0.8. The spin polarization still survives in the gapped surface states at x > 0.5, although it gradually weakens upon approaching x = 0.5 and vanishes in the nontopological phase. No evidence for the out-of-plane spin polarization was found, irrespective of x and momentum. The present results unambiguously indicate the topological origin of the gapped Dirac surface states, and also impose a constraint on models to explain the origin of mass acquisition of Dirac fermions.

  14. Chemical pressure effects on magnetism in the quantum spin liquid candidates Yb2X2O7 (X =Sn, Ti, Ge)

    NASA Astrophysics Data System (ADS)

    Dun, Z. L.; Lee, M.; Choi, E. S.; Hallas, A. M.; Wiebe, C. R.; Gardner, J. S.; Arrighi, E.; Freitas, R. S.; Arevalo-Lopez, A. M.; Attfield, J. P.; Zhou, H. D.; Cheng, J. G.

    2014-02-01

    The linear and nonlinear ac susceptibility measurements of Yb-pyrochlores, Yb2X2O7 (X =Sn, Ti, and Ge), show transitions with a ferromagnetic nature at 0.13 and 0.25 K for Yb2Sn2O7 and Yb2Ti2O7, respectively, and an antiferromagnetic ordering at 0.62 K for Yb2Ge2O7. These systematical results (i) provided information about the nature of the unconventional magnetic ground state in Yb2Ti2O7; (ii) realized a distinct antiferromagnetic ordering state in Yb2Ge2O7; and (iii) demonstrated that the application of chemical pressure through the series of Yb-pyrochlores can efficiently perturb the fragile quantum spin fluctuations of the Yb3+ ions and lead to very different magnetic ground states.

  15. Untangling the reaction dynamics of the silylidyne radical (SiH; X2Π) with acetylene (C2H2; X1Σg+)

    NASA Astrophysics Data System (ADS)

    Yang, Tao; Dangi, Beni B.; Thomas, Aaron M.; Kaiser, Ralf I.

    2016-06-01

    The chemical reaction dynamics of silylidyne (SiH; X2Π) with acetylene (C2H2; X1Σg+) were studied exploiting the crossed molecular beam approach, and compared with previous studies on D1-silylidyne with acetylene. The reaction is initiated by a barrierless addition of silylidyne to one or both carbons of acetylene leading to 1-sila-1-propene-1,3-diylidene and/or the cyclic 1-silacyclopropenyl with the former isomerizing to the latter. 1-Silacyclopropenyl eventually loses atomic hydrogen yielding silacyclopropenylidene (c-SiC2H2) in an overall exoergic reaction (experiment: -14.7 ± 8.5 kJ mol-1; theory: -13 ± 3 kJ mol-1). The enthalpy of formation for silacyclopropenylidene is determined to be 421.4 ± 9.3 kJ mol-1.

  16. Driven evolution of a constitutional dynamic library of molecular helices toward the selective generation of [2 x 2] gridlike arrays under the pressure of metal ion coordination.

    PubMed

    Giuseppone, Nicolas; Schmitt, Jean-Louis; Lehn, Jean-Marie

    2006-12-27

    Constitutional dynamics, self-assembly, and helical-folding control are brought together in the efficient Sc(OTf)3/microwave-catalyzed transimination of helical oligohydrazone strands, yielding highly diverse dynamic libraries of interconverting constituents through assembly, dissociation, and exchange of components. The transimination-type mechanism of the ScIII-promoted exchange, as well as its regioselectivity, occurring only at the extremities of the helical strands, allow one to perform directional terminal polymerization/depolymerization processes when starting with dissymmetric strands. A particular library is subsequently brought to express quantitatively [2 x 2] gridlike metallosupramolecular arrays in the presence of ZnII ions by component recombination generating the correct ligand from the dynamic set of interconverting strands. This behavior represents a process of driven evolution of a constitutional dynamic chemical system under the pressure (coordination interaction) of an external effector (metal ions).

  17. Results of the AFRSI rewaterproofing systems screening test in the NASA/Ames Research Center (ARC) 2 x 2-foot transonic wind tunnel

    NASA Technical Reports Server (NTRS)

    Marroquin, J.; Kingsland, R. B.

    1985-01-01

    An experimental investigation was conducted in the NASA/Ames Research Center 2x2-foot Transonic Wind Tunnel to evaluate two AFRSI rewaterproofing systems and to investigate films as a means of reducing blanket joint distortion. The wind tunnel wall slot configuration influenced on the flow field over the test panel was investigated; primarily using oil flow data, and resulted in a closed slot configuration to provide a satisfactory screening environment flow field for the test. Sixteen AFRSI test panels, configured to represent the test system or film, were subjected to this screening environment (a flow field of separated and reattached flow at a freestream Mach numnber of 0.65 and q = 650 or 900 psf). Each condition was held until damage to the test article was observed or 55 minutes if no damage was incurred. All objectives related to AFRSI rewaterproofing and to the use of films to stiffen the blanket fibers were achieved.

  18. Rotational energy transfer of SH(X2Π, v''=0, J''=0.5-10.5) by collision with Ar: Λ-doublet resolved transition propensity.

    PubMed

    Tsai, Po-Yu; Lin, King-Chuen

    2012-01-16

    The behavior of Λ-doublet resolved rotational energy transfer (RET) by Ar collisions within the SH(X(2)Π, v''=0) state is characterized. The matrix elements of terms in the interaction potential responsible for interference effects are calculated to explain the propensity rules for collision-induced transitions within and between spin-orbit manifolds. In this manner, the physical mechanisms responsible for the F(1)-F(1), F(2)-F(2), and F(1)-F(2) transitions may be reasonably identified. As collision energy increases, the propensity for collisional population of the final e or f level is replaced by the e/f-conserving propensity. Such a change in propensity rule can be predicted in terms of energy sudden approximation at high J limit for the pure Hund's case scheme.

  19. Morphotropic phase boundary, weak ferromagnetism, and strong piezoelectric effect in Bi{sub 1-x}Ca{sub x}FeO{sub 3-x/2} compounds

    SciTech Connect

    Troyanchuk, I. O. Karpinsky, D. V.; Bushinsky, M. V.; Kovetskaya, M. I.; Efimova, E. A.; Eremenko, V. V.

    2011-12-15

    The crystal structure and magnetic and piezoelectric properties of the Bi{sub 1-x}Ca{sub x}FeO{sub 3-x/2} system (x {<=} 0.2) are studied. The crystal-structure transformations occur in the following sequence: rhombohedral (R3c) polar phase (x {<=} 0.06) {yields} modulated polar phase (0.07 {<=} x {<=} 0.1) {yields} modulated antipolar phase (0.11 {<=} x {<=} 0.14). The modulated polar and antipolar phases are weakly ferromagnetic with a spontaneous magnetization of 0.25 G cm{sup 3}/g (x = 0.09). In the polar weak ferromagnet with x = 0.09, a uniform piezoelec- tric response 2.5 times stronger than in the initial BiFeO{sub 3} compound is detected by the piezoelectric force microscopy.

  20. Crystal structure and magnetic properties of new Fe3Co3 X 2 (X  =  Ti, Nb) intermetallic compounds

    NASA Astrophysics Data System (ADS)

    Zhang, Jie; Nguyen, Manh Cuong; Balasubramanian, Balamurugan; Das, Bhaskar; Sellmyer, David J.; Zeng, Zhi; Ho, Kai-Ming; Wang, Cai-Zhuang

    2016-05-01

    The structure and magnetic properties of new magnetic Fe3Co3 X 2 (X  =  Ti, Nb) compounds are studied by genetic algorithm, first-principles density functional theory (DFT) calculations, and experiments. The atomic structure of a hexagonal structure with P-6m2 symmetry is determined. The simulated x-ray diffraction (XRD) spectra of the P-6m2 structures agree well with experimental XRD data for both Fe3Co3Ti2 and Fe3Co3Nb2. The magnetic properties of these structures as well as the effect of the disorder of Fe and Co on their magnetic properties are also investigated. The magnetocrystalline anisotropy energy is found to be very sensitive to the occupancy disorder between Fe and Co.

  1. Collisional rate coefficients of SiH(X2 Π) open-shell molecule induced by its collision with He(1 S)

    NASA Astrophysics Data System (ADS)

    Tchakoua, T.; Nsangou, M.; Motapon, O.

    2017-01-01

    New adiabatic potential energy surfaces (PESs) for 2A‧ and 2A″ states of SiH(X2 Π)-He(1 S) complex have been calculated at the restricted coupled cluster level of theory including single, double and triple excitation [RCCSD(T)]. The RKHS method was used for the analytic fit of these PESs. The resulting PESs were employed later in the close-coupling approach for the computation of the inelastic integral cross sections which take into account the fine-structure of the SiH radical. Scattering calculations, are done on a grid of collision energies large enough to ensure converged state-to-state rate coefficients for the temperature ranging from 8 K up to 300 K.

  2. The structural, electronic and optical properties of CuGa (SexS1-x)2 compounds from first-principle calculations

    NASA Astrophysics Data System (ADS)

    Shen, Ke-Sheng; Jiao, Zhao-Yong; Zhang, Xian-Zhou; Huang, Xiao-Fen

    2013-11-01

    The structural, electronic and optical properties of the CuGa (Se x S1- x )2 alloy system have been performed systematic within generalized gradient approximation (GGA) of Perdew-Burke-Ernzerhof (PBE) implemented in the Cambridge serial total energy package (CASTEP) code. We calculate the lattice parameters and axial ratio, which agree with the experimental values quite well. The anion position parameters u are also predicted using the model of Abrahams and Bernstein and the results seem to be trustworthy as compared to the experimental and theoretical values. The total and part density of states are discussed which follow the common rule of the conventional semiconductors. The static dielectric tenser and refractive index are summarized compared with available experimental and theoretical values. Also the spectra of the dielectric functions, refractive index, reflectance, absorption coefficient and real parts of photoconductivity are discussed in details.

  3. The Conterminous United States Mineral Assessment Program; background information to accompany folio of geologic, geochemical, remote sensing, and mineral resources maps of the Butte 1 degree x 2 degrees Quadrangle, Montana

    USGS Publications Warehouse

    Elliott, James E.; Trautwein, C.M.; Wallace, C.A.; Lee, G.K.; Rowan, L.C.; Hanna, W.F.

    1993-01-01

    The Butte 1?x2 ? quadrangle in west-central Montana was investigated as part of the U.S. Geological Survey's Conterminous United States Mineral Assessment Program (CUSMAP). These investigations included geologic mapping, geochemical surveys, gravity and aeromagnetic surveys, examinations of mineral deposits, and specialized geochronologic and remote-sensing studies. The data collected during these studies were compiled, combined with available published and unpublished data, analyzed, and used in a mineral-resource assessment of the quadrangle. The results, including data, interpretations, and mineral-resource assessments for nine types of mineral deposits, are published separately as a folio of maps. These maps are accompanied by figures, tables, and explanatory text. This circular provides background information on the Butte quadrangle, summarizes the studies and published maps, and lists a selected bibliography of references pertinent to the geology, geochemistry, geophysics, and mineral resources of the quadrangle. The Butte quadrangle, which includes the world-famous Butte mining district, has a long history of mineral production. Many mining districts within the quadrangle have produced large quantities of many commodities; the most important in dollar value of production were copper, gold, silver, lead, zinc, manganese, molybdenum, and phosphate. At present, mines at several locations produce copper, molybdenum, gold, silver, lead, zinc, and phosphate. Exploration, mainly for gold, has indicated the presence of other mineral deposits that may be exploited in the future. The results of the investigations by the U.S. Geological Survey indicate that many areas of the quadrangle are highly favorable for the occurrence of additional undiscovered resources of gold, silver, copper, molybdenum, tungsten, and other metals in several deposit types.

  4. Vascular Endothelial Cells Mediate Mechanical Stimulation-Induced Enhancement of Endothelin Hyperalgesia via Activation of P2X2/3 Receptors on Nociceptors

    PubMed Central

    Joseph, Elizabeth K.; Green, Paul G.; Bogen, Oliver; Alvarez, Pedro; Levine, Jon D.

    2013-01-01

    Endothelin-1 (ET-1) is unique amongst a broad range of hyperalgesic agents in that it induces hyperalgesia in rats that is markedly enhanced by repeated mechanical stimulation at the site of administration. Antagonists to the ET-1 receptors, ETA and ETB, attenuated both initial as well as stimulation-induced enhancement of hyperalgesia (SIEH) by endothelin. However, administering antisense oligodeoxynucleotide to attenuate ETA receptor expression on nociceptors attenuated ET-1 hyperalgesia, but had no effect on SIEH suggesting that this is mediated via a non-neuronal cell. Since vascular endothelial cells are both stretch-sensitive and express ETA and ETB receptors, we tested the hypothesis that SIEH is dependent on endothelial cells by impairing vascular endothelial function with octoxynol-9 administration; this procedure eliminated SIEH without attenuating ET-1 hyperalgesia. A role for protein kinase C epsilon (PKCε), a second messenger implicated in the induction and maintenance of chronic pain, was explored. Intrathecal antisense for PKCε did not inhibit either ET-1 hyperalgesia or SIEH, suggesting no role for neuronal PKCε; however, administration of a PKCε inhibitor at the site of testing selectively attenuated SIEH. Compatible with endothelial cells releasing ATP in response to mechanical stimulation, P2X2/3 receptor antagonists eliminated SIEH. The endothelium also appears to contribute to hyperalgesia in two ergonomic pain models (eccentric exercise and hind limb vibration) and in model of endometriosis. We propose that SIEH is produced by an effect of ET-1 on vascular endothelial cells, sensitizing its release of ATP in response to mechanical stimulation; ATP in turn acts at the nociceptor P2X2/3 receptor. PMID:23407944

  5. Photoluminescence of A- and B-site Eu3+-substituted (SrxBa1-x)2CaWyMo1-yO6 phosphors

    NASA Astrophysics Data System (ADS)

    Sletnes, M.; Lindgren, M.; Valmalette, J. C.; Wagner, N. P.; Grande, T.; Einarsrud, M.-A.

    2016-05-01

    The photoluminescence of two series of A- and B-site Eu3+ substituted (SrxBa1-x)2CaWyMo1-yO6 double perovskite phosphor materials, (SrxBa1-x)1.96Eu0.02K0.02CaWyMo1-yO6 and (SrxBa1-x)2Ca0.96Eu0.02Li0.02WyMo1-yO6 (x and y=0, 0.25, 0.50, 0.75, and 1), were studied systematically as a function of stoichiometry and crystal structure. The Eu3+ lattice sites controlled by co-doping with either K or Li were confirmed by Raman spectroscopy. The variation in integrated emission intensity and emission colour over the experimental matrix was examined using statistical tools, and the observed trends were rationalized based on the physical and electronic structure of the phosphors. Phosphors with Eu on B-site with maximum Sr content had remarkably higher emission intensities than all other materials, but the emission was more orange than red due to domination of the 5D0-7F1 (595 nm) transition of Eu3+. The relative intensities of the 5D0-7F2 (615 nm) and 5D0-7F1 transitions of Eu3+, and thus the red-shift of the emission, decreased linearly with increasing Sr content in the A-site Eu-substituted phosphors, and reached a maximum for Sr1.96Eu0.02K0.02CaW0.25Mo0.75O6. A maximum external quantum efficiency of 17% was obtained for the phosphor Sr2Ca0.7Eu0.15Li0.15W0.5Mo0.5O6 with Eu on B-site.

  6. Electronic structure and thermoelectric properties of (Mg2X)2 / (Mg2Y)2 (X, Y = Si, Ge, Sn) superlattices from first-principle calculations

    NASA Astrophysics Data System (ADS)

    Guo, San-Dong

    2016-05-01

    To identify thermoelectric materials containing abundant, low-cost and non-toxic elements, we have studied the electronic structures and thermoelectric properties of (Mg2X)2/ (Mg2Y)2 (X, Y = Si, Ge, Sn) superlattices with state-of-the-art first-principles calculations using a modified Becke and Johnson (mBJ) exchange potential. Our results show that (Mg2Ge)2/ (Mg2Sn)2 and (Mg2Si)2/ (Mg2Sn)2 are semi-metals using mBJ plus spin-orbit coupling (mBJ + SOC), while (Mg2Si)2/ (Mg2Ge)2 is predicted to be a direct-gap semiconductor with a mBJ gap value of 0.46 eV and mBJ + SOC gap value of 0.44 eV. Thermoelectric properties are predicted by through solving the Boltzmann transport equations within the constant scattering time approximation. It is found that (Mg2Si)2/ (Mg2Ge)2 has a larger Seebeck coefficient and power factor than (Mg2Ge)2/ (Mg2Sn)2 and (Mg2Si)2/ (Mg2Sn)2 for both p-type and n-type doping. The detrimental influence of SOC on the power factor of p-type (Mg2X)2/ (Mg2Y)2 (X, Y = Si, Ge, Sn) is analyzed as a function of the carrier concentration, but there is a negligible SOC effect for n-type. These results can be explained by the influence of SOC on their valence and conduction bands near the Fermi level.

  7. The influence of the X atoms and Al 3p occupied states in AlTiX2(X=Fe,Cu,Co,Ni) intermetallics

    NASA Astrophysics Data System (ADS)

    Fu, Hongzhi; Chen, Dong; Cheng, Xinlu; Gao, Tao; Yang, Xiangdong

    2007-01-01

    The electronic structures of the ternary (Heusler) L21-phase compounds AlTiX2(X=Fe,Cu,Co,Ni) are calculated by first-principles using full potential linearized augmented plane wave (FLAPW) method with the generalized gradient approximation (GGA). The ab initio results are analyzed with a simplified model for Al-based compounds containing transition metal (TM) atoms. The results show that the total density of state (DOS) depends strongly on the positions of TM atoms, and the TM d DOS not only connects with the pseudo-gap which is the indication of the stability of the intermetallic ternary Hume-Rothery (H-R) alloys, but also plays a crucial role in hybridization with other element valence electrons. However, the Al 3s states are repelled far away from the Fermi energy in all studied samples, and the Al 3d states are far more extended-like in the character than the d states. Furthermore, the total DOSs in all the studied samples are modulated by Al 3p states and the Al 3p states are more sensitive than d states to change in the electronic interactions. Then, the Al 3p is also responsible for the major part of the H-R stability of the intermetallic compounds which we have concerned with here. Indeed, the DOSs of the studied alloys show a pseudo-gap near the Fermi level, commonly attributed to the H-R phenomenon. Especially, the AlCu2Ti has more particular flat total DOS than the other AlTiX2 alloys (X=Fe,Co,Ni), which shows the so-called half-metallic behavior or poor metallic character.

  8. Rotationally-Resolved High-Resolution Laser Spectroscopy of the B 2E' ← X 2A2' Transition of 14NO3 Radical

    NASA Astrophysics Data System (ADS)

    Kasahara, Shunji; Tada, Kohei; Ishiwata, Takashi; Hirota, Eizi

    2014-06-01

    Rotationally-resolved high-resolution fluorescence excitation spectra and the Zeeman effects of the 662 nm band, which is called as the 0-0 band of the B 2E' ← X 2A2' electronic transition, of 14NO3 have been observed. Sub-Doppler excitation spectra were measured by crossing a single-mode laser beam perpendicular to a collimated radical beam, which was formed by the heat decomposition of 14N2O5; 14N2O5 → 14NO3 + 14NO2. The typical linewidth was 30 MHz and the absolute wavenumber was calibrated with accuracy 0.0001 cm-1 by measurement of the Doppler-free saturation spectrum of iodine molecule and fringe pattern of the stabilized etalon. In the observed spectra, only the rotational line pairs from the X 2A2'(v"=0, K"=0, N"=1, F1 and F2) levels are assigned, but the other rotational lines were not found yet. In this work, we expanded the measurement of the Zeeman splittings for the other rotational lines, which are predicted their position by using the combination differences calculated from the reported molecular constants. From the observed Zeeman patterns, we have assigned unambiguously several transition lines for the 0-0 band. Additionally, we have measured the rotationally-resolved high-resolution spectra of vibrational excited levels of the B 2E' state, which lies 770 cm-1 and 948 cm-1 above the 0-0 band, and found many tiny rotational lines in these vibronic bands. K. Tada, W. Kashihara, S. Kasahara, M. Baba, T. Ishiwata, and E. Hirota, The 68th OSU Symposium, WJ04 (2013). R. Fujimori, N. Shimiza, J. Tang, T. Ishiwata, and K. Kawaguchi, J. Mol. Spectrosc., 283, 10 (2013).

  9. Maps showing interpretation, using R-mode factor analysis, of trace-element abundances in heavy-mineral concentrate samples, Delta 1° x 2° Quadrangle, Utah

    USGS Publications Warehouse

    Zimbelman, David R.

    1994-01-01

    A set of heavy-mineral concentrate data for the Delta 1° x 2° quadrangle, Utah Conterminous U.S. Mineral Assessment Program (CUSMAP) project was compiled from results of analyses of samples collected during the National Uranium Resource Evaluation Program (SURE), as well as results obtained from samples collected more recently by the USGS. Data results, sampling methods, and analytical methods are provided in Abrogast and others, 1993; 1990; 1988a; 1988b). A similar report, discussing results obtained from stream-sediment samples, is presented in Zimbelman (1993a). The Delta 1° x 2° quadrangle, Utah (figure 1) contains a variety of hydrothermal mineral deposit types, including porphyry-, vein-, replacement-, and Carlin-type deposits. These deposit types have been worked for commodities including gold, silver, beryllium, uranium, lead, zinc, copper, manganese, and cadmium (Lindsey, 1977; Morris and Mogensen, 1978; Zimbelman and others, 1990; Zimbelman and others, 1988). Heavy-mineral concentrate and stream-sediment samples derived from these hydrothermally altered rocks typically contain many geochemical anomalies (for example, see Zimbelman 1993b, c, d). Element associations characterizing lithology and hydrothermal mineral deposits can be distinguished using R-mode factor analysis. This tool often is useful in reconnaissance-scale surveys where sample anomalies are often weak. and single-element distributions may not help to delineate targets. R-mode factors analysis can help identify geologic trends and areas most likely to contain the mineral deposits. R-mode factor analysis was performed on a data set of results of analyses for 19 elements in 643 samples and produced a six-factor model. These six factors represent the geochemical contributions to the data set provided by lithologic and mineralization processes, The distribution of samples that contain high scores for mineralization-related factors is widespread in the Delta quadrangle. These sample sites

  10. Crystal structure, phase transition and conductivity study of two new organic - inorganic hybrids: [(CH2)7(NH3)2]X2, X = Cl/Br

    NASA Astrophysics Data System (ADS)

    Mostafa, Mohga Farid; El-khiyami, Shimaa Said; Abd-Elal, Seham Kamal

    2017-01-01

    Two hybrids 1,7-heptanediammonium di-halide, [(C7H20N2]X2,X = Cl/Br crystallize in monoclinic P21/c, Z = 4. [(C7H20N2]Cl2: a = 4.7838 (2) Å, b = 16.9879 (8) Å, c = 13.9476 (8) Å, β = 97.773 (2)°, V = 1203.58(10) Å3, D = 1.137 g/cm3, λ = 0.71073 Å, R = 0.052 for 1055 reflections with I > 2σ(I), T = 298(2) K. [(C7H20N2]Br2: a = 4.7952 (10) Å, b = 16.9740 (5) Å, c = 13.9281 (5) Å, β = 97.793 (2)°, V = 1203.83(6) Å3, D = 1.612 g/cm3, λ = 0.71073 Å, R = 0.03 for 1959 reflections with I > 2σ(I) T = 298(2) K. Asymmetric unit cell of [(C7H20N2]X2,X = Cl/Br, each consist of one heptane-1,7-diammonium cation and two halide anions. The organic hydrocarbon layers pack in a stacked herring-bone manner, hydrogen bonded to the halide ions. Lattice potential energy is 1568.59 kJ/mol and 1560.78 kJ/mol, and cation molar volumes are 0.295 nm3 and 0.300 nm3 for chloride and bromide respectively. DTA confirmed chain melting transitions for both hybrids below T ∼ 340 K. Dielectric and ac conductivity measurements (290 < T K < 410; 0.080 < f kHz<100) indicated higher conductivity and activation energy of bromide for T > 340 K. Cross over from Jonscher's universal dielectric response at low temperatures T < 340 K to super-linear power law for T > 340 K is observed. At high temperatures halide ion hopping in accordance with the jump relaxation model prevails.

  11. Hyperfine interactions and electric dipole moments in the [16.0]1.5(v = 6), [16.0]3.5(v = 7), and X2Δ(5/2) states of iridium monosilicide, IrSi.

    PubMed

    Le, Anh; Steimle, Timothy C; Morse, Michael D; Garcia, Maria A; Cheng, Lan; Stanton, John F

    2013-12-19

    The (6,0)[16.0]1.5-X(2)Δ(5/2) and (7,0)[16.0]3.5-X(2)Δ(5/2) bands of IrSi have been recorded using high-resolution laser-induced fluorescence spectroscopy. The field-free spectra of the (191)IrSi and (193)IrSi isotopologues were modeled to generate a set of fine, magnetic hyperfine, and nuclear quadrupole hyperfine parameters for the X(2)Δ(5/2)(v = 0), [16.0]1.5(v = 6), and [16.0]3.5 (v = 7) states. The observed optical Stark shifts for the (193)IrSi and (191)IrSi isotopologues were analyzed to produce the permanent electric dipole moments, μ(el), of -0.414(6) D and 0.782(6) D for the X(2)Δ(5/2) and [16.0]1.5 (v = 6) states, respectively. Properties of the X(2)Δ(5/2) state computed using relativistic coupled-cluster methods clearly indicate that electron correlation plays an essential role. Specifically, inclusion of correlation changes the sign of the dipole moment and is essential for achieving good accuracy for the nuclear quadrupole coupling parameter eQq0.

  12. Optical investigation of the quasi-two-dimensional Mott system Ca_2-xSr_xRuO4 (0.0<= x<= 2.0)

    NASA Astrophysics Data System (ADS)

    Lee, J. S.; Noh, T. W.; Lee, Y. S.; Oh, S.-J.; Nakatsuji, S.; Maeno, Y.

    2002-03-01

    The doping and temperature dependent optical conductivity spectra σ (ω ) in the ab-plane of the quasi-two-dimensional system Ca_2-xSr_xRuO4 (0.0<= x<= 2.0) were investigated. For all over the metallic doping concentration of x>= 0.2, the σ (ω ) show features of the Mott-Hubbard system. However, the insulating spectra of x=0.00 and 0.06 show an unusual two-peak structure around 1.0 and 2.0 eV. From the systematic changes with doping, it was found that both excitations have the correlation-induced Ru 4 d characters. Interestingly, for the x=0.06 sample, softening of the streching phonon mode and strong spectral weight redistribution between these two peaks were observed with decreasing temperature. These could be understood by the orbital occupancy changes with the RuO6 octahedral flattening. Possible connections to the critical behaviors of the specific heat and susceptibility at x=0.5 will be also discussed.

  13. Synthesis, spectral, X-ray single structure, DFT calculations and antimicrobial activities of [Co(II)X2 (dmphen)] (X = Br and SCN-)

    NASA Astrophysics Data System (ADS)

    Al-Noaimi, Mousa; Awwadi, Firas F.; Haddad, Salim F.; Talib, Wamidh H.; Jodeh, Shehdeh; Radi, Smaail; Ben Hadda, Taibi; Abdoh, Muneer; Naveen, S.; Lokanath, N. K.; Warad, Ismail

    2015-04-01

    Two tetrahedral mononuclear complexes with a general formula [CoX2(dmphen)](1-2) (where dmphen is 2,9-dimethyl-1,10-phenanthroline and 1 (X = Br), 2 (X = NCS)) have been synthesized. These complexes are characterized by elemental analysis, IR, UV-visible, TG/DTA and by X-ray diffraction. The calculated electrostatic potential surface of 2 has shown that the electrostatic potential values around sulfur atom is anistropically distributed; the potential values along C-S bond is less negative than the corresponding values in the π-region of S atom. This agrees with the observed geometrical arrangement of C-H⋯S-C hydrogen bonding interactions, the avg. of H⋯S-C angle is 81°. Antimicrobial properties of cobalt(II) complexes was also assessed. Cobalt complexes exhibited significant antibacterial activity against different gram negative and positive human pathogens. The absorption spectrum of these complexes in acetone was modeled by time-dependent density functional theory (TD-DFT).

  14. Effects of Sb Content (x) on (Bi(1-x)Sb(x))2Te3 Thermoelectric Thin Film Deposited by Effusion Cell Evaporator.

    PubMed

    Yong, Ho; Na, Sekwon; Gang, Jun-Gu; Jeon, Seong-Jae; Hyun, Seungmin; Lee, Hoo-Jeong

    2015-10-01

    This paper investigates the effects of the Sb content (x) on (Bi(1-x)Sb(x))2Te3 thermoelectric films with x changing widely from 0 (Sb2Te3) to 1 (Bi2Te3). First, the XRD analysis discloses that with the Sb content (x) increasing, the phase changed gradually from Bi2Te3 to Sb2Te3 as Sb atoms replaced substitutionally Bi atoms. Further microstructure analysis reveals that an extensive grain growth occurred during post-annealing for the samples with high Sb contents. According to the measurement of electrical and thermoelectric properties, the polarity of the charge carrier and Seebeck coefficient switched n-type to p-type in the range of x = 0.45~0.63. For the n-type samples, the power factor is highest when x = 0.18 around 46.01 μW/K(2) whereas Sb2Te3, for the p-type samples, shows the highest value, 62.48 μW/K(2)cm.

  15. Search for the OH (X(2)Pi) Meinel band emission in meteors as a tracer of mineral water in comets: detection of N(2)(+) (A-X)

    NASA Technical Reports Server (NTRS)

    Jenniskens, Peter; Laux, Christophe O.

    2004-01-01

    We report the discovery of the N(2)(+) A-X Meinel band in the 780-840 nm meteor emission from two Leonid meteoroids that were ejected less than 1000 years ago by comet 55P/Tempel-Tuttle. Our analysis indicates that the N(2)(+) molecule is at least an order of magnitude less abundant than expected, possibly as a result of charge transfer reactions with meteoric metal atoms. This new band was found while searching for rovibrational transitions in the X(2)Pi electronic ground state of OH (the OH Meinel band), a potential tracer of water bound to minerals in cometary matter. The electronic A-X transition of OH has been identified in other Leonid meteors. We did not detect this OH Meinel band, which implies that the excited A state is not populated by thermal excitation but by a mechanism that directly produces OH in low vibrational levels of the excited A(2)Sigma state. Ultraviolet dissociation of atmospheric or meteoric water vapor is such a mechanism, as is the possible combustion of meteoric organics.

  16. Cluster perturbation theory in Hubbard model exactly taking into account the short-range magnetic order in 2 x 2 cluster

    SciTech Connect

    Nikolaev, S. V. Ovchinnikov, S. G.

    2010-10-15

    The cluster perturbation theory is presented in the 2D Hubbard model constructed using X operators in the Hubbard-I approximation. The short-range magnetic order is taken into account by dividing the entire lattice into individual 2 x 2 clusters and solving the eigenvalue problem in an individual cluster using exact diagonalization taking into account all excited levels. The case of half-filling taking into account jumps between nearest neighbors is considered. As a result of numerical solution, a shadow zone is discovered in the quasiparticle spectrum. It is also found that a gap in the density of states in the quasiparticle spectrum at zero temperature exists for indefinitely small values of Coulomb repulsion parameter U and increases with this parameter. It is found that the presence of this gap in the spectrum is due to the formation of a short-range antiferromagnetic order. An analysis of the temperature evolution of the density of states shows that the metal-insulator transition occurs continuously. The existence of two characteristic energy scales at finite temperatures is demonstrated, the larger scale is associated with the formation of a pseudogap in the vicinity of the Fermi level, and the smaller scale is associated with the metal-insulator transition temperature. A peak in the density of states at the Fermi level, which is predicted in the dynamic mean field theory in the vicinity of the metal-insulator transition, is not observed.

  17. A first-principles study of elastic, magnetic, and structural properties of PrX2 (X=Fe, Mn, Co) compounds

    NASA Astrophysics Data System (ADS)

    Shabara, Reham M.; Aly, Samy H.

    2017-02-01

    The elastic, magnetic, and structural properties of PrX2 (X=Fe, Mn, Co) alloys, of the cubic Laves structure (MgCu2), have been evaluated by first-principles density functional theory using both local spin density (LSDA) and generalized gradient (GGA) approximations. The lattice constant, magnetic moment, density of states, band structure, bulk modulus and its first pressure derivative are calculated. At zero pressure, the total magnetic moments of PrFe2, PrCo2, and PrMn2 using GGA are 4.515, 1.05, and 4.79 μB respectively. The bulk moduli using LSDA are higher than those using GGA approximation. The evaluated Bulk moduli of PrFe2, PrMn2 and PrCo2 using GGA approximation are 48.1, 42.98, and 72.23 GPa respectively. The lattice constant and magnetic moment of PrFe2 using GGA approximation are 7.2 Ǻ and 4.51 μB respectively in good agreement with experimental results.

  18. Amplitude modulation drive to rectangular-plate linear ultrasonic motors with vibrators dimensions 8 mm x 2.16 mm X 1 mm.

    PubMed

    Ming, Yang; Hanson, Ben; Levesley, Martin C; Walker, Peter G; Watterson, Kevin G

    2006-12-01

    In this paper, to exploit the contribution from not only the stators but also from other parts of miniature ultrasonic motors, an amplitude modulation drive is proposed to drive a miniature linear ultrasonic motor consisting of two rectangular piezoelectric ceramic plates. Using finite-element software, the first longitudinal and second lateral-bending frequencies of the vibrator are shown to be very close when its dimensions are 8 mm x 2.16 mm x 1 mm. So one single frequency power should be able to drive the motor. However, in practice the motor is found to be hard to move with a single frequency power because of its small vibration amplitudes and big frequency difference between its longitudinal and bending resonance, which is induced by the boundary condition variation. To drive the motor effectively, an amplitude modulation drive is used by superimposing two signals with nearly the same frequencies, around the resonant frequency of the vibrators of the linear motor. When the amplitude modulation frequency is close to the resonant frequency of the vibrator's surroundings, experimental results show that the linear motor can move back and forward with a maximum thrust force (over 0.016 N) and a maximum velocity (over 50 mm/s).

  19. Chemical pressure induced change in multiferroicity of Bi1+2xGd2x/2Fe1-2xO3 bulk ceramics

    NASA Astrophysics Data System (ADS)

    Pradhan, S. K.; Sahu, D. R.; Rout, P. P.; Das, S. K.; Pradhan, A. K.; Srinivasu, V. V.; Roul, B. K.

    2017-04-01

    We have optimized Gd ion substitution in BiFeO3 (BFO) and observed prominently change in structural, electrical and magnetic behavior of Bi1+2xGd2x/2Fe1-2xO3 ceramics synthesized through slow step sintering schedule. It is observed that with the increase in concentration of Gd (x=0.1), original structure of BFO is transformed from rhombohedral R3c space group to orthorhombic Pn21a space group. Surprisingly, unit cell volume is drastically contracted (35% for x=0.2) and the sintered specimen showed enhanced room temperature ferromagnetic behavior although the original BFO is normally G-type antiferromagnetic in nature at 643 K. It is expected that intrinsic chemical pressure within the bulk body built by the substitution of Gd in presence of excess bismuth greatly supported through unidirectional movement of electrical dipole moment with in each individual domain as a result of which suppression of leakage current with enhanced dielectric and ferroelectric hysteresis is observed.

  20. Ab initio studies on electronic and magnetic properties of X2PtGa (X=Cr, Mn, Fe, Co) Heusler alloys

    NASA Astrophysics Data System (ADS)

    Roy, Tufan; Chakrabarti, Aparna

    2017-02-01

    Using first-principles calculations based on density functional theory, we probe the electronic and magnetic properties of X2PtGa (X being Cr, Mn, Fe, Co) Heusler alloys. Our calculations predict that all these systems possess inverse Heusler alloy structure in the respective ground states. Application of tetragonal distortion leads to lowering of energy with respect to their cubic phase. The equilibrium volumes of both the phases are nearly the same. These indicate that the materials studied here are prone to undergo martensite transition, as has been recently shown theoretically for Mn2PtGa in the literature. Ground state with a tetragonal symmetry is corroborated by the observation of soft tetragonal shear constants in the cubic phase. By comparing the energies of various types of magnetic configurations we predict that Cr2PtGa and Mn2PtGa possess ferrimagnetic configuration whereas Fe2PtGa and Co2PtGa possess ferromagnetic configuration in their respective ground states.

  1. Phonon-driven superconductivity in the vicinity of ferroelectric and charge density wave ordering in La(O,F)BiX2 (X=S, Se, O)

    NASA Astrophysics Data System (ADS)

    Yildirim, Taner

    2015-03-01

    Examples of layered superconductors include cuprates, MgB2, CaC6, and recent iron-pnictides. Recently a new family of layered materials containing BiS2 planes, was discovered to be superconducting at temperatures up to 10 K. In order to reveal the mechanism of superconductivity, here we present results from first-principles calculations with many surprising findings for La(O,F) Bi X2 for X=S, Se, and O. The parent compound LaOBiS2 possesses anharmonic ferroelectric soft phonons at the zone center with a rather large polarization of P ~ 10 μC/cm2. Upon electron doping, new unstable phonon branches appear along the entire line Q=(q,q,0), causing Bi/S atoms to order in a one-dimensional charge density wave (CDW). We find that BiS2 is a strong electron-phonon coupled superconductor in the vicinity of competing ferroelectric and CDW phases. We discuss similar results for X=Se and hypothetical compound X=0. These results will be compared with another interesting system, namely Ba1-xKxBiO3, which exhibits several phases, including CDW, an incommensurate pseudo ferroelectric, and superconductivity at 31 K. Our results suggest new directions to tune the balance between these phases and increase Tc in this new class of materials.

  2. Evaluation of uranium geochemical anomalies in the Greenville 1/sup 0/ x 2/sup 0/ Quadrangle (Avalon, Greer, Honea, and Northeast Greenville). National Uranium Resource Evaluation program

    SciTech Connect

    Sargent, K. A.; Price, V. Jr.

    1982-08-01

    The Savannah River Laboratory (SRL) was involved in the National Uranium Resource Evaluation (NURE) from 1974 through 1981. The SRL role was to design, conduct, and report the data from a geochemical reconnaissance of almost half the continental United States. The purpose of this work was to provide a basis for evaluating the uranium potential of areas and to identify areas meriting conventional geologic followup. More than 275,000 samples of stream sediment, soil, vegetation, and ground or surface water were collected in the program. As a part of the development program to support interpretation of the geochemical data, SRL conducted a series of field studies to verify anomalies that were identified from reconnaissance data. Subcontractors were selected to conduct field scintillometer surveys, compile geologic maps, collect additional samples, or provide other services needed for a given study. This report summarizes the results of four small studies that were conducted for SRL by V.S. Griffin, Jr., in the Greenville 1/sup 0/ x 2/sup 0/ quadrangle. Normal editing was not done so the report could be released to the public before the termination of the NURE program. Thus, conceptual errors that may be present have not been corrected, and the reader is cautioned to use professional judgment in interpreting the data. These studies include original geologic maps and the results of field radioactivity measurements. 20 figures, 5 tables.

  3. Evaluation of uranium geochemical anomalies in the Spartanburg 1/sup 0/ x 2/sup 0/ NTMS area near Pacolet Mills, SC

    SciTech Connect

    Owen, J.

    1981-06-01

    The Savannah River Laboratory (SRL) was involved in the National Uranium Resource Evaluation (NURE) program from 1974 through 1981. The SRL role was to design, conduct, and report the data from a geochemical reconnaissance of almost half the continental United States. The purpose of this work was to provide a basis for evaluating the uranium potential of areas and to identify areas meriting conventional geological followup. In this program over 275,000 samples of stream sediment, soil vegetation, and ground or surface water were collected. As a part of the development program to support interpretation of the geochemical data, SRL conducted a series of anomaly verification field studies. Each study area was chosen on the basis of a geochemical anomaly in reconnaissance data. Subcontractors were selected to conduct field scintillometer surveys, compile geologic maps, collect additional samples, or provide other services as deemed appropriate for a given study. This report, which summarizes the results of a study in the Spartanburg 1/sup 0/ x 2/sup 0/ quadrangle, was compiled for SRL by Jerry Owen and is published as a facsimile of this report to SRL. Normal editing was not done so that the report could be placed in the public domain prior to the termination of the NURE program. This study is one of a series designed to provide a basis for interpretation of SRL regional geochemical reconnaissance data. It contains a synthesis of published data and results of a four-channel gamma spectrometer survey of an area near Pacolet Mills, South Carolina.

  4. The Nicotinic α6 Subunit Gene Determines Variability in Chronic Pain Sensitivity via Cross-inhibition of P2X2/3 Receptors

    PubMed Central

    Wieskopf, Jeffrey S.; Mathur, Jayanti; Limapichat, Walrati; Post, Michael R.; Al-Qazzaz, Mona; Sorge, Robert E.; Martin, Loren J.; Zaykin, Dmitri V.; Smith, Shad B.; Freitas, Kelen; Austin, Jean-Sebastien; Dai, Feng; Zhang, Jie; Marcovitz, Jaclyn; Tuttle, Alexander H.; Slepian, Peter M.; Clarke, Sarah; Drenan, Ryan M.; Janes, Jeff; Sharari, Shakir Al; Segall, Samantha K.; Aasvang, Eske K.; Lai, Weike; Bittner, Reinhard; Richards, Christopher I.; Slade, Gary D.; Kehlet, Henrik; Walker, John; Maskos, Uwe; Changeux, Jean-Pierre; Devor, Marshall; Maixner, William; Diatchenko, Luda; Belfer, Inna; Dougherty, Dennis A.; Su, Andrew I.; Lummis, Sarah C.R.; Damaj, M. Imad; Lester, Henry A.; Patapoutian, Ardem; Mogil, Jeffrey S.

    2016-01-01

    Chronic pain is a highly prevalent and poorly managed human health problem. We used microarray-based expression genomics in 25 inbred mouse strains to identify dorsal root ganglion (DRG)-expressed genetic contributors to mechanical allodynia, a prominent symptom of chronic pain. We identified expression levels of Chrna6, which encodes the α6 subunit of the nicotinic acetylcholine receptor (nAChR), as highly associated with allodynia. We confirmed the importance of α6* (i.e., α6-containing) nAChRs by analyzing both gain- and loss-of-function mutants. We find that mechanical allodynia associated with neuropathic and inflammatory injuries is significantly altered in α6* mutants, and that α6* but not α4* nicotinic receptors are absolutely required for peripheral and/or spinal nicotine analgesia. Furthermore, we show that Chrna6’s role in analgesia is at least partially due to direct interaction and cross-inhibition of α6* nAChRs with P2X2/3 receptors in DRG nociceptors. Finally, we establish relevance of our results to humans by the observation of genetic association in patients suffering from chronic postsurgical pain and temporomandibular pain. PMID:25972004

  5. Argon-Induced Pressure Broadening, Shifting and Narrowing in the CN ˜{A}^2Π-˜{X}^2Σ^+ (1-0) Band

    NASA Astrophysics Data System (ADS)

    Forthomme, D.; McRaven, C. P.; Sears, T. J.; Hall, G. E.

    2013-06-01

    Selected isolated rotational transitions in the 1-0 band of the red ˜{A}^2Π-˜{X}^2Σ^+ system in CN have been recorded with transient frequency modulation spectroscopy as a function of argon pressure up to 0.2 atmospheres at room temperature. Line shapes were fit using Fourier transforms of a parameterized time correlation function, including Doppler and velocity-dependent collisional broadening, and collisional shifts. Deviations from Voigt line shapes can be equally well fit by modeling the narrowing with a speed-dependent collision model or with a velocity-changing collisional narrowing model. Pressure broadening coefficients were observed with little rotational state dependence, in the range of 0.070 - 0.075 cm^{-1} atm^{-1}. In contrast, a much stronger rotational state dependence is observed for both pressure-dependent blue shift coefficients and the narrowing parameters. No asymmetry in the pressure broadening was observed; any possible speed-dependence to the frequency shift was too small to be detected in these measurements. Acknowledgments: Work at Brookhaven National Laboratory was carried out under Contract No. DE-AC02-98CH10886 with the U.S. Department of Energy and supported by its Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences.

  6. Novel cathode materials LixNa2-xV2O6 (x = 2, 1.4, 1, 0) for high-performance lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Li, Kaiqi; Cao, Liufei; Huang, Zheng; Chen, Liang; Chen, Zhongxue; Fu, Chaopeng

    2017-03-01

    In this work, sodium doped LiVO3 cathode is proposed to achieve enhanced cycling performance for lithium ion battery (LIB) application. LixNa2-xV2O6 (x = 2, 1.4, 1, 0) compounds have been prepared and characterized, and X-ray diffraction patterns confirmed the successful Na doping with various amounts in the LiVO3. The electrochemical performances of the various Na doped compounds LiVO3, Li1.4Na0.6V2O6, LiNaV2O6, and NaVO3 are evaluated by cyclic voltammetry, galvanostatic charge/discharge and electrochemical impedance spectroscopy. The results reveal that Na-doping amount strongly affects the electrochemical performance, and LiNaV2O6 (x = 1) is considered as the optimized Na doped compound for LIB cathodes. The LiNaV2O6 cathode displays enhanced cycling and rate performances as a specific capacity of 193 mAh g-1 at 0.5 C after 100 cycles is delivered. The enhanced performance is explained that the doping of Na can provide good channels and increase Li+ diffusion coefficient for lithium ion intercalation/deintercalation.

  7. Beryllium-Free KBBF Family of Nonlinear-Optical Crystals: AZn2BO3X2 (A = Na, K, Rb; X = Cl, Br).

    PubMed

    Huang, Qian; Liu, Lijuan; Wang, Xiaoyang; Li, Rukang; Chen, Chuangtian

    2016-12-19

    A series of a novel beryllium-free KBBF family of nonlinear-optical materials AZn2BO3X2 (A = K, Rb and X = Cl; A = Na, K, Rb and X = Br) were successfully synthesized through molecular engineering design, and single crystals of AZn2BO3Cl2 (A = K, Rb) were grown by a spontaneous nucleation technique from self-flux systems. As a representative for the halogen KBBF family of crystals, KZn2BO3Cl2 features the infinite lattice layer [Zn2BO3Cl2]∞ made up of BO3 and ZnO3Cl anionic groups, and the in-layer BO3 groups are completely coplanar and well-aligned. Besides, KZn2BO3Cl2 exhibits high transmittance in the range of 300-2000 nm with a UV-transmission cutoff of around 200 nm according to transmission spectra. The compounds of AZn2BO3Cl2 (A = K, Rb) are both phase-matchable with powder second-harmonic-generation efficiencies of 1.3 and 1.17 times that of KH2PO4 for KZn2BO3Cl2 and RbZn2BO3Cl2, respectively, which are similar to that of KBBF.

  8. Anomalous local magnetism in the 4 f-localized ferromagnets CeRu2X2B (X = Al, Ga) revealed by using ZF-μSR

    NASA Astrophysics Data System (ADS)

    Lee, Wonjun; Choi, Kwang-Yong; Yoon, Sungwon; Suh, Byoung Jin; Jang, Zeehoon; Biswas, P. K.; Baumbach, Ryan E.; Bauer, Eric D.

    2016-05-01

    We report zero-field muon spin relaxation/rotation (ZF-μSR) measurements on the 4f-localized ferromagnets CeRu2X2B (X = Al, Ga) with Ising-type anisotropy. Our ZF-μSR spectra of CeRu2Ga2B with a Curie temperature at T C = 16.3 K show a well-defined muon procession at temperatures below T C . The extracted critical exponent of β = 0.533 is close to the mean-field value of β = 0.5. On the other hand, the isomorphic CeRu2Al2B exhibits an intriguing evolution of the ZF-μSR spectrum through a spin density wave/ferromagnetic transition at T C = 12.8 K with a subsequent magnetic anomaly at T* = 6 K. Strikingly, the muon frequency decreases upon cooling to temperatures below T C and can be no longer resolved at temperatures below T*. At the same time, the muon relaxation rate increases continuously at temperatures below T C . These give an indication of the development of an inhomogeneous and dynamic ferromagnetic state. The contrasting ferromagnetism between CeRu2Ga2B and CeRu2Al2B evidences that a certain type of intrinsic/extrinsic perturbation, for example, exchange frustration and defects/impurities, can exert a drastic impact on the local magnetic properties in a family of 4 f-localized magnetic materials with frustration.

  9. Relations between X-ray emissions, magnetic fields and electric currents during the X2.2 flare on the 15 February 2011

    NASA Astrophysics Data System (ADS)

    Musset, Sophie; Vilmer, Nicole; Bommier, Véronique

    2014-05-01

    The energy released during solar flares is believed to be stored in non-potential magnetic fields associated with electric currents. The aim of this paper is to study the relation between the location of the X-ray emissions produced by energetic electrons accelerated in the corona, the magnetic fields and the vertical current densities from measurements in the photosphere, during the X2.2 flare on the 15 February 2011 (AR NOAA 11158). We created X-ray images with the data from the Reuven Ramaty High Energy Solar Spectroscopic Imager (RHESSI) to overlay them on magnetic field maps and current density maps calculated with the UNNOFIT inversion and Metcalf disambiguation codes from the spectropolarimetric measurements of the Helioseismic and Magnetic Imager (HMI) on the Solar Dynamics Observatory (SDO). We conclude that the X-rays emitted by thermal and non-thermal electrons during the flare are located above or very close to the photospheric current sheet. A comparison between X-ray and Extreme Ultraviolet (EUV) images from the SDO Atmospheric Imaging Assembly (AIA) and a spectral analysis of the X-ray emission complete the study of the flare.

  10. Confidence interval for rate ratio in a 2 x 2 table with structural zero: an application in assessing false-negative rate ratio when combining two diagnostic tests.

    PubMed

    Tang, Man-Lai; Tang, Nian-Sheng; Carey, Vincent J

    2004-06-01

    In this article, we consider problems with correlated data that can be summarized in a 2 x 2 table with structural zero in one of the off-diagonal cells. Data of this kind sometimes appear in infectious disease studies and two-step procedure studies. Lui (1998, Biometrics54, 706-711) considered confidence interval estimation of rate ratio based on Fieller-type, Wald-type, and logarithmic transformation statistics. We reexamine the same problem under the context of confidence interval construction on false-negative rate ratio in diagnostic performance when combining two diagnostic tests. We propose a score statistic for testing the null hypothesis of nonunity false-negative rate ratio. Score test-based confidence interval construction for false-negative rate ratio will also be discussed. Simulation studies are conducted to compare the performance of the new derived score test statistic and existing statistics for small to moderate sample sizes. In terms of confidence interval construction, our asymptotic score test-based confidence interval estimator possesses significantly shorter expected width with coverage probability being close to the anticipated confidence level. In terms of hypothesis testing, our asymptotic score test procedure has actual type I error rate close to the pre-assigned nominal level. We illustrate our methodologies with real examples from a clinical laboratory study and a cancer study.

  11. Flight Behavior of the X-2 Research Airplane to a Mach Number of 3.20 and a Geometric Altitude of 126,200 Feet

    NASA Technical Reports Server (NTRS)

    Day, Richard E.; Reisert, Donald

    1959-01-01

    The maximum Mach number and altitude capabilities of the Bell X-2 research airplane were achieved during a program conducted by the U.S. Air Force with Bell Aircraft Corp. providing operational support and the National Aeronautics and Space Administration providing instrumentation and advisory engineering assistance. A maximum geometric altitude of 126,200 feet was attained at a static pressure of 9.4 pounds per square foot and a dynamic pressure of 19.1 pounds per square foot. During the last flight of the airplane, a maximum Mach number of 3.20 was reached. The directionally divergent maneuver which terminated the final high Mach number flight was precipitated by the loss in directional stability that resulted from increasing the angle of attack. The yawing moment from the lateral control was sufficient to initiate the divergence and also to cause,, indirectly, rolling moments that were greater than the aileron capabilities of the airplane. The ensuing violent motions-resulting from inertial roll coupling caused the loss of the aircraft.

  12. Electronic and magnetic properties of X2YZ and XYZ Heusler compounds: a comparative study of density functional theory with different exchange-correlation potentials

    NASA Astrophysics Data System (ADS)

    Rai, D. P.; Sandeep; Shankar, A.; Pradhan Sakhya, Anup; Sinha, T. P.; Khenata, R.; Ghimire, M. P.; Thapa, R. K.

    2016-07-01

    The electronic and magnetic properties of Heusler compounds X2YZ and XYZ (X = Co, Ni, Pt, Fe; Y = Mn, Cr, Vi; Z = Al, Sb, Ga) are investigated by using the density functional theory with generalized gradient approximation (GGA), GGA plus U (LSDA+U), and modified Becke-Johnson (mBJ) exchange potential. It is found that the half-metallic gaps are generally widened reasonably by LSDA+U and mBJ as compared to the conventional GGA. For the Co-based Heusler compounds the inclusion of U in GGA leads to a larger minority band gap while it is destroyed for Fe2VAl and NiMnSb. The magnetic properties of Co2VSi and Co2VSn are well defined within LSDA+U and mBJ with an exact integer value of magnetic moment. The band gaps of Fe2VAl and CoMnSb given by mBJ are in good agreement with the available experimental data of x-ray absorption spectroscopy. Except for the reasonably larger band gap, the mBJ band structure is almost same as that of GGA but is remarkably different from that of LSDA+U.

  13. Effect of temperature on the distribution and inhomogeneity degree of Se-S atoms in CuIn(Se1-x S x )2 alloys

    NASA Astrophysics Data System (ADS)

    Xue, Hong-Tao; Tang, Fu-Ling; Zhang, Fu-Zhen; Lu, Wen-Jiang; Feng, Yu-Dong

    2016-01-01

    The distribution morphologies and inhomogeneity degrees of Se-S atoms in CuIn(Se1-x S x )2 (CISS) alloys with seven concentrations of sulphur atoms were studied at the temperature range from 23 K to 973 K using Monte Carlo simulations based on the cluster expansion method and first-principles calculations. We found the S(Se) atoms in CISS alloys cluster in a form of ellipsoid or lamella at low temperatures as the concentration of S atoms changes. And the Se-S distribution in CISS alloys becomes more and more homogeneous as the temperature increases. A sharp decline in the inhomogeneity degree σ within a certain temperature range for CISS alloys indicates a phase transition from an inhomogeneous state to a homogeneous state is occurring. And the homogeneous state here is not a totally homogeneous state due to the unavoidable inhomogeneity of CISS alloys. The relation between the inhomogeneity degree and temperature follows well the Boltzmann function model. Finally, a reliable method for predicting the phase transition temperature of similar alloys was proposed.

  14. Molecular docking studies of (X-methylphenyl)-5-nitro-6-amino-3-pyridinecarboxmide (X=2,3,4,5,6) as potential inhibitors for Alzheimer's disease

    NASA Astrophysics Data System (ADS)

    Premkumar, S.; Asath, R. Mohamed; Rekha, T. N.; Jawahar, A.; Mathavan, T.; Benial, A. Milton Franklin

    2016-05-01

    An insilico and density functional theory (DFT) calculations were carried out for (X-methylphenyl)-5-nitro-6-amino-3-pyridinecarboxmide (X-MPNAPC),{X=2,3,4,5,6} to evaluate the potential inhibitors for Alzheimer's disease. The molecular structure of 2-MPNAPC, 3-MPNAPC, 4-MPNAPC, 5-MPNAPC and 6-MPNAPC molecules was optimized by the DFT/B3LYP method with cc-pVTZ basis set using the Gaussian 09 program. The inhibitory nature of the molecules against enzyme acetylcholinesterase (AChE) catalyzes was evaluated by molecular docking studies. The molecular docking parameters such as binding energy, inhibition constant and intermolecular energy were calculated by the AutoDock 4.0 software. The higher binding energy, intermolecular energy and lower inhibition constant values suggested that the 2-MPNAPC molecule has higher inhibitory nature against the AChE catalyzes, which confirm that the 2-MPNAPC molecule is a potential inhibitor for the Alzheimer's disease. The molecular reactivity was also studied by the frontier molecular orbitals analysis.

  15. Adsorption site and structure determination of c(2x2) N{sub 2}/Ni(100) using angle-resolved photoemission extended fine structure

    SciTech Connect

    Moler, E.J.; Kellar, S.A.; Huff, W.R.A.

    1997-04-01

    The authors have determined the atomic spatial structure of c(2x2) N2Ni(100) with Angle-Resolved Photoemission Extended Fine Structure (ARPEFS) from the nitrogen 1s core level using monochromatized x-rays from beamline 6.1 at SSRL and beamline 9.3.2 at the ALS. The chemically shifted N 1s peak intensities were summed together to obtain ARPEFS curves for both nitrogen atoms in the molecule. They used a new, highly-optimized program based on the Rehr-Albers scattering matrix formalism to find the adsorption site and to quantitatively determine the bond-lengths. The nitrogen molecule stands upright at an atop site, with a N-Ni bond length of 2.25(1) {angstrom}, a N-N bond length of 1.10(7) {angstrom}, and a first layer Ni-Ni spacing of 1.76(4) {angstrom}. The shake-up peak shows an identical ARPEFS diffraction pattern, confirming its intrinsic nature and supporting a previous use of this feature to decompose the peak into contributions from the chemically inequivalent nitrogen atoms. Comparison to a previously published theoretical treatment of N-N-Ni and experimental structures of analogous adsorbate systems demonstrates the importance of adsorbate-adsorbate interactions in weakly chemisorbed systems.

  16. Transport and Magnetic Properties of Single-Crystal Lu(Ni_1- xCo_x)_2B_2C (x = 0 - 0.09)

    NASA Astrophysics Data System (ADS)

    Cheon, K. O.; Fisher, I. R.; Kogan, V.; Canfield, P. C.

    1998-03-01

    In fields greater than approximately 1 kG (H_crit), the vortex lattice of LuNi_2B_2C has a four-fold (square) symmetry. Weaker applied fields result in a triangular vortex lattice. Theoretical models of this phase transition involve both the coherence length and the mean free path. Small amounts of cobalt substitution allow for the careful adjustment of both quantities, and provides a practical method for increasing H_crit. Results of resistivity and dc-magnetic susceptibility measurements are presented for single-crystal samples of Lu(Ni_1-xCo_x)_2B_2C (x = 0 - 0.09). Residual resistivities (ρ_0) are a factor of five smaller than values obtained for polycrystalline samples. We find that (ρ_0) increases by 1.5 μΩcm per percent Co. Implications of these results for values of the hex-to-square vortex lattice transition will be discussed. Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under Contract No. W-7405-Eng-82.

  17. Search for the OH (X(2)Pi) Meinel band emission in meteors as a tracer of mineral water in comets: detection of N(2)(+) (A-X).

    PubMed

    Jenniskens, Peter; Laux, Christophe O

    2004-01-01

    We report the discovery of the N(2)(+) A-X Meinel band in the 780-840 nm meteor emission from two Leonid meteoroids that were ejected less than 1000 years ago by comet 55P/Tempel-Tuttle. Our analysis indicates that the N(2)(+) molecule is at least an order of magnitude less abundant than expected, possibly as a result of charge transfer reactions with meteoric metal atoms. This new band was found while searching for rovibrational transitions in the X(2)Pi electronic ground state of OH (the OH Meinel band), a potential tracer of water bound to minerals in cometary matter. The electronic A-X transition of OH has been identified in other Leonid meteors. We did not detect this OH Meinel band, which implies that the excited A state is not populated by thermal excitation but by a mechanism that directly produces OH in low vibrational levels of the excited A(2)Sigma state. Ultraviolet dissociation of atmospheric or meteoric water vapor is such a mechanism, as is the possible combustion of meteoric organics.

  18. Helical Majorana fermions in d(x2-y2) + id(xy)-wave topological superconductivity of doped correlated quantum spin Hall insulators.

    PubMed

    Sun, Shih-Jye; Chung, Chung-Hou; Chang, Yung-Yeh; Tsai, Wei-Feng; Zhang, Fu-Chun

    2016-04-11

    There has been growing interest in searching for exotic self-conjugate, charge-neutral low-energy fermionic quasi-particles, known as Majorana fermions (MFs) in solid state systems. Their signatures have been proposed and potentially observed at edges of topological superconcuctors with non-trivial topological invariant in the bulk electronic band structure. Much effort have been focused on realizing MFs in odd-parity superconductors made of strong spin-orbit coupled materials in proximity to conventional superconductors. In this paper, we propose a novel mechanism for realizing MFs in 2D spin-singlet topological superconducting state induced by doping a correlated quantum spin Hall (Kane-Mele) insulator. Via a renormalized mean-field approach, the system is found to exhibits time-reversal symmetry (TRS) breaking d(x2-y2) + id(xy)-wave (chiral d-wave) superconductivity near half-filling in the limit of large on-site repulsion. Surprisingly, however, at large spin-orbit coupling, the system undergoes a topological phase transition and enter into a new topological phase protected by a pseudo-spin Chern number, which can be viewed as a persistent extension of the quantum spin Hall phase upon doping. From bulk-edge correspondence, this phase is featured by the presence of two pairs of counter-propagating helical Majorana modes per edge, instead of two chiral propagating edge modes in the d + id' superconductors.

  19. A discharge flow-photoionization mass spectrometric study of the FO(X 2 Pi i) radical. Photoionization efficiency spectrum and ionization energy

    NASA Technical Reports Server (NTRS)

    Zhang, Zhengyu; Kuo, Szu-Cherng; Klemm, R. Bruce; Monks, Paul S.; Stief, Louis J.

    1994-01-01

    Photoionization efficiency spectra of FO were measured over the wavelength range 80.0-100.0 nm and in the ionization threshold region, 94.0-100.0 nm, using a discharge flow-photoionization mass spectrometer apparatus coupled to a synchrotron radiation source. FO was generated by the reaction of F2P atoms with NO3 and via a F2O2 discharge. A value of 12.78 +/- 0.03 eV was obtained for the adiabatic ionization energy of FO from photoion thresholds which corresponds to FO(+)(X 3 Sigma -) from FO(X 2 Pi i). These results, which are the first to be obtained by direct Photo-ionization mass spectrometry (PIMS) measurements, corroborate those of a photoelectron spectroscopy (PES) study; however, the ionization energy determined here is free from interferences due to other species which complicated the PES measurement. A value of 109.5 +/- 8.0 kJ/mol for Delta f H 0 298(FO) is computed from the present value of IE(FO) and a previous appearance energy measurement, and a value for the proton affinity of FO is calculated to be 511.5 +/- 10.0 kJ/mol.

  20. Structural and magnetic investigation of Ba 2(Fe,Re 1- xw x) 2O 6 (0⩽ x⩽0.5)

    NASA Astrophysics Data System (ADS)

    Rammeh, N.; Bramnik, K. G.; Ehrenberg, H.; Fuess, H.; Cheikh-Rouhou, A.

    2004-07-01

    The double-perovskite series Ba 2(Fe,Re 1- xW x) 2O 6, where x=0, 0.2, 0.4 and 0.5, have been prepared as pure powders by a conventional solid-state reaction and studied by X-ray powder diffraction and magnetization measurements. X-ray powder diffraction has been carried out at different temperatures (between 90 and 300 K) to study structural and magnetic properties of Ba 2(Fe,Re) 2O 6. Rietveld analysis of X-ray diffraction patterns show a partial disorder of Re/W and Fe on the B sites of the double-perovskite, which plays a dominant role in the structural and magnetic properties of these compounds. The symmetry is cubic ( Fm3¯m) for all samples, and no phase transition was detected for Ba 2(Fe,Re) 2O 6 between 95 K and room temperature. The magnetic properties of these series are remarkable: TC goes to a maximum reaching 338 K for x=0.2, with a spontaneous moment lower than the theoretical value.

  1. [Investigation of the (6, 1) and (7, 2) bands in the A 2IIi-X 2sigma+ red system of CN radical].

    PubMed

    An, Li-Qiong; Yang, Xiao-Hua; Guo, Ying-Chun; Xu, Yi-Min; Xu, Chao-Xiong; Chen, Yang-Qin; Liu, Yu-Yan

    2005-01-01

    The CN radical was produced by Penning AC discharge of the mixture of trace acetonitrile (36 Pa) and helium (660 Pa) and the ro-vibrational spectra were measured by optical heterodyne magnetic rotation enhanced concentration modulation spectroscopy in the range of 16 850-17 480 cm(-1). 138 lines and 118 lines were assigned to the (6, 1) and (7, 2) bands in red system A 2IIi-X 2sigma+ of CN respectively, while others were due to (8, 3) band in CN red system and C2 Swan band system. More accurate molecular constants of A 2IIi (v = 6, 7) state and perturbation parameters zeta and eta between A and X states were derived based on nonlinear least-square fitting, individually, by diagonalizing the effective Hamiltonian matrix involving the perturbation elements of two electronical states and the standard deviation of fitting was less than the experimental uncertainty 0.007 cm(-1), which implied the accuracy of our results.

  2. Underlying theory of a model for the Renner-Teller effect in tetra-atomic molecules: X(2)Πu electronic state of C2H2(+).

    PubMed

    Perić, M; Jerosimić, S; Mitić, M; Milovanović, M; Ranković, R

    2015-05-07

    In the present study, we prove the plausibility of a simple model for the Renner-Teller effect in tetra-atomic molecules with linear equilibrium geometry by ab initio calculations of the electronic energy surfaces and non-adiabatic matrix elements for the X(2)Πu state of C2H2 (+). This phenomenon is considered as a combination of the usual Renner-Teller effect, appearing in triatomic species, and a kind of the Jahn-Teller effect, similar to the original one arising in highly symmetric molecules. Only four parameters (plus the spin-orbit constant, if the spin effects are taken into account), which can be extracted from ab initio calculations carried out at five appropriate (planar) molecular geometries, are sufficient for building up the Hamiltonian matrix whose diagonalization results in the complete low-energy (bending) vibronic spectrum. The main result of the present study is the proof that the diabatization scheme, hidden beneath the apparent simplicity of the model, can safely be carried out, at small-amplitude bending vibrations, without cumbersome computation of non-adiabatic matrix elements at large number of molecular geometries.

  3. Topochemical Transformations of CaX2 (X=C, Si, Ge) to Form Free-Standing Two-Dimensional Materials.

    PubMed

    Pratik, Saied Md; Nijamudheen, A; Datta, Ayan

    2015-12-07

    Topochemical transformations of layered materials CaX2 (X=Si, Ge) are the method of choice for the high-yield synthesis of pristine, defect-free two-dimensional systems silicane and germanane, which have advanced electronic properties. Based on solid-state dispersion-corrected calculations, mechanisms for such transformations are elucidated that provide an in-depth understanding of phase transition in these layered materials. While formation of such layered materials is highly favorable for silicane and germanane, a barrier of 1.2 eV in the case of graphane precludes its synthesis from CaC2 topochemically. The energy penalty required for distorting linear acetylene into a trans-bent geometry accounts for this barrier. In contrast it is highly favorable in the heavier analogues, resulting in barrierless topochemical generation of silicane and germanane. Photochemical generation of the trans-bent structure of acetylene in its first excited state (S1 ) can directly generate graphane through a barrierless condensation. Unlike the buckled structure of silicene, the phase-h of CaSi2 with perfectly planar silicene layers exhibits the Dirac cones at the high symmetry points K and H. Interestingly, topochemical acidification of the cubic phase of calcium carbide is predicted to generate the previously elusive platonic hydrocarbon, tetrahedrane.

  4. MAGNETOHYDRODYNAMIC SIMULATION OF THE X2.2 SOLAR FLARE ON 2011 FEBRUARY 15. II. DYNAMICS CONNECTING THE SOLAR FLARE AND THE CORONAL MASS EJECTION

    SciTech Connect

    Inoue, S.; Magara, T.; Choe, G. S.; Hayashi, K.; Park, Y. D.

    2015-04-20

    We clarify a relationship between the dynamics of a solar flare and a growing coronal mass ejection (CME) by investigating the dynamics of magnetic fields during the X2.2-class flare taking place in the solar active region 11158 on 2011 February 15, based on simulation results obtained from Inoue et al. We found that the strongly twisted lines formed through tether-cutting reconnection in the twisted lines of a nonlinear force-free field can break the force balance within the magnetic field, resulting in their launch from the solar surface. We further discover that a large-scale flux tube is formed during the eruption as a result of the tether-cutting reconnection between the eruptive strongly twisted lines and these ambient weakly twisted lines. The newly formed large flux tube exceeds the critical height of the torus instability. Tether-cutting reconnection thus plays an important role in the triggering of a CME. Furthermore, we found that the tangential fields at the solar surface illustrate different phases in the formation of the flux tube and its ascending phase over the threshold of the torus instability. We will discuss these dynamics in detail.

  5. Effects of substitution, pressure, and temperature on the phonon mode in layered-rocksalt-type Li{sub (1−x)/2}Ga{sub (1−x)/2}Zn{sub x}O (x = 0.036–0.515) alloys

    SciTech Connect

    Tan, Lijie; Hu, Qiwei; Lei, Li Jiang, Xiaodong; Gao, Shangpan; He, Duanwei

    2015-11-14

    ZnO-based semiconductor alloys, Li{sub (1−x)/2}Ga{sub (1−x)/2}Zn{sub x}O (x = 0.036–0.515) with a layered-rocksalt-type structure, have been prepared under high pressure. The composition, pressure, and temperature dependence of phonons have been studied by Raman spectroscopy. We observe two disorder-activated Raman (DAR) modes when the Zn composition x increases: a broad Raman peak at ca. 400 cm{sup −1} and a left-shoulder peak at ca. 530 cm{sup −1} on the low-frequency side of A{sub 1g} mode at ca. 580 cm{sup −1}, which can be explained by reference to the phonon density of states for rocksalt-type ZnO. With the increase of the pressure and temperature, the left-shoulder DAR mode induced by substitution does not change at the same pace with the A{sub 1g} mode at Brillouin-zone center. We find that ion substitution can be seen as a kind of chemical pressure, and the chemical pressure caused by internal substitution and the physical pressure caused by external compression have equivalent effects on the shortening of correlation length, the distortion of crystal lattice, and the change of atomic occupation.

  6. The Conterminous United States Mineral Appraisal Program; background information to accompany folio of geologic, geochemical, geophysical, and mineral resource maps of the Choteau 1 degree x 2 degrees Quadrangle, Montana

    USGS Publications Warehouse

    Earhart, Robert L.; Grimes, David J.; Leinz, Reinhard W.; Kleinkopf, M. Dean

    1981-01-01

    The Choteau l? x 2? quadrangle in northwest Montana was studied by an interdisciplinary research team in order to appraise its mineral resource and hydrocarbon potential The appraisal is based on field and laboratory investigations of the geology, geochemistry, and geophysics. The results of the investigations are published as a folio of maps, figures, tables, and accompanying discussions. This circular provides background information on the investigations and integrates the published components of the resource appraisal. A comprehensive bibliography cites both specific and general references to the geology, geochemistry, geophysics, and mineral deposits of the Choteau l? x 2? quadrangle.

  7. Effect of chemical ordering on the crystallization behavior of Se90Te10-xSnx (x=2, 4, 6, and 8) chalcogenide glasses

    NASA Astrophysics Data System (ADS)

    Lafi, Omar A.; Imran, Mousa M. A.; Abu-Shaweesh, Nazem I.; Al-Kurdi, Fares M.; Khatatbeh, Ibtehaj K.

    2014-06-01

    Ternary Se90Te10-xSnx (x=2, 4, 6, and 8) chalcogenide glassy alloys have been prepared by melt quenching technique. Various crystallization parameters, such as onset (Tc) and peak (Tp) crystallization temperatures, activation energy of crystallization (Ec) and Avrami exponent (n) have been determined for these alloys. Tc and Tp have been determined directly from the non-isothermal differential scanning calorimeter (DSC) thermograms. The value of Ec has been calculated from the variation of both Tc and Tp with the heating rate (β) according to Kissinger, Takhor, Augis-Bennett and Ozawa models while Augis-Bennett method has been used to deduce the value of n for the studied samples. The obtained values of the crystallization parameters have been correlated with the character and the energy of the chemical bonds through the calculation of the heteronuclear bond energies of the constituent atoms using Pauling principle. In addition to that, Tichy-Ticha model was used to estimate the mean bond energy of the average cross-linking per atom , the average bond energy per atom of the remaining matrix , and the overall mean bond energy of the studied glasses. Results reveal that both of Tc and Tp decreases with increases Sn content. This is may be attributed to the decreasing in the overall mean bond energy . Besides, the plot of Ec (and also Tg) against was found to be non linear, which contradicts the well known linear correlation between Ec and Tg with as suggested by Tichy-Ticha model. This discrepancy may be due to the fact that the Tichy-Ticha linear correlation model was based on the assumption of covalent glassy network, while in the present glassy alloys, Se-Te binary doped with heavy elements such as Sn exhibit iono-covalent bonding. The calculated values of the ionicity are in support of this argument.

  8. Death Valley 1/sup 0/ x 2/sup 0/ NTMS area, California and Nevada. Data report: National Uranium Resource Evaluation program, hydrogeochemical and stream sediment reconnaissance

    SciTech Connect

    Cook, J.R.

    1980-04-01

    Results of ground water and stream sediment reconnaissance in the National Topographic Map Series (NTMS) Death Valley 1/sup 0/ x 2/sup 0/ quadrangle are presented. Stream sediment samples were collected from small streams at 649 sites or at a nominal density of one site per 20 square kilometers. Ground water samples were collected at 62 sites or at a nominal density of one site per 220 square kilometers. Neutron activation analysis results are given for uranium and 16 other elements in sediments, and for uranium and 8 other elements in ground water and surface water. Mass spectrometry results are given for helium in ground water. Field measurements and observations are reported for each site. Analytical data and field measurements are presented in tables and maps. Statistical summaries of data and a brief description of results are given. A generalized geologic map and a summary of the geology of the area are included. Key data from ground water sites include (1) water chemistry measurements (pH, conductivity, and alkalinity), (2) scintillometer readings, and (3) elemental analyses (U, Br, Cl, F, He, Mn, Na, and V). Supplementary data include site descriptors, tabulated analytical data for Al, Dy, and Mg, and histograms and cumulative frequency plots for all elements. Key data from stream sediment sites include (1) water quality measurements (2) important elemental analyses, (U, Th, Hf, Ce, Fe, Mn, Sc, Na, Ti, and V), and (3) scintillometer readings. Supplementary data from stream sediment sites include sample site descriptors (stream characteristics, vegetation, etc.), additional elemental analyses (Dy, Eu, La, Lu, Sm, and Yb), and histograms and cumulative frequency plots for all elements.

  9. SIMULTANEOUS IRIS AND HINODE/EIS OBSERVATIONS AND MODELING OF THE 2014 OCTOBER 27 X2.0 CLASS FLARE

    SciTech Connect

    Polito, V.; Reep, J. W.; Del Zanna, G.; Mason, H. E.; Reeves, K. K.; Golub, L.; Simões, P. J. A.; Dudík, J.

    2016-01-10

    We present a study of the X2-class flare which occurred on 2014 October 27 and was observed with the Interface Region Imaging Spectrograph (IRIS) and the EUV Imaging Spectrometer (EIS) on board the Hinode satellite. Thanks to the high cadence and spatial resolution of the IRIS and EIS instruments, we are able to compare simultaneous observations of the Fe xxi 1354.08 Å and Fe xxiii 263.77 Å high-temperature emission (≳10 MK) in the flare ribbon during the chromospheric evaporation phase. We find that IRIS observes completely blueshifted Fe xxi line profiles, up to 200 km s{sup −1} during the rise phase of the flare, indicating that the site of the plasma upflows is resolved by IRIS. In contrast, the Fe xxiii line is often asymmetric, which we interpret as being due to the lower spatial resolution of EIS. Temperature estimates from SDO/AIA and Hinode/XRT show that hot emission (log(T[K]) > 7.2) is first concentrated at the footpoints before filling the loops. Density-sensitive lines from IRIS and EIS give estimates of electron number density of ≳10{sup 12} cm{sup −3} in the transition region lines and 10{sup 10} cm{sup −3} in the coronal lines during the impulsive phase. In order to compare the observational results against theoretical predictions, we have run a simulation of a flare loop undergoing heating using the HYDRAD 1D hydro code. We find that the simulated plasma parameters are close to the observed values that are obtained with IRIS, Hinode, and AIA. These results support an electron beam heating model rather than a purely thermal conduction model as the driving mechanism for this flare.

  10. Europium mixed-valence, long-range magnetic order, and dynamic magnetic response in EuCu2(SixGe1 -x)2

    NASA Astrophysics Data System (ADS)

    Nemkovski, K. S.; Kozlenko, D. P.; Alekseev, P. A.; Mignot, J.-M.; Menushenkov, A. P.; Yaroslavtsev, A. A.; Clementyev, E. S.; Ivanov, A. S.; Rols, S.; Klobes, B.; Hermann, R. P.; Gribanov, A. V.

    2016-11-01

    In mixed-valence or heavy-fermion systems, the hybridization between local f orbitals and conduction band states can cause the suppression of long-range magnetic order, which competes with strong spin fluctuations. Ce- and Yb-based systems have been found to exhibit fascinating physical properties (heavy-fermion superconductivity, non-Fermi-liquid states, etc.) when tuned to the vicinity of magnetic quantum critical points by use of various external control parameters (temperature, magnetic field, chemical composition). Recently, similar effects (mixed-valence, Kondo fluctuations, heavy Fermi liquid) have been reported to exist in some Eu-based compounds. Unlike Ce (Yb), Eu has a multiple electron (hole) occupancy of its 4 f shell, and the magnetic Eu2 + state (4 f7 ) has no orbital component in the usual L S coupling scheme, which can lead to a quite different and interesting physics. In the EuCu2(SixGe1 -x)2 series, where the valence can be tuned by varying the Si/Ge ratio, it has been reported that a significant valence fluctuation can exist even in the magnetic order regime. This paper presents a detailed study of the latter material using different microscopic probes (XANES, Mössbauer spectroscopy, elastic and inelastic neutron scattering), in which the composition dependence of the magnetic order and dynamics across the series is traced back to the change in the Eu valence state. In particular, the results support the persistence of valence fluctuations into the antiferromagnetic state over a sizable composition range below the critical Si concentration xc≈0.65 . The sequence of magnetic ground states in the series is shown to reflect the evolution of the magnetic spectral response.

  11. Pocatello 1/sup 0/ x 2/sup 0/ NTMS area Idaho. Data report: National Uranium Resource Evaluation program, hydrogeochemical and stream sediment reconnaissance

    SciTech Connect

    Cook, J.R.

    1980-07-01

    This data report presents results of groundwater and stream/surface sediment reconnaissance in the National Topographic Map Series (NTMS) Pocatello 1/sup 0/ x 2/sup 0/ quadrangle. Surface samples (sediment) were collected from 1701 sites. The target sampling density was one site per 16 square kilometers (six square miles). Ground water samples were collected at 381 sites. Neutron activation analysis (NAA) results are given for uranium and 16 other elements in sediments, and for uranium and 9 other elements in ground water. Mass spectrometry results are given for helium in ground water. Field measurements and observations are reported for each site. Analytical data and field measurements are presented in tables and maps. Statistical summaries of data and a brief description of results are given. A generalized geologic map and a summary of the geology of the area are included. Data from sediment sites include: (1) stream water chemistry measurements where applicable (pH, conductivity, and alkalinity); and (2) elemental analyses for sediment samples (U, Th, Hf, Al, Ce, Dy, Eu, Fe, La, Lu, Mn, Sc, Sm, Na, Ti, V, and Yb). Sample site descriptors (stream characteristics, vegetation, etc.) are also tabulated. Areal distribution maps, histograms, and cumulative frequency plots for most elements; U/Th, U/Hf, and U/La ratios; and scintillometer readings for sediment sample sites are included on the microfiche. Data from groundwater sites include: (1) water chemistry measurements (pH, conductivity, and alkalinity); (2) physical measurements where applicable (water temperature, well description, and scintillometer reading); and (3) elemental analyses (U, Al, Br, Cl, Dy, F, He, Mg, Mn, Na, and V). Data from stream water sites include: (1) water chemistry measurements (pH, conductivity, and alkalinity); and (2) elemental analyses (U, Al, Br, Cl, F, Mg, Mn, Na, and V).

  12. Mas-related G protein coupled receptor-X2: A potential new target for modulating mast cell-mediated allergic and inflammatory diseases

    PubMed Central

    Ali, Hydar

    2017-01-01

    Mast cells (MCs) are tissue resident immune cells that are best known for their roles in allergic and inflammatory diseases. In addition to the high affinity IgE receptor (FcεRI), MCs express numerous G protein coupled receptors (GPCRs), which are the most common targets of drug therapy. Neurokinin 1 receptor (NK-1R) is expressed on MCs and contributes to IgE and non-IgE-mediated responses in mice. Although NK-1R antagonists are highly effective in modulating experimental allergic and inflammatory responses in mice they lack efficacy in humans. This article reviews recent findings that demonstrate that while neuropeptides (NPs) activate murine MCs via NK-1R and Mas related G protein coupled receptor B2 (MrgprB2), they activate human MCs via Mas-related G protein coupled receptor X2 (MRGPRX2). Interestingly, conventional NK-1R antagonists have off-target activity against mouse MrgprB2 but not human MRGPRX2. These findings suggest that the failure to translate studies with NK-1R antagonists from in vivo mouse studies to the clinic likely reflects their lack of effect on human MRGPRX2. A unique feature of MRGPRX2 that distinguishes it from other GPCRs is that it is activated by a diverse group of ligands that include; neuropeptides, cysteine proteases, antimicrobial peptides and cationic proteins released from activated eosinophils. Thus, the development of small molecule MRGPRX2-specific antagonists or neutralizing antibodies may provide new targets for the treatment of MC-mediated allergic and inflammatory diseases. PMID:28090599

  13. Inelastic scattering of He atoms and NO(X2Pi) molecules: the role of parity on the differential cross section.

    PubMed

    Aoiz, F J; Verdasco, J E; Brouard, M; Kłos, J; Marinakis, S; Stolte, S

    2009-12-31

    Quasiclassical trajectory (QCT) and quantum mechanical (QM) close-coupling calculations have been used to study the state-resolved rotationally inelastic scattering of NO(X(2)Pi(1/2),v = 0,j = 1/2,e/f) by He on the most recent ab initio potential energy surface of J. Kłos et al. [J. Chem. Phys. 2000, 112, 2195.]. Opacity functions, and integral and differential cross sections are reported at collision energies of 63 and 147 meV and compared with previous theoretical calculations and experimental measurements on this and other systems. The existence of double peaks in the QCT and QM differential cross sections is examined in detail. While at a collision energy of 147 meV two rotational peaks appear in both the QCT and open-shell QM results, only a single peak is found in the QM calculations at the lower collision energy. The double peaks in the quantum-state-resolved differential cross sections (DCS) are found to be closely related to structure found in the corresponding state-resolved opacity functions. The structure in the QCT and QM DCSs is attributed to a flattening of the potential energy surface for sideways approach of He to the near-symmetric NO(X) molecule, and in both sets of calculations, it is shown to arise from a specific odd term in the expansion of the intermolecular potential. Although significant differences are found between the QCT and QM data in the forward scattered direction, and for higher final rotational levels, reflecting differences in the nature of the rotational rainbows observed in these two methods, in general, the QCT calculations are shown to give similar results to quantum theory. Furthermore, they provide valuable clues as to the mechanism of rotational energy transfer in this system.

  14. Percolating hierarchical defect structures drive phase transformation in Ce1-x Gd x O2-x/2: a total scattering study.

    PubMed

    Scavini, Marco; Coduri, Mauro; Allieta, Mattia; Masala, Paolo; Cappelli, Serena; Oliva, Cesare; Brunelli, Michela; Orsini, Francesco; Ferrero, Claudio

    2015-09-01

    A new hierarchical approach is presented for elucidating the structural disorder in Ce1-x Gd x O2-x/2 solid solutions on different scale lengths. The primary goal of this investigation is to shed light on the relations between the short-range and the average structure of these materials via an analysis of disorder on the mesocopic scale. Real-space (pair distribution function) and reciprocal-space (Rietveld refinement and microstructure probing) analysis of X-ray powder diffraction data and electron spin resonance (ESR) investigations were carried out following this approach. On the local scale, Gd- and Ce-rich droplets (i.e. small regions a few ångströms wide) form, exhibiting either a distorted fluorite (CeO2) or a C-type (Gd2O3) structure in the whole compositional range. These droplets can then form C-type nanodomains which, for Gd concentrations x Gd ≤ 0.25, are embedded in the fluorite matrix. At the site percolation threshold p C for a cubic lattice (x Gd = p C ≃ 0.311), C-type nanodomains percolate inside each crystallite and a structural phase transformation is observed. When this occurs, the peak-to-peak ESR line width ΔH pp shows a step-like behaviour, which can be associated with the increase in Gd-Gd dipolar interactions. A general crystallographic rationale is presented to explain the fluorite-to-C-type phase transformation. The approach shown here could be adopted more generally in the analysis of disorder in other highly doped materials.

  15. Europium mixed-valence, long-range magnetic order, and dynamic magnetic response in EuCu2(SixGe1-x)2

    DOE PAGES

    Nemkovski, Krill S.; Kozlenko, D. P.; Alekseev, Pavel A.; ...

    2016-11-01

    In mixed-valence or heavy-fermion systems, the hybridization between local f orbitals and conduction band states can cause the suppression of long-range magnetic order, which competes with strong spin uctuations. Ce- and Yb-based systems have been found to exhibit fascinating physical properties (heavy-fermion superconductivity, non-Fermi-liquid states, etc.) when tuned to the vicinity of magnetic quantum critical points by use of various external control parameters (temperature, magnetic eld, chemical composition). Recently, similar effects (mixed-valence, Kondo uctuations, heavy Fermi liquid) have been reported to exist in some Eu-based compounds. Unlike Ce (Yb), Eu has a multiple electron (hole) occupancy of its 4f shell,more » and the magnetic Eu2+ state (4f7) has no orbital component in the usual LS coupling scheme, which can lead to a quite different and interesting physics. In the EuCu2(SixGe1-x)2 series, where the valence can be tuned by varying the Si/Ge ratio, it has been reported that a significant valence uctuation can exist even in the magnetic order regime. This paper presents a detailed study of the latter material using different microscopic probes (XANES, Mossbauer spectroscopy, elastic and inelastic neutron scattering), in which the composition dependence of the magnetic order and dynamics across the series is traced back to the change in the Eu valence state. In particular, the results support the persistence of valence uctuations into the antiferromagnetic state over a sizable composition range below the critical Si concentration xc ≈ 0:65. In conclusion, the sequence of magnetic ground states in the series is shown to re ect the evolution of the magnetic spectral response.« less

  16. LiFePO4 Nanostructures Fabricated from Iron(III) Phosphate (FePO4 x 2H2O) by Hydrothermal Method.

    PubMed

    Saji, Viswanathan S; Song, Hyun-Kon

    2015-01-01

    Electrode materials having nanometer scale dimensions are expected to have property enhancements due to enhanced surface area and mass/charge transport kinetics. This is particularly relevant to intrinsically low electronically conductive materials such as lithium iron phosphate (LiFePO4), which is of recent research interest as a high performance intercalation electrode material for Li-ion batteries. Many of the reported works on LiFePO4 synthesis are unattractive either due to the high cost of raw materials or due to the complex synthesis technique. In this direction, synthesis of LiFePO4 directly from inexpensive FePO4 shows promise.The present study reports LiFePO4 nanostructures prepared from iron (III) phosphate (FePO4 x 2H2O) by precipitation-hydrothermal method. The sintered powder was characterized by X-ray diffractometry (XRD), X-ray photoelectron spectroscopy (XPS), Inductive coupled plasma-optical emission spectroscopy (ICP-OES), and Electron microscopy (SEM and TEM). Two synthesis methods, viz. bulk synthesis and anodized aluminum oxide (AAO) template-assisted synthesis are reported. By bulk synthesis, micro-sized particles having peculiar surface nanostructuring were formed at precipitation pH of 6.0 to 7.5 whereas typical nanosized LiFePO4 resulted at pH ≥ 8.0. An in-situ precipitation strategy inside the pores of AAO utilizing the spin coating was utilized for the AAO-template-assisted synthesis. The template with pores filled with the precipitate was subsequently subjected to hydrothermal process and high temperature sintering to fabricate compact rod-like structures.

  17. Global triplet potential energy surfaces for the N2(X(1)Σ) + O((3)P) → NO(X(2)Π) + N((4)S) reaction.

    PubMed

    Lin, Wei; Varga, Zoltan; Song, Guoliang; Paukku, Yuliya; Truhlar, Donald G

    2016-01-14

    This work presents two global triplet potential energy surfaces (PESs) for the high-energy reaction N2(X(1)Σ) + O((3)P) → NO(X(2)Π) + N((4)S)-in particular, for the lowest energy (3)A' and (3)A″ PESs. In order to obtain the energies needed for fitting analytic surfaces, we carried out multireference configuration interaction (MRCI) calculations based on wave functions obtained from state-averaged complete active space self-consistent field calculations for 2280 geometries for the three lowest (3)A″ states and for 2298 geometries for the three lowest (3)A' states. The lowest-energy (3)A' and (3)A″ states at each of these geometries were then improved by applying the dynamically scaled external correlation (DSEC) method to all MRCI points, and the resulting DSEC energies were used for construction of the ground-state PES for each symmetry. The many-body component of the DSEC energies for the three-dimensional (3)A' and (3)A″ PESs was then least-squares fitted in terms of permutationally invariant polynomials in mixed exponential-Gaussian bond order variables. The global and local minima as well as the transition structures of both the (3)A' and the (3)A″ analytic PES were explored. In agreement with previous work, we find that the reverse reaction is barrierless on the (3)A″ surface along the minimum energy pathway. However, we have explored several new local minima and transition structures on the (3)A' PES. Furthermore, based on the newly found minima and transition structures, two independent reaction mechanisms have been illustrated for the reaction path on the (3)A' PES. The analytic surfaces may be used for dynamics calculations of electronically adiabatic reactive scattering and energy transfer.

  18. Percolating hierarchical defect structures drive phase transformation in Ce1−xGdxO2−x/2: a total scattering study

    PubMed Central

    Scavini, Marco; Coduri, Mauro; Allieta, Mattia; Masala, Paolo; Cappelli, Serena; Oliva, Cesare; Brunelli, Michela; Orsini, Francesco; Ferrero, Claudio

    2015-01-01

    A new hierarchical approach is presented for elucidating the structural disorder in Ce1−xGdxO2−x/2 solid solutions on different scale lengths. The primary goal of this investigation is to shed light on the relations between the short-range and the average structure of these materials via an analysis of disorder on the mesocopic scale. Real-space (pair distribution function) and reciprocal-space (Rietveld refinement and microstructure probing) analysis of X-ray powder diffraction data and electron spin resonance (ESR) investigations were carried out following this approach. On the local scale, Gd- and Ce-rich droplets (i.e. small regions a few ångströms wide) form, exhibiting either a distorted fluorite (CeO2) or a C-type (Gd2O3) structure in the whole compositional range. These droplets can then form C-type nanodomains which, for Gd concentrations x Gd ≤ 0.25, are embedded in the fluorite matrix. At the site percolation threshold p C for a cubic lattice (x Gd = p C ≃ 0.311), C-type nanodomains percolate inside each crystallite and a structural phase transformation is observed. When this occurs, the peak-to-peak ESR line width ΔH pp shows a step-like behaviour, which can be associated with the increase in Gd–Gd dipolar interactions. A general crystallographic rationale is presented to explain the fluorite-to-C-type phase transformation. The approach shown here could be adopted more generally in the analysis of disorder in other highly doped materials. PMID:26306193

  19. Residual Chemoresponsiveness to Acids in the Superior Laryngeal Nerve in “Taste-Blind” (P2X2/P2X3 Double-KO) Mice

    PubMed Central

    Ohkuri, Tadahiro; Horio, Nao; Stratford, Jennifer M.; Finger, Thomas E.; Ninomiya, Yuzo

    2012-01-01

    Mice lacking both the P2X2 and the P2X3 purinergic receptors (P2X-dblKO) exhibit loss of responses to all taste qualities in the taste nerves innervating the tongue. Similarly, these mice exhibit a near total loss of taste-related behaviors in brief access tests except for a near-normal avoidance of acidic stimuli. This persistent avoidance of acids despite the loss of gustatory neural responses to sour was postulated to be due to continued responsiveness of the superior laryngeal (SL) nerve. However, chemoresponses of the larynx are attributable both to taste buds and to free nerve endings. In order to test whether the SL nerve of P2X-dblKO mice remains responsive to acids but not to other tastants, we recorded responses from the SL nerve in wild-type (WT) and P2X-dblKO mice. WT mice showed substantial SL responses to monosodium glutamate, sucrose, urea, and denatonium—all of which were essentially absent in P2X-dblKO animals. In contrast, the SL nerve of P2X-dblKO mice exhibited near-normal responses to citric acid (50 mM) although responsiveness of both the chorda tympani and the glossopharyngeal nerves to this stimulus were absent or greatly reduced. These results are consistent with the hypothesis that the residual avoidance of acidic solutions by P2X-dblKO mice may be attributable to the direct chemosensitivity of nerve fibers innervating the laryngeal epithelium and not to taste. PMID:22362867

  20. Growth and luminescent properties of Lu 2SiO 5:Ce and (Lu 1- xGd x) 2SiO 5:Ce single crystalline films

    NASA Astrophysics Data System (ADS)

    Zorenko, Yu.; Gorbenko, V.; Savchyn, V.; Voznyak, T.; Grinyov, B.; Sidletskiy, O.; Kurtsev, D.; Fedorov, A.; Baumer, V.; Nikl, M.; Mares, J. A.; Beitlerova, A.; Prusa, P.; Kucera, M.

    2011-12-01

    Single crystalline films (SCF) of Lu 2SiO 5:Ce (LSO:Ce), (Lu 1- xGd x) 2SiO 5:Ce (LGSO:Ce) and LGSO:Ce,Tb orthosilicates with thickness of 2.5-21 μm were crystallized by liquid phase epitaxy method onto undoped LSO substrates from melt-solution based on PbO-B 2O 3 flux. The concentration of Gd was varied in the range of x=0.2-0.7 formula units (f.u.). In the case of LGSO:Ce SCF growth we do not use any additional doping for reducing the misfit between the SCF and substrate lattices. The luminescence and scintillation properties of LSO:Ce, LGSO:Ce and LGSO:Ce,Tb SCFs were mutually compared and confronted with the performance of reference LSO:Ce and LYSO:Ce crystals. With increasing Gd content the luminescence spectrum of LGSO:Ce SCF is gradually red-shifted with respect to that of LSO:Ce SCF. The LY of (Lu 1- xGd x)SO:Ce SCF becomes lower in comparison with that for LSO:Ce SC at increasing Gd content in the range of x=0.2-0.7 f.u. The peculiarities of luminescence properties of LSO:Ce and LGSO:Ce SCFs in comparison with crystal analogs are explained by the different distribution of Ce 3+ over Lu1 and Lu2 positions of LSO host and by the influence of Pb 2+ contamination coming from the flux used for the film growth.

  1. High-throughput screening platform for natural product-based drug discovery against 3 neglected tropical diseases: human African trypanosomiasis, leishmaniasis, and Chagas disease.

    PubMed

    Annang, F; Pérez-Moreno, G; García-Hernández, R; Cordon-Obras, C; Martín, J; Tormo, J R; Rodríguez, L; de Pedro, N; Gómez-Pérez, V; Valente, M; Reyes, F; Genilloud, O; Vicente, F; Castanys, S; Ruiz-Pérez, L M; Navarro, M; Gamarro, F; González-Pacanowska, D

    2015-01-01

    African trypanosomiasis, leishmaniasis, and Chagas disease are 3 neglected tropical diseases for which current therapeutic interventions are inadequate or toxic. There is an urgent need to find new lead compounds against these diseases. Most drug discovery strategies rely on high-throughput screening (HTS) of synthetic chemical libraries using phenotypic and target-based approaches. Combinatorial chemistry libraries contain hundreds of thousands of compounds; however, they lack the structural diversity required to find entirely novel chemotypes. Natural products, in contrast, are a highly underexplored pool of unique chemical diversity that can serve as excellent templates for the synthesis of novel, biologically active molecules. We report here a validated HTS platform for the screening of microbial extracts against the 3 diseases. We have used this platform in a pilot project to screen a subset (5976) of microbial extracts from the MEDINA Natural Products library. Tandem liquid chromatography-mass spectrometry showed that 48 extracts contain potentially new compounds that are currently undergoing de-replication for future isolation and characterization. Known active components included actinomycin D, bafilomycin B1, chromomycin A3, echinomycin, hygrolidin, and nonactins, among others. The report here is, to our knowledge, the first HTS of microbial natural product extracts against the above-mentioned kinetoplastid parasites.

  2. Bacon Production: Evaluating Potential Processing and Management Practices to Improve Product Quality of Industrial Sliced Bacon

    ERIC Educational Resources Information Center

    Scramlin, Stacy Maurine

    2009-01-01

    The objective of this research was to determine areas of improvement to bacon production. The first trial was conducted to determine differences in belly and bacon quality traits in pigs fed ractopamine (RAC) for various durations during finishing. A 2x3x2 factorial arrangement was used with barrows and gilts, fed RAC levels of 0.0, 5.0, or 7.4…

  3. H + O3 Fourier-transform infrared emission and laser absorption studies of OH(X2Pi) radical - An experimental dipole moment function and state-to-state Einstein A coefficients

    NASA Technical Reports Server (NTRS)

    Nelson, David D., Jr.; Schiffman, Aram; Nesbitt, David J.; Orlando, John J.; Burkholder, James B.

    1990-01-01

    FTIR emission/absorption spectroscopy is used to measure the relative intensities of 88 pairs of rovibrational transitions of OH(X2Pi) distributed over 16 vibrational bands. The experimental technique used to obtain the Einstein A ratios is discussed. The dipole moment function which follows from the intensity ratios along with Einstein A coefficients calculated from mu(r) is presented.

  4. H + O3 Fourier-transform infrared emission and laser absorption studies of OH(X2Pi) radical - An experimental dipole moment function and state-to-state Einstein A coefficients

    NASA Astrophysics Data System (ADS)

    Nelson, David D., Jr.; Schiffman, Aram; Nesbitt, David J.; Orlando, John J.; Burkholder, James B.

    1990-11-01

    FTIR emission/absorption spectroscopy is used to measure the relative intensities of 88 pairs of rovibrational transitions of OH(X2Pi) distributed over 16 vibrational bands. The experimental technique used to obtain the Einstein A ratios is discussed. The dipole moment function which follows from the intensity ratios along with Einstein A coefficients calculated from mu(r) is presented.

  5. Sperm gamma-aminobutyric acid type A receptor delta subunit (GABRD) and its interaction with purinergic P2X2 receptors in progesterone-induced acrosome reaction and male fertility.

    PubMed

    Xu, Wenming; Wang, Ke; Chen, Yan; Liang, Xiao Tong; Yu, Mei Kuen; Yue, Huanxun; Tierney, M Louise

    2017-02-13

    The mechanism underlying the non-genomic action of progesterone in sperm functions and related Ca2+ mobilisation remains elusive. Herein we report the expression of gamma-aminobutyric acid type A receptor delta subunit (GABRD) in human and rodent sperm and its involvement in mediating the progesterone-induced acrosome reaction. GABRD was localised in the sperm head/neck region. A δ(392-422)-specific inhibitory peptide against GABRD blocked the progesterone-induced acrosome reaction and the associated increase in intracellular Ca2+. Similarly, an inhibitory effect against both progesterone-induced Ca2+ influx and the acrosome reaction was observed with a P2X2 receptor antagonist. The lack of synergism between the GABRD and P2X2 inhibitors suggests that these two receptors are playing a role in the same pathway. Furthermore, a co-immunoprecipitation experiment demonstrated that GABRD could undergo protein-protein interactions with the Ca2+-conducting P2X2 receptor. This interaction between the receptors could be reduced following progesterone (10μM) inducement. Significantly reduced GABRD expression was observed in spermatozoa from infertile patients with reduced acrosome reaction capacity, suggesting that normal expression of GABRD is critical for the sperm acrosome reaction and thus male fertility. The results of the present study indicate that GABRD represents a novel progesterone receptor or modulator in spermatozoa that is responsible for the progesterone-induced Ca2+ influx required for the acrosome reaction through its interaction with the P2X2 receptor.

  6. Yttrium complexes incorporating the chelating diamides [ArN(CH2)xNAr]2- (Ar = C6H3-2,6-iPr2, x= 2, 3) and their unusual reaction with phenylsilane.

    PubMed

    Avent, Anthony G; Cloke, F Geoffrey N; Elvidge, Benjamin R; Hitchcock, Peter B

    2004-04-07

    Novel yttrium chelating diamide complexes [(Y[ArN(CH(2))(x)NAr](Z)(THF)(n))(y)] (Z = I, CH(SiMe(3))(2), CH(2)Ph, H, N(SiMe(3))(2), OC(6)H(3)-2,6-(t)Bu(2)-4-Me; x = 2, 3; n = 1 or 2; y = 1 or 2) were made via salt metathesis of the potassium diamides (x = 3 (3), x = 2 (4)) and yttrium triiodide in THF (5,10), followed by salt metathesis with the appropriate potassium salt (6-9, 11-13, 15) and further reaction with molecular hydrogen (14). 6 and 11(Z = CH(SiMe(3))(2), x = 2, 3) underwent unprecedented exchange of yttrium for silicon on reaction with phenylsilane to yield (Si[ArN(CH(2))(x)NAr]PhH) (x = 2 (16), 3) and (Si[CH(SiMe(3))(2)]PhH(2)).

  7. The crystal chemistry of Ca(10-y)(SiO4)3(SO4)3Cl(2-x-2y)F(x) ellestadite.

    PubMed

    Fang, Yanan; Ritter, Clemens; White, Tim

    2011-12-19

    Fluor-chlorellestadite solid solutions Ca(10)(SiO(4))(3)(SO(4))(3)Cl(2-x)F(x), serving as prototype crystalline matrices for the fixation of hazardous fly ash, were synthesized and characterized by powder X-ray and neutron diffraction (PXRD and PND), transmission electron microscopy (TEM), and Fourier transform infrared spectroscopy (FTIR). The lattice parameters of the ellestadites vary linearly with composition and show the expected shrinkage of unit cell volume as fluorine (IR = 1.33 Å) displaces chlorine (IR = 1.81 Å). FTIR spectra indicate little or no OH(-) in the solid solutions. All compositions conform to P6(3)/m symmetry where F(-) is located at the 2a (0, 0, (1)/(4)) position, while Cl(-) is displaced out of the 6h Ca(2) triangle plane and occupies 4e (0, 0, z) split positions with z ranging from 0.336(3) to 0.4315(3). Si/S randomly occupy the 6h tetrahedral site. Ellestadites rich in Cl (x ≤ 1.2) show an overall deficiency in halogens (<2 atom per formula unit), particularly Cl as a result of CaCl(2) volatilization, with charge balance achieved by the creation of Ca vacancies (Ca(2+) + 2Cl(-) →□(Ca) + 2□(Cl)) leading to the formula Ca(10-y)(SiO(4))(3)(SO(4))(3)Cl(2-x-2y)F(x). For F-rich compositions the vacancies are found at Ca(2), while for Cl-rich ellestadites, vacancies are at Ca(1). It is likely the loss of CaCl(2) which leads tunnel anion vacancies promotes intertunnel positional disorder, preventing the formation of a P2(1)/b monoclinic dimorph, analogous to that reported for Ca(10)(PO(4))(6)Cl(2). Trends in structure with composition were analyzed using crystal-chemical parameters, whose systematic variations served to validate the quality of the Rietveld refinements.

  8. RE(AuAl2)nAl2(AuxSi1-x)2: a new homologous series of quaternary intermetallics grown from aluminum flux.

    PubMed

    Latturner, Susan E; Kanatzidis, Mercouri G

    2008-03-17

    The combination of early rare earth metals (La- to Gd and Yb), gold, and silicon in molten aluminum results in the formation of intermetallic compounds with four related structures, forming a new homologous series: RE[AuAl2]nAl2(AuxSi(1-x))2, with x approximately 0.5 for most of the compound and n = 0, 1, 2, and 3. Because of the highly reducing nature of the Al flux, rare earth oxides instead of metals can also be used in these reactions. These compounds grow as large plate-like crystals and have tetragonal structure types that can be viewed as intergrowths of the BaAl4 structure and antifluorite-type AuAl2 layers. REAuAl2Si materials form with the BaAl4 structure type in space group I4/mmm (cell parameters for the La analogue are a = 4.322(2) A, c = 10.750(4) A, and Z = 2). REAu2Al4Si forms in a new ordered superstructure of the KCu4S3 structure type, with space group P4/nmm and cell parameters of the La analogue of a = 6.0973(6) A, c = 8.206(1) A, and Z = 2. REAu3Al6Si forms in a new I4/mmm symmetry structure type with cell parameters of a = 4.2733(7) A, c = 22.582(5) A, and Z = 2 for RE = Eu. The end member of the series, REAu4Al8Si, forms in space group P4/mmm with cell parameters for the Yb analogue of a = 4.2294(4) A, c = 14.422(2) A, and Z = 1. New intergrowth structures containing two different kinds of AuAl2 layers were also observed. The magnetic behavior of all these compounds is derived from the RE ions. Comparison of the susceptibility data for the europium compounds indicates a switch from 3-D magnetic interactions to 2-D interactions as the size of the AuAl2 layer increases. The Yb ions in YbAu(2.91)Al(6)Si(1.09) and YbAu(3.86)Al(8)Si(1.14) are divalent at high temperatures.

  9. Experimental studies of light-induced charge transfer and charge redistribution in (X(2)-bipyridine)Re(I)(CO)(3)Cl complexes.

    PubMed

    Walters, Keith A; Kim, Young-Jin; Hupp, Joseph T

    2002-06-03

    Stark emission spectroscopy, transient DC photoconductivity (TDCP), and ground-state dipole moment measurements have been used to evaluate charge transfer (CT) within various (X(2)-bipyridine)Re(I)(CO)(3)Cl complexes following (3)MLCT excited-state formation. The Stark technique reports on vector differences between ground-state (mu(g)) and excited-state (mu(e)) dipole moments, while TDCP, when combined with independently obtained mu(g) information, reports on scalar differences. For systems featuring collinear, same-signed ground- and excited-state dipole moments, the scalar and vector differences are equivalent. However, for the low symmetry systems studied here, they are distinctly different. The vector difference yields the effective adiabatic one-electron-transfer distance (R(12)), while the combined vector and scalar data yield information about dipole rotation upon ground-state/excited-state interconversion. For the systems examined, charge transfer distances are substantially smaller than geometric electron-donor/electron-acceptor site separation distances. The measured distances are significantly affected by changes in acceptor ligand substituent composition. Electron-donating substituents decrease CT distances, while electron-withdrawing substituents increase CT distances, as do aromatic substituents that are capable of expanding the bipyridyl ligand (acceptor ligand) pi system. The Stark measurements additionally indicate that the CT vector and the transition dipole moment are significantly orthogonal, a consequence of strong polarization of the Re-Cl bond (orthogonal to the metal/acceptor-ligand plane) in the ground electronic state and relaxation of the polarization in the upper state. The ground-state Re-Cl bond polarization is sufficiently large that the overall ground-state scalar dipole moment exceeds the overall excited-state scalar dipole moment, despite transfer of an electron from the metal center to the diimine ligand. This finding provides an

  10. A moments' analysis of quasi-exactly solvable systems: a new perspective on the sextic potential gx^6+bx^4+mx^2 +{\\beta \\over {x^2}}

    NASA Astrophysics Data System (ADS)

    Handy, Carlos R.; Vrinceanu, Daniel; Gupta, Rahul

    2014-07-01

    symmetry as the QES states: their lower order ν-moments must be zero. We demonstrate our results in the context of the two sextic potentials: Vsa(x) = x6 + mx2 + bx4 and Vss(x) = x6 + mx2 + b/x2.

  11. Nonsense codons in human beta-globin mRNA result in the production of mRNA degradation products.

    PubMed Central

    Lim, S K; Sigmund, C D; Gross, K W; Maquat, L E

    1992-01-01

    Human beta zero-thalassemic beta-globin genes harboring either a frameshift or a nonsense mutation that results in the premature termination of beta-globin mRNA translation have been previously introduced into the germ line of mice (S.-K. Lim, J.J. Mullins, C.-M. Chen, K. Gross, and L.E. Maquat, EMBO J. 8:2613-2619, 1989). Each transgene produces properly processed albeit abnormally unstable mRNA as well as several smaller RNAs in erythroid cells. These smaller RNAs are detected only in the cytoplasm and, relative to mRNA, are longer-lived and are missing sequences from either exon I or exons I and II. In this communication, we show by using genetics and S1 nuclease transcript mapping that the premature termination of beta-globin mRNA translation is mechanistically required for the abnormal RNA metabolism. We also provide evidence that generation of the smaller RNAs is a cytoplasmic process: the 5' ends of intron 1-containing pre-mRNAs were normal, the rates of removal of introns 1 and 2 were normal, and studies inhibiting RNA synthesis with actinomycin D demonstrated a precursor-product relationship between full-length mRNA and the smaller RNAs. In vivo, about 50% of the full-length species that undergo decay are degraded to the smaller RNAs and the rest are degraded to undetectable products. Exposure of erythroid cells that expressed a normal human beta-globin transgene to either cycloheximide or puromycin did not result in the generation of the smaller RNAs. Therefore, a drug-induced reduction in cellular protein synthesis does not reproduce this aspect of cytoplasmic mRNA metabolism. These data suggest that the premature termination of beta-globin mRNA translation in either exon I or exon II results in the cytoplasmic generation of discrete mRNA degradation products that are missing sequences from exon I or exons I and II. Since these degradation products appear to be the same for all nonsense codons tested, there is no correlation between the position of

  12. Conformational Isomerism of trans-[Pt(NH2C6H11)2I2] and the Classical Wernerian Chemistry of [Pt(NH2C6H11)4]X2 (X = Cl, Br, I)1

    PubMed Central

    Johnstone, Timothy C.; Lippard, Stephen J.

    2012-01-01

    X-ray crystallographic analysis of the compound trans-[Pt(NH2C6H11)2I2] revealed the presence of two distinct conformers within one crystal lattice. This compound was studied by variable temperature NMR spectroscopy to investigate the dynamic interconversion between these isomers. The results of this investigation were interpreted using physical (CPK) and computational (molecular mechanics and density functional theory) models. The conversion of the salts [Pt(NH2C6H11)4]X2 into trans-[Pt(NH2C6H11)2X2] (X = Cl, Br, I) was also studied and is discussed here with an emphasis on parallels to the work of Alfred Werner. PMID:23554544

  13. Nickel Ions Selectively Inhibit Lipopolysaccharide-Induced Interleukin-6 Production by Decreasing Its mRNA Stability

    PubMed Central

    Asakawa, Sanki; Kishimoto, Yu; Takano, Takayuki; Okita, Kiyuki; Takakuwa, Shiho; Sato, Taiki; Hiratsuka, Masahiro; Takeuchi, Osamu; Hirasawa, Noriyasu

    2015-01-01

    Nickel (Ni) ions easily elute from many alloys and elicit inflammation and allergies. Previous studies have shown that infections due to the implantation of medical devices cause inflammation and enhance the elution of Ni ions (Ni2+). However, cross-talk between infection- and Ni2+-induced signaling pathways has not yet been elucidated in detail. In the present study, we investigated the effects of Ni2+ on the lipopolysaccharide (LPS)-induced production of cytokines in a LPS-induced air pouch-type inflammation model in BALB/c mice and the murine macrophage cell line RAW264. We demonstrated that Ni2+ inhibited the LPS-induced production of interleukin (IL)-6, but not that of tumor necrosis factor (TNF)-α both in vivo and in vitro. This inhibitory effect was also observed with cobalt ion (Co2+), but not with chloride ion (Cl-), zinc ion (Zn2+), or palladium ion (Pd2+), and was highly selective to the production of IL-6. Ni2+ did not inhibit the activation of ERK1/2, p38 MAPK, or JNK. Although Ni2+ decreased IL-6 mRNA levels, it failed to inhibit the LPS-induced activation of the IL-6 promoter. An experiment using actinomycin D, a transcription inhibitor, revealed that Ni2+ decreased the stability of IL-6 mRNA. Moreover, Ni2+ inhibited the LPS-induced expression of Arid5a, but not regnase-1. These results demonstrated that Ni2+ may have selectively inhibited the LPS-induced production of IL-6 by decreasing the Arid5a-dependent stabilization of IL-6 mRNA. PMID:25742007

  14. Quasiclassical trajectory study of the N(4S)+NO(X2Π)→N2(X1Σ+ g)+O(3P) reaction rate coefficient

    NASA Astrophysics Data System (ADS)

    Duff, J. W.; Sharma, R. D.

    Rate coefficients for the N+NO→N2+O reaction are calculated over the temperature range 100-1000 K by a quasiclassical trajectory calculation on the ³A″ potential energy surface (PES) based on the semiempirical London-Eyring-Polanyi-Sato (LEPS) formalism, neglecting spin-orbit coupling. The calculated results are only slightly temperature dependent and are in excellent agreement with available experimental data and the JPL recommended rate coefficient [DeMore et al., 1994] at room temperature. The present results do not support either the rate coefficient arrived at by Siskind and Rusch [1992] from modeling of the terrestrial thermosphere or the one arrived at by Fox [1994] from modeling of the Martian thermosphere. Possible causes of the discrepancies between the calculated rate coefficients and those arrived at from modeling studies may be additional NO production (loss or loss and production) mechanisms in the Martian (terrestrial) thermosphere.

  15. Hydrogen production

    NASA Technical Reports Server (NTRS)

    England, C.; Chirivella, J. E.; Fujita, T.; Jeffe, R. E.; Lawson, D.; Manvi, R.

    1975-01-01

    The state of hydrogen production technology is evaluated. Specific areas discussed include: hydrogen production fossil fuels; coal gasification processes; electrolysis of water; thermochemical production of hydrogen; production of hydrogen by solar energy; and biological production of hydrogen. Supply options are considered along with costs of hydrogen production.

  16. Oxygen trapping and cation site-splitting in Y(2-x)PrxO3+δ (0.0≤x<2.0 and δ≤1.0)

    NASA Astrophysics Data System (ADS)

    Lussier, Joey A.; Devitt, Graham; Szkop, Kevin M.; Bieringer, Mario

    2016-10-01

    The reduction and oxidation of the solid solution Y2-xPrxO3+δ (0.0≤x<2.0 and δ≤1.0) is investigated with emphasis on potential solid state electrolyte applications in solid oxide fuel cells. The fully reduced solid solution Y2-xPrxO3 (0.0≤x<2.0) crystallizes in the bixbyite structure (Ia 3 bar) . The oxidized solid solution Y2-xPrxO3+δ (0.0≤x<1.4) forms bixbyite phases (Ia 3 bar) whereas Y2-xPrxO3+δ (1.4≤x<2) compositions form fully disordered defect fluorite structures (Fm 3 bar m) with variable oxide defect concentrations. The two cation positions are investigated in detail using synchrotron powder X-ray and time of flight neutron diffraction data. In the bixbyite structures the 8c cation site splits into the 16c cation site and the 24d cation position migrates toward the ideal fluorite coordination upon oxidation. Reductive in-situ diffraction experiments reveal the co-existence of the fluorite and bixbyite structure only in a narrow temperature range. During oxidation of the bixbyite phase a new 16c oxide anion site is populated. The impact of the 16c oxide site population on the cation sublattice is being discussed.

  17. Sinoporphyrin sodium, a novel sensitizer, triggers mitochondrial-dependent apoptosis in ECA-109 cells via production of reactive oxygen species

    PubMed Central

    Wang, Haiping; Wang, Xiaobing; Zhang, Shaoliang; Wang, Pan; Zhang, Kun; Liu, Quanhong

    2014-01-01

    Background Sonodynamic therapy (SDT) is a promising method that uses ultrasound to activate certain chemical sensitizers for the treatment of cancer. The purpose of this study was to investigate the sonoactivity of a novel sensitizer, sinoporphyrin sodium (DVDMS), and its sonotoxicity in an esophageal cancer (ECA-109) cell line. Methods The fluorescence intensity of DVDMS, hematoporphyrin, protoporphyrin IX, and Photofrin II was detected by fluorescence microscopy and flow cytometry. Generation of singlet oxygen was measured using a 1, 3-diphenylisobenzofuran experiment. A 3-(4, 5-dimethylthiazol-2-yl)-2, 5-diphenyl tetrazolium bromide assay was used to examine cell viability. Production of reactive oxygen species (ROS) and destabilization of the mitochondrial membrane potential were assessed by flow cytometry. Apoptosis was analyzed using Annexin-PE/7-amino-actinomycin D staining. Confocal microscopy was performed to assess mitochondrial damage and identify release of cytochrome C after treatment. Western blots were used to determine expression of oxidative stress-related and apoptosis-associated protein. Ultrastructural changes in the cell were studied by scanning electron microscopy. Results DVDMS showed higher autofluorescence intensity and singlet oxygen production efficiency compared with other photosensitizers in both cancerous and normal cells. Compared with hematoporphyrin, DVDMS-mediated SDT was more cytotoxic in ECA-109 cells. Abundant intracellular ROS was found in the SDT groups, and the cytotoxicity induced by SDT was effectively remitted by ROS scavengers. DVDMS located mainly to the mitochondria of ECA-109 cells, which were seriously damaged after exposure to SDT. Release of cytochrome C, an increased rate of apoptosis, and activated apoptosis protein were detected in the SDT group. In addition, relatively severe cell damage was observed on scanning electron microscopy after treatment with DVDMS and SDT. Conclusion These results suggest that DVDMS

  18. Intestinal microbial affects of yeast products on weaned and transport stressed pigs

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Study objectives were to determine effects of a commercially available yeast product (XPC, Diamond-V Mills) and stress of transportation on total Enterobacteriaceae, Escherichia coli, coliforms, and Lactobacilli populations in the intestine of weaning pigs. In a RCB design with a 2 x 2 factorial ar...

  19. Analytical results for crystalline electric field eigenvalues of trivalent rare-earth ions using computer algebra: application to the magnetism of PrX2 ( X = Mg, Al, Ru, Rh, Pt)

    NASA Astrophysics Data System (ADS)

    Sobral, R. R.; Guimarães, A. P.; da Silva, X. A.

    1994-10-01

    The eigenvalues of the Crystalline Electric Field (CEF) Hamiltonian with cubic symmetry are analytically obtained for trivalent rare-earth ions of ground state J= {5}/{2}, {7}/{2}, 4, {9}/{2}, 6, {15}/{2} and 8, via a Computer Algebra approach. In the presence of both CEF and an effective exchange field, Computer Algebra still allows a partial factorization of the characteristic polynomial equation associated to the total Hamiltonian, a result of interest to the study of the magnetic behavior of rare-earth intermetallics. An application to the PrX2 intermetallic compounds ( X = Mg, Al, Ru, Rh, Pt) is reported.

  20. Specific heat, differential susceptibility and electrical resistivity of PrX2 (X = Ir, Pt, Rh and Ru) laves phase compounds at temperatures 1.4 K < T < 40 K

    NASA Astrophysics Data System (ADS)

    van Dongen, J. C. M.; van der Linden, H. W. M.; Greidanus, F. J. A. M.; Nieuwenhuys, G. J.; Mydosh, J. A.; Buschow, K. H. J.

    1980-01-01

    Specific heat and differential susceptibility data of PrX 2 (X = Ir, Pt, Rh, and Ru) compounds reveal phase transitions at Tc = (11.2 ± 0.5) K, (7.7 ± 0.5) K, (7.9 ± 0.5) K and (33.9 ± 0.5) K for X = Ir, Pt, RhandRu, resp. The electrical resistivity drops markedly below Tc, and the dϱ/d T versus T curve is similar to that of the specific heat.

  1. Theory and X-ray Absorption Spectroscopy for Aluminum Coordination Complexes – Al K-Edge Studies of Charge and Bonding in (BDI)Al, (BDI)AlR2, and (BDI)AlX2 Complexes.

    PubMed

    Altman, Alison B; Pemmaraju, C D; Camp, Clément; Arnold, John; Minasian, Stefan G; Prendergast, David; Shuh, David K; Tyliszczak, Tolek

    2015-08-19

    Polarized aluminum K-edge X-ray absorption near edge structure (XANES) spectroscopy and first-principles calculations were used to probe electronic structure in a series of (BDI)Al, (BDI)AlX2, and (BDI)AlR2 coordination compounds (X = F, Cl, I; R = H, Me; BDI = 2,6-diisopropylphenyl-β-diketiminate). Spectral interpretations were guided by examination of the calculated transition energies and polarization-dependent oscillator strengths, which agreed well with the XANES spectroscopy measurements. Pre-edge features were assigned to transitions associated with the Al 3p orbitals involved in metal-ligand bonding. Qualitative trends in Al 1s core energy and valence orbital occupation were established through a systematic comparison of excited states derived from Al 3p orbitals with similar symmetries in a molecular orbital framework. These trends suggested that the higher transition energies observed for (BDI)AlX2 systems with more electronegative X(1-) ligands could be ascribed to a decrease in electron density around the aluminum atom, which causes an increase in the attractive potential of the Al nucleus and concomitant increase in the binding energy of the Al 1s core orbitals. For (BDI)Al and (BDI)AlH2 the experimental Al K-edge XANES spectra and spectra calculated using the eXcited electron and Core-Hole (XCH) approach had nearly identical energies for transitions to final state orbitals of similar composition and symmetry. These results implied that the charge distributions about the aluminum atoms in (BDI)Al and (BDI)AlH2 are similar relative to the (BDI)AlX2 and (BDI)AlMe2 compounds, despite having different formal oxidation states of +1 and +3, respectively. However, (BDI)Al was unique in that it exhibited a low-energy feature that was attributed to transitions into a low-lying p-orbital of b1 symmetry that is localized on Al and orthogonal to the (BDI)Al plane. The presence of this low-energy unoccupied molecular orbital on electron-rich (BDI)Al distinguishes

  2. Influence of Li content on the structure and electrochemical performance of Li1+xNi0.25Mn0.75O2.25+x/2 cathode for Li-ion battery

    NASA Astrophysics Data System (ADS)

    Liu, Yunjian; Gao, Yanyong; Dou, Aichun

    2014-02-01

    The cathode materials of Li1+xNi0.25Mn0.75O2.25+x/2 (x = 0, 0.1, 0.2, 0.3, 0.4 and 0.5) with different content of lithium have been synthesized in this paper. The materials with different lithium content show distinct differences in structure and charge/discharge characteristics. The layered-spinel composite structure has been detected in the Li1+xNi0.25Mn0.75O2.25+x/2 electrodes, when the lithium content is lower than 1.5. The coulomb efficiency of Li1+xNi0.25Mn0.75O2.25+x/2 electrode is increased with the content of lithium decreasing. The cyclic and rate performances of layered-spinel composite electrodes Li1+xNi0.25Mn0.75O2.25+x/2 (0 ≤ x ≤ 0.4) are better than that of layered Li1.5Ni0.25Mn0.75O2.5. Among the layered-spinel composite electrodes, Li1.3Ni0.25Mn0.75O2.4 electrode shows the best capacity retention (98.2% for 40 cycles) and rate capacity (102 mAh g-1 at 10 C), while that of Li1.5Ni0.25Mn0.75O2.5 are 94.5% for 40 cycles and 11 mAh g-1 at 10 C. Electrochemical impedance spectroscopy (EIS) results show that the charge transfer resistance (Rct) of Li1.3Ni0.25Mn0.75O2.4 electrode is lower than that of Li1.5Ni0.25Mn0.75O2.5. The enhanced cyclic and rate performances of Li1.3Ni0.25Mn0.75O2.4 cathode are attributed to the lower Rct, three-dimensional interstitial space of LiNi0.5Mn1.5O4 phase and the lower content of Li2MnO3 in Li1.3Ni0.25Mn0.75O2.4 cathode material.

  3. The Conterminous United States Mineral Assessment Program; background information to accompany folio of geologic, geochemical, geophysical, remote sensing, and mineral resource maps of the Wallace 1 degree x 2 degrees Quadrangle, Montana and Idaho

    USGS Publications Warehouse

    Harrison, Jack Edward; Leach, David L.; Kleinkopf, M. Dean; Long, Carl L.; Rowan, Larry C.; Marvin, Richard F.

    1986-01-01

    The Wallace 1? x 2 quadrangle in Montana and Idaho was studied by an interdisciplinary research team that included geologists, geochemists, and geophysicists, as well as specialists in isotopic dating and remote sensing. The basic data resulting from these studies, as well as the final metallic mineral resource assessments, are published as a folio of maps, figures, tables, and accompanying discussions. This circular provides background information on the studies and lists the published components of the resource appraisal. An extensive bibliography lists both specific and general references that apply to this geoscience study of the quadrangle.

  4. Regulation of human lung fibroblast glycosaminoglycan production by recombinant interferons, tumor necrosis factor, and lymphotoxin.

    PubMed Central

    Elias, J A; Krol, R C; Freundlich, B; Sampson, P M

    1988-01-01

    Mononuclear cells may be important regulators of fibroblast glycosaminoglycan (GAG) biosynthesis. However, the soluble factors mediating these effects, the importance of intercytokine interactions in this regulation and the mechanisms of these alterations remain poorly understood. We analyzed the effect of recombinant (r) tumor necrosis factor (TNF), lymphotoxin (LT), and gamma, alpha, and beta 1 interferons (INF-gamma, -alpha and -beta 1), alone and in combination, on GAG production by normal human lung fibroblasts. rTNF, rLT, and rINF-gamma each stimulated fibroblast GAG production. In addition, rIFN-gamma synergized with rTNF and rLT to further augment GAG biosynthesis. In contrast, IFN-alpha A, -alpha D, and -beta 1 neither stimulated fibroblast GAG production nor interacted with rTNF or rLT to regulate GAG biosynthesis. The effects of the stimulatory cytokines and cytokine combinations were dose dependent and were abrogated by the respective monoclonal antibodies. In addition, these cytokines did not cause an alteration in the distribution of GAG between the fibroblast cell layer and supernatant. However, the stimulation was at least partially specific for particular GAG moieties with hyaluronic acid biosynthesis being markedly augmented without a comparable increase in the production of sulfated GAGs. Fibroblast prostaglandin production did not mediate these alterations since indomethacin did not decrease the stimulatory effects of the cytokines. In contrast, protein and mRNA synthesis appeared to play a role since the stimulatory effects of the cytokines were abrogated by cyclohexamide and actinomycin D, respectively. In addition, the cytokines and cytokine combinations increased cellular hyaluronate synthetase activity in proportion to their effects on hyaluronic acid suggesting that induction of this enzyme(s) is important in this stimulatory process. These studies demonstrate that IFN-gamma, TNF, and LT are important stimulators of fibroblast GAG

  5. Co-cultivation of Streptomyces californicus and Stachybotrys chartarum stimulates the production of cytostatic compound(s) with immunotoxic properties

    SciTech Connect

    Penttinen, Piia . E-mail: Piia.Penttinen@ktl.fi; Pelkonen, Jukka; Huttunen, Kati; Hirvonen, Maija-Riitta

    2006-12-15

    We have recently shown that the actinobacterium Streptomyces californicus and the fungus Stachybotrys chartarum originating from moisture damaged buildings possess both immunotoxic and immunostimulatory characteristics, which are synergistically potentiated by microbial interaction. In the search for the causative agent(s) behind the immunotoxicity, the cytostatic effects of the co-cultivated spores of S. californicus and S. chartarum were compared to those caused by widely used cytostatic agents produced by streptomycetes. The RAW264.7 macrophages were exposed to four doses of doxorubicin (DOX), actinomycin D (AMD), mitomycin C (MMC) or phleomycin (PHLEO) for 24 h. Kinetics of the spores of the co-cultivated and the separately cultivated microbes (1 x 10{sup 6} spores/ml) was compared to DOX (0.15 {mu}M). Apoptotic responses were analyzed by measuring DNA content and mitochondria membrane depolarization with flow cytometer, and by the fluorometric caspase-3 assay. The present data indicate that interactions during co-cultivation of S. californicus and S. chartarum stimulate the production of an unidentified cytostatic compound(s) capable of inducing mitochondria mediated apoptosis and cell cycle arrest at S-G{sub 2}/M. The spores of co-cultivated microbes caused a 4-fold collapse of mitochondrial membrane potential and an almost 6-fold caspase-3 activation and DNA fragmentation when compared to control. Similar responses were induced by DNA cleaving compounds, especially DOX and AMD, at the relatively low concentrations, but not the spores of the same microbes when they were grown separately. These data suggest that when growing in the same habitat, interactions between S. californicus and S. chartarum stimulates the production of an unknown cytostatic compound(s) which evoke immunotoxic effects similar to those by chemotherapeutic drugs.

  6. Co-cultivation of Streptomyces californicus and Stachybotrys chartarum stimulates the production of cytostatic compound(s) with immunotoxic properties.

    PubMed

    Penttinen, Piia; Pelkonen, Jukka; Huttunen, Kati; Hirvonen, Maija-Riitta

    2006-12-15

    We have recently shown that the actinobacterium Streptomyces californicus and the fungus Stachybotrys chartarum originating from moisture damaged buildings possess both immunotoxic and immunostimulatory characteristics, which are synergistically potentiated by microbial interaction. In the search for the causative agent(s) behind the immunotoxicity, the cytostatic effects of the co-cultivated spores of S. californicus and S. chartarum were compared to those caused by widely used cytostatic agents produced by streptomycetes. The RAW264.7 macrophages were exposed to four doses of doxorubicin (DOX), actinomycin D (AMD), mitomycin C (MMC) or phleomycin (PHLEO) for 24 h. Kinetics of the spores of the co-cultivated and the separately cultivated microbes (1x10(6) spores/ml) was compared to DOX (0.15 muM). Apoptotic responses were analyzed by measuring DNA content and mitochondria membrane depolarization with flow cytometer, and by the fluorometric caspase-3 assay. The present data indicate that interactions during co-cultivation of S. californicus and S. chartarum stimulate the production of an unidentified cytostatic compound(s) capable of inducing mitochondria mediated apoptosis and cell cycle arrest at S-G(2)/M. The spores of co-cultivated microbes caused a 4-fold collapse of mitochondrial membrane potential and an almost 6-fold caspase-3 activation and DNA fragmentation when compared to control. Similar responses were induced by DNA cleaving compounds, especially DOX and AMD, at the relatively low concentrations, but not the spores of the same microbes when they were grown separately. These data suggest that when growing in the same habitat, interactions between S. californicus and S. chartarum stimulates the production of an unknown cytostatic compound(s) which evoke immunotoxic effects similar to those by chemotherapeutic drugs.

  7. Ab initio calculations on potential energy curves and radiative lifetimes for the band systems A(2)Π-X(2)Σ(+) of magnesium monohalides MgX (X=F, Cl, Br, I).

    PubMed

    Wu, Dong-lan; Tan, Bin; Qin, Jiu-ying; Wan, Hui-jun; Xie, An-dong; Yan, Bing; Ding, Da-jun

    2015-11-05

    Ab initio calculations on potential energy curves (PECs), spectroscopic constants, transition dipole moments, radiative transition probabilities and lifetimes for the ground state (X(2)Σ(+)) and the first excited state (A(2)Π) of MgX (X=F, Cl, Br, I) molecules are determined by high-level internally contracted multi-reference configuration interaction (ic-MRCI) method. In order to improve the calculation, the Davidson modification (+Q) and scalar relativistic correction are included. The present results show that most of spectroscopic constants are in accordance with the measurements, the equilibrium internuclear distance Re increases while the other spectroscopic constants reduce along with the increasing of the atomic number of the halogen from F to I. Diagonal vibrational transitions are found to be dominant for the A(2)Π→X(2)Σ(+) system of MgX molecules. The corresponding radiative lifetimes of ν'=0 are computed to be 7.24, 9.98, 18.94 and 22.72 ns for MgF, MgCl, MgBr, and MgI, respectively. The calculated result of MgF molecule is in good agreement with the recent theoretical result of 7.16 ns, with a small relative error percent of 1.11%.

  8. Antihydrogen production

    SciTech Connect

    Rizzini, Evandro Lodi; Venturelli, Luca; Zurlo, Nicola

    2008-08-08

    Antihydrogen production in ATHENA is analyzed more carefully. The most important peculiarities of the different experimental situations are discussed. The protonium production via the first matter-antimatter chemical reaction is commented too.

  9. Mild hydrothermal synthesis, crystal structure, spectroscopic and magnetic properties of the [M{sub x}{sup II}M{sub 2.5-x}{sup III}(H{sub 2}O){sub 2}(HP{sup III}O{sub 3}){sub y}(P{sup V}O{sub 4}){sub 2-y}F; M=Fe, x=2.08, y=1.58; M=Co, Ni, x=2.5, y=2] compounds

    SciTech Connect

    Orive, Joseba

    2009-08-15

    The [M{sub x}{sup II}M{sub 2.5-x}{sup III}(H{sub 2}O){sub 2}(HP{sup III}O{sub 3}){sub y}(P{sup V}O{sub 4}){sub 2-y}F; M=Fe (1), x=2.08, y=1.58; M=Co (2), x=2.5, y=2; Ni (3), x=2.5, y=2] compounds have been synthesized using mild hydrothermal conditions at 170 deg. C during five days. Single-crystals of (1) and (2), and polycrystalline sample of (3) were obtained. These isostructural compounds crystallize in the orthorhombic system, space group Aba2, with a=9.9598(2), b=18.8149(4) and c=8.5751(2) A for (1), a=9.9142(7), b=18.570(1) and c=8.4920(5) A for (2) and a=9.8038(2), b=18.2453(2) and c=8.4106(1) A for (3), with Z=8 in the three phases. An X-ray diffraction study reveals that the crystal structure is composed of a three-dimensional skeleton formed by [MO{sub 5}F] and [MO{sub 4}F{sub 2}] (M=Fe, Co and Ni) octahedra and [HPO{sub 3}] tetrahedra, partially substituted by [PO{sub 4}] tetrahedra in phase (1). The IR spectra show the vibrational modes of the water molecules and those of the (HPO{sub 3}){sup 2-} tetrahedral oxoanions. The thermal study indicates that the limit of thermal stability of these phases is 195 deg. C for (1) and 315 deg. C for (2) and (3). The electronic absorption spectroscopy shows the characteristic bands of the Fe(II), Co(II) and Ni(II) high-spin cations in slightly distorted octahedral geometry. Magnetic measurements indicate the existence of global antiferromagnetic interactions between the metallic centers with a ferromagnetic transition in the three compounds at 28, 14 and 21 K for (1), (2) and (3), respectively. Compound (1) exhibits a hysteresis loop with remnant magnetization and coercive field values of 0.72 emu/mol and 880 Oe, respectively. - Abstract: Polyhedral view of the crystal structure of the [M{sub x}{sup II}M{sub 2.5-x}{sup III}(H{sub 2}O){sub 2}(HP{sup III}O{sub 3}){sub y}(P{sup IV}O{sub 4}){sub 2-y}F; M=Fe, x=2.08, y=1.58; M=Co, Ni, x=2.5, y=2] compounds showing the sheets along the [001] direction.

  10. AU-rich elements in the mRNA 3'-untranslated region of the rat receptor for advanced glycation end products and their relevance to mRNA stability.

    PubMed

    Caballero, José Juan; Girón, María Dolores; Vargas, Alberto Manuel; Sevillano, Natalia; Suárez, María Dolores; Salto, Rafael

    2004-06-18

    Several putative polyadenylation sequences and an adenylate plus timidylate rich element (ARE) are present at the 3' end of the rat advanced glycation end products receptor (RAGE) gene. Two transcripts are generated by the use of alternative polyadenylation sequences, one containing the ARE sequence in its 3'-untranslated region (3'-UTR). Transfections of CHO-k1 or NRK cells with constructs expressing the 3'-UTRs of the transcripts fused to a green fluorescence protein mRNA show that the ARE sequence has a negative effect on protein expression correlating with a decrease in the amount of mRNA, as shown in CHO-k1 transfected cells. When transfected cells were incubated in the presence of Actinomycin D the amount of fluorescence decreased in cells transfected with the ARE sequence, indicating that this sequence induces lower mRNA stability. Thus, alternative polyadenylation signals and an ARE sequence provide a novel mechanism for the regulation of the rat RAGE gene expression.

  11. Enhanced production of antimicrobial compounds by three salt-tolerant actinobacterial strains isolated from the Sundarbans in a niche-mimic bioreactor.

    PubMed

    Sarkar, Sreyashi; Saha, Malay; Roy, Debashis; Jaisankar, Parasuraman; Das, Satadal; Gauri Roy, Lalita; Gachhui, Ratan; Sen, Tuhinadri; Mukherjee, Joydeep

    2008-01-01

    A novel reactor system, the rotating disk bioreactor (RDBR), was used to mimic the niche environmental conditions of three salt-tolerant estuarine actinobacteria isolated from the Sundarbans region off the Bay of Bengal, designated MS310 (99% similar in its 16S rRNA gene sequence to Streptomyces parvallus), MS3/20 and MS1/7. The RDBR, operated at a rotational speed of one revolution per day, 50% submergence of discs, aeration rate of 1.0 vvm, and with a sucrose-containing medium, faithfully mimicked the intertidal estuarine habitat of these marine isolates, and supported biofilm formation and production of antimicrobial metabolites-in particular, actinomycin D by MS310. Onset of antibiotic production by MS310 occurs at 20 h in the RDBR compared to 55 h in a conventional stirred-tank bioreactor (STBR). Furthermore, peak antimicrobial activity is attained much earlier in the RDBR with MS310 (at 45 h) than that reported with a terrestrial strain of S. parvallus grown in a STBR (at 144 h). Peak antimicrobial activity of metabolites produced by MS1/7 and MS3/20 were also attained earlier in the RDBR (at 25 and 12 h, respectively) than in a STBR (at 80 and 28 h, respectively). Antibiotic synthesis in the three isolates, in general, appears to be associated with their growth. Overall, the RDBR may be considered the preferred alternative to the STBR for production of antimicrobials by biofilm-forming estuarine bacteria for its much higher surface/volume ratio, lower costs, and easy operability.

  12. Advanced glycation end products promote the proliferation and migration of primary rat vascular smooth muscle cells via the upregulation of BAG3.

    PubMed

    Li, Cunshu; Chang, Ye; Li, Yuan; Chen, Shuang; Chen, Yintao; Ye, Ning; Dai, Dongxue; Sun, Yingxian

    2017-03-28

    The present study was aimed to investigate the role of reactive oxygen species (ROS) on advanced glycation end product (AGE)-induced proliferation and migration of vascular smooth muscle cells (VSMCs) and whether Bcl-2‑associated athanogene 3 (BAG3) is involved in the process. Primary rat VSMCs were extracted and cultured in vitro. Cell viability was detected by MTT assay and cell proliferation was detected by EdU incorporation assay. Cell migration was detected by wound healing and Transwell assays. BAG3 was detected using qPCR and western blot analysis. Transcriptional and translational inhibitors (actinomycin D and cycloheximide, respectively) were used to study the effect of AGEs on the expression of BAG3 in VSMCs. Lentiviral plasmids containing short hairpin RNA (shRNA) against rat BAG3 or control shRNA were transduced into VSMCs. Cellular ROS were detected by 2',7'-dichlorofluorescein diacetate (DCFH-DA) staining. Mitochondrial membrane potential was detected by tetramethylrhodamine methyl ester (TMRE) staining. AGEs significantly increased the expression of BAG3 in a dose-and time-dependent manner. Furthermore, AGEs mainly increased the expression of BAG3 mRNA by increasing the RNA synthesis rather than inhibiting the RNA translation. BAG3 knockdown reduced the proliferation and migration of VSMCs induced by AGEs. BAG3 knockdown reduced the generation of ROS and sustained the mitochondrial membrane potential of VSMCs. Reduction of ROS production by N-acetylcysteine (NAC), a potent antioxidant, also reduced the proliferation and migration of VSMCs. On the whole, the present study demonstrated for the first time that AGEs could increase ROS production and promote the proliferation and migration of VSMCs by upregulating BAG3 expression. This study indicated that BAG3 should be considered as a potential target for the prevention and/or treatment of vascular complications of diabetes.

  13. Manganese(II)-azido/thiocyanato complexes of naphthylazoimidazoles: X-ray structures of Mn(β-NaiEt) 2(X) 2 (β-NaiEt = 1-ethyl-2-(naphthyl-β-azo)imidazole; X=N3-, NCS -)

    NASA Astrophysics Data System (ADS)

    Das, D.; Chand, B. G.; Wu, J. S.; Lu, T.-H.; Sinha, C.

    2007-10-01

    Manganese(II)-naphthylazoimidazole complexes using N3- and NCS - as counter ions are characterized as Mn(β-NaiR) 2(X) 2(β-NaiEt = 1-alkyl-2-(naphthyl-β-azo)imidazole; X=N3-, NCS -). The ligands are unsymmetric N(imidazole), N(azo) chelating agents. The microanalytical, spectral (FT-IR, UV-vis), magnetic (bulk moment and EPR) and electrochemical data establish the structure and composition of the complexes. The single crystal X-ray diffraction studies of Mn(β-NaiEt) 2(N 3) 2 and Mn(β-NaiEt) 2(NCS) 2(β-NaiEt = 1-ethyl-2-(naphthyl-β-azo)imidazole) have confirmed the three dimensional structure of the complexes. Cyclic voltammetry exhibits high potential Mn(III)/Mn(II) couple along with azo reductions. The EPR spectra show usual pattern.

  14. Effect of Post-Weld Heat Treatment on Mechanical and Electrochemical Properties of Gas Metal Arc-Welded 316L (X2CrNiMo 17-13-2) Stainless Steel

    NASA Astrophysics Data System (ADS)

    Muhammad, F.; Ahmad, A.; Farooq, A.; Haider, W.

    2016-10-01

    In the present research work, corrosion behavior of post-weld heat-treated (PWHT) AISI 316L (X2CrNiMo 17-13-2) specimens joined by gas metal arc welding is compared with as-welded samples by using potentiodynamic polarization technique. Welded samples were PWHT at 1323 K for 480 s and quenched. Mechanical properties, corrosion behavior and microstructures of as-welded and PWHT specimens were investigated. Microstructural studies have shown grain size refinement after PWHT. Ultimate tensile strength and yield strength were found maximum for PWHT samples. Bend test have shown that PWHT imparted ductility in welded sample. Fractographic analysis has evidenced ductile behavior for samples. Potentiodynamic polarization test was carried out in a solution composed of 1 M H2SO4 and 1 N NaCl. Corrosion rate of weld region was 127.6 mpy, but after PWHT, it was decreased to 13.12 mpy.

  15. Multigap superconductivity and strong electron-boson coupling in Fe-based superconductors: a point-contact Andreev-reflection study of Ba(Fe(1-x)Co(x))2As2 single crystals.

    PubMed

    Tortello, M; Daghero, D; Ummarino, G A; Stepanov, V A; Jiang, J; Weiss, J D; Hellstrom, E E; Gonnelli, R S

    2010-12-03

    Directional point-contact Andreev-reflection measurements in Ba(Fe(1-x)Co(x))2As2 single crystals (T(c) = 24.5 K) indicate the presence of two superconducting gaps with no line nodes on the Fermi surface. The point-contact Andreev-reflection spectra also feature additional structures related to the electron-boson interaction, from which the characteristic boson energy Ω(b)(T) is obtained, very similar to the spin-resonance energy observed in neutron scattering experiments. Both the gaps and the additional structures can be reproduced within a three-band s ± Eliashberg model by using an electron-boson spectral function peaked at Ω(0) = 12 meV ≃ Ω(b)(0).

  16. An ab initio global potential-energy surface for NH2(A(2)A') and vibrational spectrum of the Renner-Teller A(2)A'-X(2)A" system.

    PubMed

    Zhou, Shulan; Li, Zheng; Xie, Daiqian; Lin, Shi Ying; Guo, Hua

    2009-05-14

    A global potential-energy surface for the first excited electronic state of NH(2)(A(2)A(')) has been constructed by three-dimensional cubic spline interpolation of more than 20,000 ab initio points, which were calculated at the multireference configuration-interaction level with the Davidson correction using the augmented correlation-consistent polarized valence quadruple-zeta basis set. The (J=0) vibrational energy levels for the ground (X(2)A(")) and excited (A(2)A(')) electronic states of NH(2) were calculated on our potential-energy surfaces with the diagonal Renner-Teller terms. The results show a good agreement with the experimental vibrational frequencies of NH(2) and its isotopomers.

  17. Existence of orbital order and its fluctuation in superconducting Ba(Fe(1-x)Co(x))2As2 single crystals revealed by x-ray absorption spectroscopy.

    PubMed

    Kim, Y K; Jung, W S; Han, G R; Choi, K-Y; Chen, C-C; Devereaux, T P; Chainani, A; Miyawaki, J; Takata, Y; Tanaka, Y; Oura, M; Shin, S; Singh, A P; Lee, H G; Kim, J-Y; Kim, C

    2013-11-22

    We performed temperature dependent x-ray linear dichroism (XLD) experiments on an iron pnictide system, Ba(Fe(1-x)Co(x))2As2 with x=0.00, 0.05, 0.08, and 0.10 to experimentally verify the existence of orbital ordering (OO). Substantial XLD was observed in polarization dependent x-ray absorption spectra of Fe L edges. By exploiting the difference in the temperature dependent behaviors, OO, and structure contributions to XLD could be clearly separated. The observed OO signal indicates different occupation numbers for d(yz) and d(zx) orbitals and supports the existence of ferro-OO. The results are also consistent with the theoretical prediction. Moreover, we find substantial OO signal well above the structural and magnetic transition temperatures, which suggests the existence of strong OO fluctuations up to high temperatures.

  18. Possibility of combining ferroelectricity and Rashba-like spin splitting in monolayers of the 1 T -type transition-metal dichalcogenides M X2 (M = Mo ,W ;X =S ,Se ,Te )

    NASA Astrophysics Data System (ADS)

    Bruyer, Emilie; Di Sante, Domenico; Barone, Paolo; Stroppa, Alessandro; Whangbo, Myung-Hwan; Picozzi, Silvia

    2016-11-01

    First-principles calculations were carried out to explore the possible coupling between spin-polarized electronic states and ferroelectric polarization in monolayers of transition-metal dichalcogenides M X2 (M =Mo ,W ;X =S ,Se ,Te ) with distorted octahedrally coordinated 1 T structures. For d2 metal ions, two competing metal clustering effects can take place, where metal ions are arranged in trimers or zigzag chains. Among these, the former structural distortion comes along with an improper ferroelectric phase which persists in the monolayer limit. Switchable Rashba-like spin-polarization features are predicted in the trimerized polytype, which can be permanently tuned by acting on its ferroelectric properties. The polar trimerized structure is found to be stable for 1 T -MoS2 only, while the nonpolar polytype with zigzag metal clustering is predicted to stabilize for other transition-metal dichalcogenides with d2 metal ions.

  19. Ab initio calculation of half-metallic ferromagnetism in zinc-blende (CaN)1/(AlN)x and (CaN)x/(AlN)1 (x=2, 3) (001) superlattices

    NASA Astrophysics Data System (ADS)

    Song, Xiao-Sheng; Dong, Shengjie; Zhao, Hui

    2014-09-01

    Using first-principles density functional theory calculations, we investigated the electronic and magnetic properties of zinc-blende (CaN)1/(AlN)x and (CaN)x/(AlN)1 (x=2, 3) superlattices in the (001) direction. With a total magnetic moment of 1 μB for (CaN)1/(AlN)2, 2 μB for (CaN)2/(AlN)1, 1 μB for (CaN)1/(AlN)3, and 3 μB for (CaN)3/(AlN)1, these four superlattices show very stable half-metallic ferromagnetic behaviors. The analysis of the partial density of states reveals that the p-d hybridization of N and Ca is responsible for the magnetization. Besides, it is shown that the magnetic properties of these multilayer superlattices can be controlled by changing the ratio of the layer numbers of dissimilar materials.

  20. Electrocatalytic reduction of organohalides mediated by the dihalo-molybdenum phosphinic complexes trans-[MoX(2)(Ph(2)PCH(2)CH(2)PPh(2))(2)] (X = I, Br)-A mechanistic study by cyclic voltammetry digital simulation.

    PubMed

    Martins, Natércia C T; Guedes da Silva, M Fátima C; Wanke, Riccardo; Pombeiro, Armando J L

    2009-06-28

    trans-[MoX(2)(dppe)(2)] (X = I, Br) act as inner-sphere electron-transfer mediators for the electrocatalytic reduction of organohalides RX to R + X(-), at both Mo(II)--> Mo(I) and Mo(I)--> Mo(0) reduction processes, each of them involving a cathodically induced heterolytic metal-halide bond cleavage with liberation of X(-) that is followed by addition of RX to the metal. Digital simulation of cyclic voltammetry at a wide range of scan rates allowed to estimate the rate constants of the various chemical steps for both electrocatalytic cycles, which were compared in terms of Mo-X bond dissociation energies, electronic and stereochemical effects.

  1. Distribution of P2Y2 receptors in the guinea pig enteric nervous system and its coexistence with P2X2 and P2X3 receptors, neuropeptide Y, nitric oxide synthase and calretinin.

    PubMed

    Xiang, Zhenghua; Burnstock, Geoffrey

    2005-11-01

    The distribution of P2Y2 receptor-immunoreactive (ir) neurons and fibers and coexistence of P2Y2 with P2X2 and P2X3 receptors, neuropeptide Y (NPY), calretinin (CR), calbindin (CB) and nitric oxide synthase (NOS) was investigated with immunostaining methods. The results showed that P2Y2-ir neurons and fibers were distributed widely in myenteric and submucous plexuses of the guinea pig stomach corpus, jejunum, ileum and colon. The typical morphology of P2Y2-ir neurons was a long process with strong positive staining on the same side of the cell body. The P2Y2-ir neurons could be Dogiel type 1. About 40-60% P2X3-ir neurons were immunoreactive for P2Y2 in the myenteric plexus and all the P2X3-ir neurons expressed the P2Y2 receptor in the submucosal plexus; almost all the NPY-ir neurons and the majority of CR-ir neurons were also immunoreactive for P2Y2, especially in the myenteric plexus of the small intestine; no P2Y2-ir neurons were immunoreactive for P2X2 receptors, CB and NOS. It is shown for the first time that S type/Dogiel type 1 neurons with fast P2X and slow P2Y receptor-mediated depolarizations could be those neurons expressing both P2Y2-ir and P2X3-ir and that they are widely distributed in myenteric and submucosal plexuses of guinea pig gut.

  2. Influences of the substituents on the M-M bonding in Cp4Al4 and Cp2M2X2 (M = B, Al, Ga; Cp = C5H5, X = halogen).

    PubMed

    Lu, Feifei; Li, Xiaoyan; Sun, Zheng; Zeng, Yanli; Meng, Lingpeng

    2015-08-21

    Although the geometries of CpAl4 (Cp* = C5Me5) and Cp4Al4 (Cp = C5H5) are similar, CpAl4 is more stable than Cp4Al4. CpAl2I2 is the first complex involving an Al(ii)-Al(ii) bond to be supported by Cp-type ligands. In this work, the stability of CpAl4 and Cp4Al4 (Cp = C5H5), the nature of M-M bonding in Cp2M2X2 (M = B, Al, and Ga), and the influences of the X atom on the M-M bonds have been analyzed and compared within the framework of the atoms in molecules (AIM) theory, electron localization function (ELF), energy decomposition analysis (EDA), and natural bond orbital (NBO) analysis. The calculated results show that CpAl4 is more stable than Cp4Al4 because of HH interactions between the methyl groups on the same and different Cp rings and not because of the Al-Al bonds. In Cp2M2X2, the B-B bond is stronger than the Al-Al and Ga-Ga bonds. The B-B bond is most consistent with covalent bonding, whereas the Al-Al and Ga-Ga bonds are more consistent with metallic bonding. The strengths of the B-B bond increase in the sequence X = F, Cl, Br, and I, whereas the Al-Al and Ga-Ga bonds decrease in the sequence X = F, Cl, Br, and I. The different change tendencies arise from the different M-M bonds and the orbital interactions between atoms X and M.

  3. Synthesis, crystal structure and characterization of new 12H hexagonal perovskite-related oxides Ba 6M2Na 2X2O 17 ( M=Ru, Nb, Ta, Sb; X=V, Cr, Mn, P, As)

    NASA Astrophysics Data System (ADS)

    Quarez, Eric; Abraham, Francis; Mentré, Olivier

    2003-11-01

    The new Ba 6Ru 2Na 2X2O 17 ( X=V, Mn) compounds have been prepared by electrosynthesis in molten NaOH and their crystal structures have been refined from single crystals X-ray diffraction, space group P6 3/ mmc, Z=2, for X=V: a =5.8506(1) Å, c =29.6241(4) Å, R1=4.76%, for X=Mn : a =5.8323(1) Å, c =29.5299(3) Å, R1=3.48%. The crystal structure is a 12H-type perovskite with a ( c' cchcc) 2 stacking sequence of [BaO 3] c, [BaO 3] h and [BaO 2] c' layers. The tridimensional edifice is formed by blocks of Ru 2O 9 dimers that share corners with NaO 6 octahedra. These blocks sandwich double sheets of X5+O 4 tetrahedra. Several isotypic Ba 6M5+2Na 2X5+2O 17 materials ( X=V, Cr, Mn, P, As) and ( M=Ru, Nb, Ta, Sb) have been prepared by solid state reaction and characterized by Rietveld analysis. The magnetic and electric properties have been investigated and show besides the Ru 5+2O 9 typical intradimer antiferromagnetic couplings, discrepancies of both χ and ρ versus T at 50 and 100 K for Ba 6Ru 2Na 2X2O 17 ( X=V, As). In this work, a review of the identified Ru-hexagonal perovskite materials is also reported in order to overview the wide variety of possibilities in the field of new compounds synthesis.

  4. Aircraft Structural Maintenance AFSC 458X2

    DTIC Science & Technology

    1993-04-01

    Donald J. Cochran, Inventory Development Specialist, developed the survey instrument; Captain Douglas K. Eads, Occupational Ana- lyst, analyzed the data...0767 INSTALL OR REMOVE PULL-THROUGH BLIND RIVETS 68 M694 REMOVE DAMAGED AREAS USING AVATION SNIPS 68 F256 APPLY AERODYNAMIC SMOOTHING COMPOUNDS 66 0740

  5. Production plunger

    SciTech Connect

    Krueger, W.E.

    1989-12-26

    This patent describes a production plunger for reciprocating in the production string of wells that produce both liquid and gas to assist the gas in lifting produced liquid to the surface. It comprises: a body for reciprocating in the production string of a well. The body having a passageway extending longitudinally through the body, and means closing the lower end of the passageway, seal means carried by the body for engaging the inner wall of the production string to prevent fluid flowing upwardly in the production string from passing between the body and the inner wall of the production string, a valve seat in the passageway, a valve member located in the passageway in the body above the valve seat, a valve rod connected to the valve member and extending downwardly through the valve seat, and a piston connected to the valve rod below the valve seat.

  6. Swine production.

    PubMed

    Plain, Ronald L; Lawrence, John D

    2003-07-01

    The US swine industry is large and growing. The quantity of pork desired by consumers of US pork is growing at the rate of 1.5%/y. New production systems and new technology have enabled production per sow to grow at a rate of 4% annually in recent years. Consequently, the number of sows in the United States is declining. Because productivity growth is outpacing demand growth, the deflated price of hogs and pork is declining. Hog production and prices continue to exhibit strong seasonal and cyclic patterns. Pork production is usually lowest in the summer and highest in the fall. Production and prices tend to follow 4-year patterns. The US swine industry continues to evolve toward fewer and larger producers who rely on contracts for both hog production and marketing. In 2000, over half of the hogs marketed were from approximately 156 firms marketing more than 50,000 head annually. These producers finished 60% of their production in contract facilities. Over 90% of their marketings were under contract or were owned by a packer. These producers expressed a high level of satisfaction with hog production. Both they and their contract growers were satisfied with production contracts. These large producers were satisfied with their marketing contracts and planned to continue them in the future. The hog industry has changed a great deal in the last decade. There is little reason to believe this rapid rate of change will not continue. This swine industry is highly competitive and profit driven. Profit margins are too small to allow producers the luxury of ignoring new technology and innovative production systems. Consequently, hog production will continue its rapid evolution from traditional agriculture to typical industry.

  7. Household Production.

    ERIC Educational Resources Information Center

    Scholl, Kathleen K.; And Others

    1982-01-01

    Compiled to give readers information on current research in household production, this special issue focuses on the family as a provider of goods and services. It includes five feature articles, a summary of a survey of American farm women, and a brief analysis of sources of time-use data for estimating the value of household production. Covered…

  8. University Productivity

    ERIC Educational Resources Information Center

    Sommers, Alexis N.

    1977-01-01

    Academic communities are under intense pressures to balance expenditures with income. Strategies are offered here to increase productivity drawn from the experiences of the University of New Haven. Emphasis is on revenue-cost ratios, class size, and faculty teaching schedules as primary factors in productivity improvement. (Editor/LBH)

  9. Hydrogen Production

    SciTech Connect

    2014-09-01

    This 2-page fact sheet provides a brief introduction to hydrogen production technologies. Intended for a non-technical audience, it explains how different resources and processes can be used to produce hydrogen. It includes an overview of research goals as well as “quick facts” about hydrogen energy resources and production technologies.

  10. Analysis of the Rotationally Resolved, Non-Degenerate (a''_1) and Degenerate (e') Vibronic Bands in the tilde{A}^2E'' ← tilde{X}^2A'_2 Transition of NO_3.

    NASA Astrophysics Data System (ADS)

    Tran, Henry; Miller, Terry A.

    2016-06-01

    The magnitude of the Jahn-Teller (JT) effect in NO_3 has been the subject of considerable research in our group and other groups around the world. The rotational contour of the 4^1_0 vibronic band was first described by Hirota and coworkers using an oblate symmetric top. Near-infrared band of the nitrate radical NO_3 observed by diode laser spectroscopy. J. Chem. Phys., 107:2829, 1997.} Deev et al. argued that an asymmetric top was required to describe the 2^1_0 band, although their spectrum was not completely rotationally resolved. These discrepancies suggest that a rotational analysis will provide considerable experimental information on the geometry of NO_3. Our group has collected high-resolution, rotationally resolved spectra of the vibronic tilde{A}^2E'' ← tilde{X}^2A'_2 transitions. We have completed analysis of the 3^1_0 and 3^1_04^1_0 parallel bands with a_1'' symmetry by using an oblate symmetric top with spin-rotation and centrifugal distortions. Several other parallel bands are now also reasonably understood. This analysis is consistent with a D3h geometry for NO_3. In order to analyze the perpendicular bands with e' symmetry, we have adapted the oblate symmetric top Hamiltonian from the previous analysis to include spin-orbit coupling, coriolis coupling, and Watson Terms (JT distortions) that allow the oblate symmetric top Hamiltonian to transition continuously to the distorted limit of C2v symmetry. Preliminary analysis of the 2^1_0 and 2^1_04^2_0 bands has shown generally good agreement between model and experimental spectra. Our results indicate only modest JT distortions, although we do find evidence of multiple perturbations between these bands and high vibrational levels of the tilde{X} state. We will present our adapted Hamiltonian and the analysis of the 3^1_0, 3^1_04^1_0, 2^1_0, and 2^1_04^2_0 bands. E. Hirota, T. Ishiwata, K. Kawaguchi, M. Fujitake, N. Ohashi, and I. Tanaka. Near-infrared band of the nitrate radical NO_3 observed by diode

  11. Ab initio studies of the interaction potential for the Xe-NO(X2Π) van der Waals complex: bound states and fully quantum and quasi-classical scattering.

    PubMed

    Kłos, J; Aoiz, F J; Menéndez, M; Brouard, M; Chadwick, H; Eyles, C J

    2012-07-07

    Adiabatic potential energy surfaces for the ground electronic state of the Xe⋅⋅⋅NO(X(2)Π) van der Waals complex have been calculated using the spin-restricted coupled cluster method with single, double, and non-iterative triple excitations (RCCSD(T)). The scalar relativistic effects present in the Xe atom were included by an effective core potential and we extended the basis with bond functions to improve the description of the dispersion interaction. It has been found that the global minimum on the A(') adiabatic surface occurs at a T-shaped geometry with γ(e) = 94° and R(e) = 7.46 a(0), and with well depth of D(e) = 148.68 cm(-1). There is also an additional local minimum for the collinear geometry Xe-NO with a well depth of 104.5 cm(-1). The adiabat of A('') symmetry exhibits a single minimum at a distance R(e) = 7.68 a(0) and has a skewed geometry with γ(e) = 64° and a well depth of 148.23 cm(-1). Several C(nl) van der Waals dispersion coefficients are also estimated, of which C(6, 0) and C(6, 2) are in a reasonable agreement with previous theoretical results obtained by Nielson et al. [J. Chem. Phys. 64, 2055 (1976)]. The new potential energy surfaces were used to calculate bound states of the complex for total angular momentum quantum numbers up to J = 7/2. The ground state energy of Xe⋅⋅⋅NO(X(2)Π) is D(0) = 117 cm(-1), which matches the experimental value very accurately (within 3.3%). Scattering calculations of integral and differential cross sections have also been performed using fully quantum close coupling calculations and quasi-classical trajectory method at a collision energy of 63 meV. These calculations reveal the important role played by L-type rainbows in the scattering dynamics of the heavier Rg-NO(X) systems.

  12. Quarkonium production

    SciTech Connect

    Arnd Meyer

    2001-03-28

    Results on the production of heavy Quarkonia ({psi} and {Upsilon} families) from the HERA and Tevatron colliders are presented. The interpretation of the measurements in terms of perturbative QCD is critically reviewed.

  13. Absolute Integral Cross Sections for the State-selected Ion-Molecule Reaction N2+(X2Σg+ v+ = 0-2) + C2H2 in the Collision Energy Range of 0.03-10.00 eV

    NASA Astrophysics Data System (ADS)

    Xu, Yuntao; Xiong, Bo; Chung Chang, Yih; Ng, C. Y.

    2016-08-01

    Using the vacuum ultraviolet laser pulsed field ionization-photoion source, together with the double-quadrupole-double-octopole mass spectrometer developed in our laboratory, we have investigated the state-selected ion-molecule reaction {{{{N}}}2}+({X}2{{{{Σ }}}{{g}}}+; v + = 0-2, N+ = 0-9) + C2H2, achieving high internal-state selectivity and high kinetic energy resolution for reactant {{{{N}}}2}+ ions. The charge transfer (CT) and hydrogen-atom transfer (HT) channels, which lead to the respective formation of product {{{C}}}2{{{{H}}}2}+ and N2H+ ions, are observed. The vibrationally selected absolute integral cross sections for the CT [σ CT(v +)] and HT [[σ HT(v +)] channels obtained in the center-of-mass collision energy (E cm) range of 0.03-10.00 eV reveal opposite E cm dependences. The σ CT(v +) is found to increase as E cm is decreased, and is consistent with the long-range exothermic CT mechanism, whereas the E cm enhancement observed for the σ HT(v +) suggests effective coupling of kinetic energy to internal energy, enhancing the formation of N2H+. The σ HT(v +) curve exhibits a step at E cm = 0.70-1.00 eV, suggesting the involvement of the excited {{{C}}}2{{{{H}}}2}+({A}2{{{{Σ }}}{{g}}}+) state in the HT reaction. Contrary to the strong E cm dependences for σ CT(v +) and σ HT(v +), the effect of vibrational excitation of {{{{N}}}2}+ on both the CT and HT channels is marginal. The branching ratios and cross sections for the CT and HT channels determined in the present study are useful for modeling the atmospheric compositions of Saturn's largest moon, Titan. These cross sections and branching ratios are also valuable for benchmarking theoretical calculations on chemical dynamics of the titled reaction.

  14. Expression of the multidrug resistance gene product (P-glycoprotein) in human normal and tumor tissues.

    PubMed

    Cordon-Cardo, C; O'Brien, J P; Boccia, J; Casals, D; Bertino, J R; Melamed, M R

    1990-09-01

    We have characterized the normal human tissue distribution and tumor expression of the human multidrug resistance gene (MDR1) product P-glycoprotein (Pgp) by immunohistochemical staining of frozen tissue sections of human normal and tumor tissues, using three mouse monoclonal antibodies (MAb) which recognize at least two different epitopes of Pgp. Pgp expression on normal human tissues was detected in specialized epithelial cells with secretory/excretory functions, trophoblasts in the placenta, and on endothelial cells of capillary blood vessels at blood-tissue barrier sites. There were significant differences in the staining patterns of these MAb. Mouse MAb HYB-241 and HYB-612 each recognize an extracellular epitope of Pgp, whereas mouse MAb C219 detects a carboxy terminal intracellular epitope and has recently been reported to crossreact with the MDR3 gene product. HYB-241 and HYB-612 strongly stain endothelial cells and trophoblasts, whereas C219 is weakly positive or unreactive on these cells. Likewise, C219 strongly stains the biliary pole of hepatocytes, skeletal and heart muscle fibers, whereas HYB-241 and HYB-612 are unreactive on these cells. Immunopathological studies were performed on a wide variety of human tumors. Pgp expression on human tumors was most commonly detected in colon. renal, and adrenal carcinomas; rarely in lung and gastric carcinomas and certain germ cell tumors; and was undetectable in breast and endometrial carcinomas tested. Few sarcomas and none of the melanomas, neuroblastomas, gliomas, and pheochromocytomas had detectable Pgp expression. Intensity and pattern of staining varied among different cases of a given tumor type; although homogeneous immunoreactivity was observed, heterogeneity of expression in a single histological section was more common. The finding of Pgp expression in a variety of normal tissues with diverse physiological functions suggests that the role of Pgp may not be limited to excretion of xenobiotics. Pgp

  15. Fourier Transform Microwave Spectroscopy of Sc13C2 and Sc12C13C: Establishing AN Accurate Structure of ScC2 (tilde{X}2A1)

    NASA Astrophysics Data System (ADS)

    Burton, Mark; Halfen, DeWayne T.; Min, Jie; Ziurys, Lucy M.

    2016-06-01

    Pure rotational spectra of Sc13C2 and Sc12C13C (tilde{X}2A1) have been obtained using Fourier Transform Microwave methods. These molecules were created from scandium vapor in combination with 13CH4 and/or 12CH4, diluted in argon, using a Discharge Assisted Laser Ablation Source (DALAS). Transitions in the frequency range of 14-30 GHz were observed for both species including hyperfine splitting due to the nuclear spin of Sc (I = 7/2) and 13C (I = 1/2). Rotational, spin-rotational, and hyperfine constants have been determined for Sc13C2 and Sc12C13C, as well as a refined structure for ScC2. In agreement with theoretical calculations and previous Sc12C2 results, these data confirm a cyclic (or T-shaped) structure for this molecule. Scandium carbides have been shown to form endohedral-doped fullerenes, which have unique electrical and magnetic properties due to electron transfer between the metal and the carbon-cage. Spectroscopy of ScC2 provides data on model systems for comparison with theory.

  16. Hydrothermal synthesis, structures and optical properties of A2Zn3(SeO3)4·XH2O (A=Li, Na, K; X=2 or 0)

    NASA Astrophysics Data System (ADS)

    Liu, Yunsheng; Mei, Dajiang; Xu, Jingli; Wu, Yuandong

    2015-12-01

    New alkali metal zinc selenites, A2Zn3(SeO3)4·XH2O (A=Li, Na, K; X=2 or 0) were prepared through hydrothermal reactions. Li2Zn3(SeO3)4·2H2O (1) crystallizes in the monoclinic space group P21/c with lattice parameters a=8.123(4), b=9.139(4), c=7.938(3) Å, β=112.838(9)°. Na2Zn3(SeO3)4·2H2O (2) crystallizes in the monoclinic space group C2/c with lattice parameters a=15.7940(18), b=6.5744(8), c=14.6787(17) Å, β=107.396(3)°. K2Zn3(SeO3)4 (3) crystallizes in the monoclinic space group C2/c with lattice parameters a=11.3584(12), b=8.6091(9), c=13.6816(14) Å, β=93.456(2)°. The anionic structures are composed of [Zn3O12]18- sheets, chains, and "isolated" units in compound 1, 2, 3, respectively, and trigonal pyramids SeO32-. The compounds were characterized by the solid state UV-vis-NIR diffuse reflectance spectroscopy, infrared spectra and thermogravimetric analysis.

  17. Pseudo Jahn-Teller origin of instability of planar configurations of hexa-heterocycles. Application to compounds with 1,2- and 1,4-C4X2 skeletons (X = O, S, Se, Te)

    NASA Astrophysics Data System (ADS)

    Ilkhani, Ali R.; Hermoso, Willian; Bersuker, Isaac B.

    2015-10-01

    The driving force of symmetry breaking in planar molecular-ring systems in nondegenerate states is the pseudo Jahn-Teller effect (PJTE), and the knowledge of the mechanism of the latter allows one to manipulate the molecular properties, in particular, by restoring the planar configuration. We explore the PJTE induced structural nonplanarity in a series of 12 hexa-heterocycles with a C4X2 skeleton, 1,2- and 1,4-dichalcogenins with X = O, S, Se, Te, and a variety of ligands (H, F, Cl, Br). All the structures are optimized in both distorted equilibrium and unstable planar configurations, and the vibrational frequencies of the latter are evaluated. Then the energy profiles of the ground and several excited states in the planar configuration along the coordinate of instability are calculated, the excited states producing the instability of the ground state via the PJTE are revealed, and the vibronic coupling constants are estimated by means of fitting the solutions of the secular equations to the corresponding energy profiles.

  18. A nine-dimensional global potential energy surface for NH4(X(2)A(1)) and kinetics studies on the H + NH3↔ H2 + NH2 reaction.

    PubMed

    Li, Jun; Guo, Hua

    2014-04-14

    Extensive ab initio calculations of the stationary points in the NH4(X(2)A1) system are reported using both coupled cluster and multi-reference configuration interaction methods. In addition, more than 100 000 points are generated over a large configuration space and energy range (6 eV) using the explicitly correlated unrestricted coupled cluster method with single, double, and perturbative triple excitations with the augmented correlation-consistent polarized triple zeta basis set (UCCSD(T)-F12a/aug-cc-pVTZ). Using the recently proposed permutation-invariant polynomial neural network (PIP-NN) method, these points are accurately fit to an analytical form with a total root mean squared error (RMSE) of 3.4 meV (0.08 kcal mol(-1)). Both the abstraction and exchange channels as well as the metastable ammonium radical (NH4) are included in this potential energy surface. Transition-state theory and quasi-classical trajectory calculations have been performed to obtain the rate constants for the abstraction reaction and its reverse. Comparison with available experimental results is satisfactory, providing supporting evidence for the accuracy of the potential.

  19. Acid-sensing ion channel 3 or P2X2/3 is involved in the pain-like behavior under a high bone turnover state in ovariectomized mice.

    PubMed

    Kanaya, Kumiko; Iba, Kousuke; Abe, Yasuhisa; Dohke, Takayuki; Okazaki, Shunichiro; Matsumura, Tadaki; Yamashita, Toshihiko

    2016-04-01

    We have recently demonstrated that pathological changes leading to increased bone resorption by osteoclast activation are related to the induction of pain-like behavior in ovariectomized (OVX) mice. In addition, bisphosphonate and the antagonist of transient receptor potential vanilloid type 1 (TRPV1), an acid-sensing nociceptor, improved the threshold value of pain-like behaviors accompanying an improvement in the acidic environment in the bone tissue based on osteoclast inactivation. The aim of this study was to evaluate the effect of (i) an inhibitor of vacuolar H(+) -ATPase, known as an proton pump, (ii) an antagonist of acid-sensing ion channel (ASIC) 3, as another acid-sensing nociceptor, and (iii) the P2X2/3 receptor, as an ATP-ligand nociceptor, on pain-like behavior in OVX mice. This inhibitor and antagonists were found to improve the threshold value of pain-like behavior in OVX mice. These results indicated that the skeletal pain accompanying osteoporosis is possibly associated with the acidic microenvironment and increased ATP level caused by osteoclast activation under a high bone turnover state.

  20. Incommensurate modulation and thermal expansion of Sr3B(2 + x)Si(1 - x)O(8 - x/2) solid solutions.

    PubMed

    Volkov, Sergey; Bubnova, Rimma; Bolotina, Nadezhda; Krzhizhanovskaya, Maria; Belousova, Olga; Filatov, Stanislav

    2015-10-01

    Crystal structures of Sr3B(2 + x)Si(1 - x)O(8 - x/2) solid solutions with nominal compositions x = 0.28, 0.53, 0.78 in the Sr3B2SiO8-Sr2B2O5 section of the SrO-B2O3-SiO2 system are refined using single-crystal X-ray diffraction data. Incommensurate structure modulations are mainly associated with various orientations of corner-sharing (B,Si)-polyhedra. Preference is given to the (3 + 2)-dimensional symmetry group Pnma(0βγ)000(0βγ)000 for a single crystal compared with an alternate model of a twin formed by monoclinic components, each of them corresponding to the (3 + 1)-dimensional symmetry group P2(1)/n(0βγ). Single-phase polycrystalline samples of solid solutions are investigated by high-temperature X-ray powder diffraction in air. Orientation preferences of the BO3 units lead to a strong anisotropy of thermal expansion. Negative expansion is observed along the a axis over the temperature range 303-753 K. Anisotropy decreases both on heating and decreasing of the boron content.

  1. Energy-storage properties and electrocaloric effect of Pb(1-3x/2)LaxZr0.85Ti0.15O3 antiferroelectric thick films.

    PubMed

    Zhao, Ye; Hao, Xihong; Zhang, Qi

    2014-07-23

    Antiferroelectric (AFE) thick (1 μm) films of Pb(1-3x/2)LaxZr0.85Ti0.15O3 (PLZT) with x = 0.08, 0.10, 0.12, and 0.14 were deposited on LaNiO3/Si (100) substrates by a sol-gel method. The dielectric properties, energy-storage performance, electrocaloric effect, and leakage current behavior were investigated in detail. With increasing La content, dielectric constant and saturated polarizations of the thick films were gradually decreased. A maximum recoverable energy-storage density of 38 J/cm(3) and efficiency of 71% were achieved in the thick films with x = 0.12 at room temperature. A large reversible adiabatic temperature change of ΔT = 25.0 °C was presented in the thick films with x = 0.08 at 127 °C at 990 kV/cm. Moreover, all the samples had a lower leakage current density below 10(-6) A/cm(2) at room temperature. These results indicated that the PLZT AFE thick films could be a potential candidate for applications in high energy-storage density capacitors and cooling devices.

  2. COSMO-RS analysis on mixing properties obtained for the systems 1-butyl-X-methylpyridinium tetrafluoroborate [X = 2,3,4] and 1,ω-dibromoalkanes [ω = 1-6].

    PubMed

    Navas, Ana; Ortega, Juan; Palomar, José; Díaz, Carlos; Vreekamp, Remko

    2011-05-07

    A theoretical-experimental study for a set of 18 binary systems comprised of [bXmpy][BF(4)] (X=2-4) + 1,ω-Br(CH(2))(v)Br (v =ω=1-6) at a temperature of 298.15 K is presented. The solubility curves are determined for each binary system, establishing the intervals of measurement for the excess properties, H(E)(m) and V(E)(m). These properties are then determined for those systems that present a miscibility zone. Binary systems containing 1,ω-dibromoalkanes with ω=5,6 present reduced solubility intervals at the temperature of 298.15 K. However, the mixtures with 1,1-dibromomethane were totally miscible with the three isomers of 1-butyl-X-methylpyridinium tetrafluoroborate. Mixtures with dibromomethane present H(E)(m) <0, whereas H(E)(m) >0 for the other binary systems. Sigmoidal curves were observed for the V(E)(m) describing expansion and contraction processes for all the systems, except for the mixtures of [b2mpy][BF(4)] with the smaller dibromoalkanes, which present contraction effects. The COSMO-RS methodology was used to estimate the solubilities and the intermolecular interaction energies, giving an acceptable explanation of the behavioral structure of pure compounds and solutions.

  3. Nd2±xZr2∓xO7±x/2 (-0.2≤x≤0.4) complex oxides: Effect of anion disorder on ionic conductivity

    NASA Astrophysics Data System (ADS)

    Anithakumari, P.; Grover, V.; Tyagi, A. K.

    2016-05-01

    In the present work, a series of Nd2±xZr2∓xO7±x/2 (-0.2≤x≤0.4) was prepared by self assisted gel-combution method followed by high temperature sintering at 1673 K. Thorough structural characterizations were done by X-ray diffraction and Raman spectroscopic techniques. The nominal compositions Nd1.6Zr2.4O7.2 and Nd1.8Zr2.2O7.1 were found to possess single-phasic pyrochlore structure whereas Nd2.0Zr2.0O7 and Nd2.2Zr1.8O6.9 consisted of a pyrochlore phase and a small amount of hexagonal Nd2O3 as an impurity phase. Electrical behavior of the samples was examined by AC impedance analysis. Even though the activation energies of all the samples are not very different, a high pre-exponential factor for the Nd1.6Zr2.4O7.2 composition resulted in high ionic conductivity (3.37 × 10-3 Scm-1 at 773 K). This high ionic conductivity value makes it a superior candidate as an electrolyte material for SOFC applications.

  4. Tuning static and high frequency magnetic properties of SrFe12-x(Mn0.5Co0.5Ti)x/2O19 nanoparticles and thin films via chemical control

    NASA Astrophysics Data System (ADS)

    Ghasemi, Ali

    2015-03-01

    This study is intended to evaluate the structural, magnetic, and reflection loss of Mn-Co-Ti susbtituted strontium hexaferrite SrFe12-x(Mn0.5Co0.5Ti)x/2O19 nanoparticles with x=0-2.5 synthesized by a sol-gel combustion method. The thin films of ferrite with the same composition were also prepared. These particles were evaluated to characterize the structural, magnetic, and reflection loss properties of prepared samples by use of X-ray diffraction, field-emission scanning electron microscopy, Mössbauer spectroscopy, vibrating-sample magnetometer, and vector network analyzer. The XRD and SEM results confirmed the presence of strontium ferrite phase with magnetoplumbite structure and narrow size distribution in all synthesized samples. The substituted cations were located in 4f1 and 2b sites. According to hysteresis loops, magnetization increased and coercivity decreased. The reflection loss characteristics of this ferrite were investigated in the12-18 GHz range. SEM and AFM micrographs showed that with an increase in substitution content, the grain size increases. Magnetic susceptibility of thin films was characterized and it was found that the real parts of susceptibility were decreased by an increase in substitution content, while imaginary parts enhanced.

  5. New insights into the comprehension of the magnetic properties of dinuclear Mn(III) compounds with the general formula [{MnL(NN)}2(μ-O)(μ-n-RC6H4COO)2]X2.

    PubMed

    Escriche-Tur, Luis; Font-Bardia, Mercè; Albela, Belén; Corbella, Montserrat

    2016-07-19

    Five new dinuclear Mn(iii) compounds with benzoato derivative bridges [{Mn(bpy)L}2(μ-O)(μ-n-RC6H4COO)2]X2 (n-R = 3-MeO, 4-MeO and 4-tBu, X = NO3(-) and ClO4(-)) were synthesised and characterised. According to X-ray diffraction, the X anions tend to be coordinated to the Mn ions and may occupy the place of the monodentate ligand L. Two structural isomers that only differ in one of their monodentate ligands have been obtained with the 3-MeOC6H4COO(-) bridges. For all compounds, the Mn(iii) ions display elongated octahedra with a pronounced rhombic distortion. To quantify these distortions separately, the elongation and rhombicity parameters Δ and ρ have been defined. The magnetic study shows a good relationship between the distortion of the coordination polyhedra and the zero field splitting parameters (DMn and EMn). From the magnetic data of a powder sample, it is possible to determine the sign and magnitude of DMn for ferromagnetic systems or weak antiferromagnetic systems with DMn < 0. For this kind of dinuclear compound, the R group at the meta position, the rhombic distortion of the octahedra, and large torsion angles between the Jahn-Teller axes lead to ferromagnetic interactions.

  6. BaFe2(As1‑x P x )2 (x = 0.22‑0.42) thin films grown on practical metal–tape substrates and their critical current densities

    NASA Astrophysics Data System (ADS)

    Hiramatsu, Hidenori; Sato, Hikaru; Kamiya, Toshio; Hosono, Hideo

    2017-04-01

    We optimized the substrate temperature (T s) and phosphorus concentration (x) of BaFe2(As1‑x P x )2 films on practical metal–tape substrates for pulsed laser deposition from the viewpoints of crystallinity, superconductor critical temperature (T c), and critical current density (J c). It was found that the optimum T s and x values are 1050 °C and x = 0.28, respectively. The optimized film exhibits {{T}{{c}}}{{onset}}=26.6 and {{T}{{c}}}{{zero}}=22.4 {{K}} along with a high self-field J c at 4 K (∼1 MA cm‑2) and relatively isotropic J c under magnetic fields up to 9 T. Unexpectedly, we found that lower crystallinity samples, which were grown at a higher T s of 1250 °C than the optimized T s = 1050 °C, exhibit higher J c along the ab plane under high magnetic fields than the optimized samples. The presence of horizontal defects that act as strong vortex pinning centers, such as stacking faults, are a possible origin of the high J c values in the poor crystallinity samples.

  7. New Products.

    ERIC Educational Resources Information Center

    TechTrends, 1992

    1992-01-01

    Reviews new educational technology products, including a microcomputer-based tutoring system, laser barcode reader, video/data projectors, CD-ROM for notebook computers, a system to increase a printer's power, data cartridge storage shell, knowledge-based decision tool, video illustrator, interactive videodiscs, surge protectors, scanner system,…

  8. Transplant production

    Technology Transfer Automated Retrieval System (TEKTRAN)

    For field pepper (Capsicum spp.) production, plants can be established from direct seed or transplants depending on the location and cultural practices for the specific pepper type grown. Direct seeding can result in slow, variable, and reduced plant stands due to variations in soil temperature, wat...

  9. Novolak Production

    NASA Astrophysics Data System (ADS)

    Aiba, Hiroshi

    Novolak resins are produced by reacting formaldehyde (30-55% concentration) with phenol under acidic conditions, with oxalic acid as the preferred catalyst and in special conditions, sulfuric acid. Depending on the batch size, all raw material components can be introduced into the reactor, or when there is an increase in the batch size as well as in the reactor volume, the reaction exotherm is controlled by a gradual addition of formaldehyde. Modern novolak production facilities are automated and programmed for reduced operational cost. A flow diagram of a general production line for the manufacture of novolak is shown. Recovery of the novolak is accomplished by the removal of water and devolatilization of crude novolak to molten, low-free phenol novolak resin which can be isolated as flake or pastille or dissolved in appropriate solvents. Novolak is stored either in a solid flake or pastille form or in solution. Most production is conducted under atmospheric conditions, but there are some recent, novel activities such as pressure in a hermetically-closed reactor reaching 0.1-10 MPa by using the heat of reaction without reflux to shorten reaction time, accelerating dehydration time by flash distillation, and providing economic benefit in the cost of novolak production.

  10. Household Products

    MedlinePlus

    The products you use for cleaning, carpentry, auto repair, gardening, and many other household uses can contain ingredients that can harm you, your family, and the environment. These include Oven and drain ... absorbed through the skin. People respond to toxic substances in different ways. At high ...

  11. Identification of mixed bromidochloridotellurate anions in disordered crystal structures of (bdmim)2[TeX2Y4] (X, Y=Br, Cl; bdmim=1-butyl-2,3-dimethylimidazolium) by combined application of Raman spectroscopy and solid-state DFT calculations.

    PubMed

    Närhi, Sari M; Kutuniva, Johanna; Lajunen, Marja K; Lahtinen, Manu K; Tuononen, Heikki M; Karttunen, Antti J; Oilunkaniemi, Raija; Laitinen, Risto S

    2014-01-03

    The discrete mixed [TeBrxCl6-x](2-) anions in their disordered crystal structures have been identified by using the phases prepared by the reaction of 1-butyl-2,3-dimethylimidazolium halogenides (bdmim)X with tellurium tetrahalogenides TeX4 (X=Cl, Br) as examples. Homoleptic (bdmim)2[TeX6] [X=Cl (1), Br (2)] and mixed (bdmim)2[TeBr2Cl4] (3), and (bdmim)2[TeBr4Cl2] (4) are formed depending on the choice of the reagents, and their crystal structures have been determined by single-crystal X-ray diffraction. The coordination environments of tellurium in all hexahalogenidotellurates are almost octahedral. Because of the crystallographic disorder, the mixed [TeBr2Cl4](2-) and [TeBr4Cl2](2-) anions in 3 and 4 cannot be identified in their crystal structures. Pawley refinement of the X-ray powder diffraction patterns of 1-4 indicates the presence of single phases in all four products. The solid state Raman spectra of 1-4 were assigned with help of DFT calculations that were performed both for the discrete anions in vacuum and for the complete crystal structures employing periodic boundary conditions. The fundamental vibrations of the homoleptic [TeX6](2-) (X=Cl, Br) anions could be well reproduced by the solid-state DFT computations and enabled a complete assignment of the Raman spectra. While the presence of cis-isomers in both [TeBr2Cl4](2-) and [TeBr4Cl2](2-) could be inferred by the computed fundamental vibrations, that of trans-isomers among the reaction products is, however, also possible. The pathway of the formation of [TeX4Y2](2-) isomers from TeX4 and Y(-) (X, Y=Cl, Br) was also explored by DFT calculations both in vacuum and in solution and indicated that both reactions afforded 80 mol% of cis-isomers and 20 mol% of trans-isomers.

  12. Rovibrationally selected ion-molecule collision study using the molecular beam vacuum ultraviolet laser pulsed field ionization-photoion method: charge transfer reaction of N2(+)(X 2Σg+; v+ = 0-2; N+ = 0-9) + Ar.

    PubMed

    Chang, Yih Chung; Xu, Yuntao; Lu, Zhou; Xu, Hong; Ng, C Y

    2012-09-14

    We have developed an ion-molecule reaction apparatus for state-selected absolute total cross section measurements by implementing a high-resolution molecular beam vacuum ultraviolet (VUV) laser pulsed field ionization-photoion (PFI-PI) ion source to a double-quadrupole double-octopole ion-guide mass spectrometer. Using the total cross section measurement of the state-selected N(2)(+)(v(+), N(+)) + Ar charge transfer (CT) reaction as an example, we describe in detail the design of the VUV laser PFI-PI ion source used, which has made possible the preparation of reactant N(2)(+)(X (2)Σ(g)(+), v(+) = 0-2, N(+) = 0-9) PFI-PIs with high quantum state purity, high intensity, and high kinetic energy resolution. The PFI-PIs and prompt ions produced in the ion source are shown to have different kinetic energies, allowing the clean rejection of prompt ions from the PFI-PI beam by applying a retarding potential barrier upstream of the PFI-PI source. By optimizing the width and amplitude of the pulsed electric fields employed to the VUV-PFI-PI source, we show that the reactant N(2)(+) PFI-PI beam can be formed with a laboratory kinetic energy resolution of ΔE(lab) = ± 50 meV. As a result, the total cross section measurement can be conducted at center-of-mass kinetic energies (E(cm)'s) down to thermal energies. Absolute total rovibrationally selected cross sections σ(v(+) = 0-2, N(+) = 0-9) for the N(2)(+)(X (2)Σ(g)(+); v(+) = 0-2, N(+) = 0-9) + Ar CT reaction have been measured in the E(cm) range of 0.04-10.0 eV, revealing strong vibrational enhancements and E(cm)-dependencies of σ(v(+) = 0-2, N(+) = 0-9). The thermochemical threshold at E(cm) = 0.179 eV for the formation of Ar(+) from N(2)(+)(X; v(+) = 0, N(+)) + Ar was observed by the measured σ(v(+) = 0), confirming the narrow ΔE(cm) spread achieved in the present study. The σ(v(+) = 0-2; N(+)) values obtained here are compared with previous experimental and theoretical results. The theoretical predictions

  13. Study of the formation of the apatite-type phases La9.33+x(SiO4)6O2+3x/2 synthesized from a lanthanum oxycarbonate La2O2CO3

    NASA Astrophysics Data System (ADS)

    Pons, A.; Jouin, J.; Béchade, E.; Julien, I.; Masson, O.; Geffroy, P. M.; Mayet, R.; Thomas, P.; Fukuda, K.; Kagomiya, I.

    2014-12-01

    Lanthanum silicated apatites with nominal composition La9.33+x(SiO4)6O2+3x/2 (-0.2 < x < 0.27) have been successfully synthesized by solid state reaction using a new reagent La2O2CO3 and amorphous SiO2 precursors. The formation mechanism of La2O2CO3 reagent, which cannot be purchased, has been followed by in-situ temperature depend XRD of La2O3 under CO2 atmosphere. The stability of this reagent during the synthesis step allowed to limit the formation of secondary phase La2Si2O7 and made the weighting of the reagent easier. High purity powders could be synthesized at the temperature of 1400 °C. Dense pellets (more than 98.5%) were obtained by isostatic pressing of powders calcined at 1200 °C and then sintered at 1550 °C. Traces of La2SiO5 secondary phase present in synthesized powder disappeared after densification and pure oxyapatite materials were obtained for all the compositions. Electrical measurements confirmed that conductivity behaviors of the sintered pellets were dependent to the oxygen over-stoichiometry. Indeed, a relatively high conductivity of 1 × 10-2 S cm-1 was exhibited at 800 °C for the nominal composition La9.60(SiO4)6O2.405 with low activation energy around 0.79 eV. The ionic conductivity properties were comparable with that of the earlier obtained materials.

  14. Experimental characterization of the hydride 1H shielding tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: extremely shielded hydride protons with unusually large magnetic shielding anisotropies.

    PubMed

    Garbacz, Piotr; Terskikh, Victor V; Ferguson, Michael J; Bernard, Guy M; Kędziorek, Mariusz; Wasylishen, Roderick E

    2014-02-20

    The hydride proton magnetic shielding tensors for a series of iridium(III) and rhodium(III) complexes are determined. Although it has long been known that hydridic protons for transition-metal hydrides are often extremely shielded, this is the first experimental determination of the shielding tensors for such complexes. Isolating the (1)H NMR signal for a hydride proton requires careful experimental strategies because the spectra are generally dominated by ligand (1)H signals. We show that this can be accomplished for complexes containing as many as 66 ligand protons by substituting the latter with deuterium and by using hyperbolic secant pulses to selectively irradiate the hydride proton signal. We also demonstrate that the quality of the results is improved by performing experiments at the highest practical magnetic field (21.14 T for the work presented here). The hydride protons for iridium hydride complexes HIrX2(PR3)2 (X = Cl, Br, or I; R = isopropyl, cyclohexyl) are highly shielded with isotropic chemical shifts of approximately -50 ppm and are also highly anisotropic, with spans (=δ11 - δ33) ranging from 85.1 to 110.7 ppm. The hydridic protons for related rhodium complexes HRhCl2(PR3)2 also have unusual magnetic shielding properties with chemical shifts and spans of approximately -32 and 85 ppm, respectively. Relativistic density functional theory computations were performed to determine the orientation of the principal components of the hydride proton shielding tensors and to provide insights into the origin of these highly anisotropic shielding tensors. The results of our computations agree well with experiment, and our conclusions concerning the importance of relativistic effects support those recently reported by Kaupp and co-workers.

  15. Structural, Magnetic, and Microwave Properties of SrFe12- x (Ni0.5Co0.5Sn) x/2O19 Particles Synthesized by Sol-Gel Combustion Method

    NASA Astrophysics Data System (ADS)

    Mousavinia, Mohammad; Ghasemi, Ali; Paimozd, Ebrahim

    2013-09-01

    This study is intended to evaluate the structural, magnetic, and microwave properties of Ni-Co-Sn-doped strontium hexaferrite SrFe12- x (Ni0.5Co0.5Sn) x/2 O19 particles with x = 0 to 2.5 synthesized by a sol-gel combustion method. These particles were evaluated to characterize the structural, magnetic, and reflection loss properties of prepared samples by use of x-ray diffraction (XRD), field-emission scanning electron microscopy (FE-SEM), Fourier-transform infrared (FTIR) spectroscopy, vibrating-sample magnetometer (VSM), and vector network analyzer. The XRD results confirmed the presence of strontium ferrite phase with magnetoplumbite structure in all synthesized samples. The results of FTIR analysis indicated the formation of functional groups such as metal-oxygen (Sr-O and Fe-O) and carboxylic groups during the sol-gel process. In addition, FE-SEM micrographs indicated that submicron particles with different morphologies such as spherical, pyramidal, irregular, and hexagonal platelet shapes appeared in the structure. According to hysteresis loops, magnetization and coercivity decreased due to occupation of Ni-Co-Sn cations at low levels of substitutions. The microwave absorption characteristics of this ferrite were investigated in the 8 GHz to 12 GHz frequency range. The sample with 80 wt.% ferrite content showed a maximum reflection loss of -29 dB at 9.6 GHz with 4 GHz bandwidth through the entire frequency range of 8 GHz to 12 GHz for absorber thickness of 1.5 mm. Based on microwave measurements of reflectivity, this material with the expressed chemical composition could be proposed as a good choice for electromagnetic compatibility and other practical applications such as microwave absorption at high frequencies.

  16. Tequila production.

    PubMed

    Cedeño, M

    1995-01-01

    Tequila is obtained from the distillation of fermented juice of agave plant, Agave tequilana, to which up to 49% (w/v) of an adjunct sugar, mainly from cane or corn, could be added. Agave plants require from 8 to 12 years to mature and during all this time cleaning, pest control, and slacken of land are required to produce an initial raw material with the appropriate chemical composition for tequila production. Production process comprises four steps: cooking to hydrolyze inulin into fructose, milling to extract the sugars, fermentation with a strain of Saccharomyces cerevisiae to convert the sugars into ethanol and organoleptic compounds, and, finally, a two-step distillation process. Maturation, if needed, is carried out in white oak barrels to obtain rested or aged tequila in 2 or 12 months, respectively.

  17. Induction by Glucocorticoids of Angiotensin Converting Enzyme Production from Bovine Endothelial Cells in Culture and Rat Lung In Vivo

    PubMed Central

    Mendelsohn, F. A. O.; Lloyd, C. J.; Kachel, C.; Funder, J. W.

    1982-01-01

    The effect of corticosteroids on angiotensin converting enzyme was investigated in endothelial cell cultures and intact rat lung. Cultured endothelial cells from bovine aorta showed net production of angiotensin converting enzyme (ACE) over 2 d culture in serum-free medium. Dexamethasone (DM) increased cell ACE activity six- to sevenfold at 100 nM with a threshold effect at 0.3 nM. The effect of DM on ACE production was completely inhibited by actinomycin D or cycloheximide. Deoxycorticosterone (DOC) and aldosterone were markedly less active, with a threshold near 100 nM and significant (two to threefold) stimulation of ACE activity at 1 μM. In cells incubated in the presence of 10 nM DM, DOC (10 μM) significantly inhibited ACE production compared with 10 nM DM alone, suggesting that DOC is a partial agonist/partial antagonist in this enzyme system. Protein content of cells or medium was unchanged by steroids at all doses used. In vivo, adrenalectomized rats showed lower pulmonary ACE compared with intact controls, and when injected with DM (40 μg/d for 4 d) showed a significant (twofold, P < 0.002) increase in lung ACE over oil-injected, adrenalectomized controls; serum ACE did not change. Injection with DOC (40 μg/d) or aldosterone (10 μg/d) had no effect on lung or serum ACE. Over a range (0.6 to 2,000 μg) of concentrations of DM administered daily for 7 d, the dose-response curve of DM for induction of pulmonary ACE mirrored that for thymolysis; for both, half-maximal effects were seen at ∼6 μg DM/d, and plateau levels at 60 μg/d. We conclude that glucocorticoids are potent inducers of ACE activity in endothelial cells in culture and in rat lung in vivo, and that the action of aldosterone and DOC reflects occupancy of glucocorticoid receptors. This effect may be of (patho)physiological relevance in regulating levels of ACE in local vascular beds, and thereby modulating local levels of the vasoactive peptides angiotensin II and bradykinin. PMID:6286730

  18. Product separator

    DOEpatents

    Welsh, Robert A.; Deurbrouck, Albert W.

    1976-01-20

    A secondary light sensitive photoelectric product separator for use with a primary product separator that concentrates a material so that it is visually distinguishable from adjacent materials. The concentrate separation is accomplished first by feeding the material onto a vibratory inclined surface with a liquid flow, such as a wet concentrating table. Vibrations generally perpendicular to the stream direction of flow cause the concentrate to separate from its mixture according to its color. When the concentrate and its surrounding stream reach the recovery end of the table, a detecting device notes the line of color demarcation and triggers a signal if it differs from a normal condition. If no difference is noted nothing moves on the second separator. However, if a difference is detected in the constant monitoring of the color line's location, a product splitter and recovery unit normally positioned near the color line at the recovery end, moves to a new position. In this manner the selected separated concentrate is recovered at a maximum rate regardless of variations in the flow stream or other conditions present.

  19. Using mini-rockwool blocks as growing media for limited-cluster tomato production

    NASA Technical Reports Server (NTRS)

    Logendra, L. S.; Gianfagna, T. J.; Janes, H. W.

    2001-01-01

    Rockwool is an excellent growing medium for the hydroponic production of tomato; however, the standard size rockwool blocks [4 x 4 x 2.5 inches (10 x 10 x 6.3 cm) or 3 x 3 x 2.5 inches (7.5 x 7.5 x 6.3 cm)] are expensive. The following experiments were conducted with less expensive minirock wool blocks (MRBs), on rayon polyester material (RPM) as a bench top liner, to reduce the production cost of tomatoes (Lycopersicon esculentum) grown in a limited-cluster, ebb and flood hydroponic cultivation system. Fruit yield for single-cluster plants growing in MRBs [2 x 2 x 1.6 inches (5 x 5 x 4 cm) and 1.6 x 1.6 x 1.6 inches (4 x 4 x 4 cm)] was not significantly different from plants grown in larger sized blocks (3 x 3 x 2.5 inches). When the bench top was lined with RPM, roots penetrated the RPM, and an extensive root mat developed between the RPM and the bench top. The fruit yield from plants on RPM was significantly increased compared to plants without RPM due to increases in fruit size and fruit number. RPM also significantly reduced the incidence of blossom-end rot. In a second experiment, single- and double-cluster plants were grown on RPM. Fruit yield for double-cluster plants was 40% greater than for single-cluster plants due to an increase in fruit number, although the fruit were smaller in size. As in the first experiment, fruit yield for all plants grown in MRBs was not significantly different from plants grown in the larger sized blocks. MRBs and a RPM bench liner are an effective combination in the production of limited-cluster hydroponic tomatoes.

  20. Sin(x)**2 + cos(x)**2 = 1. [programming identities using comparative combinatorial substitutions

    NASA Technical Reports Server (NTRS)

    Stoutemyer, D. R.

    1977-01-01

    Attempts to achieve tasteful automatic employment of the identities sin sq x + cos sq x = 1 and cos sq h x -sin sq h x = 1 in a manner which truly minimizes the complexity of the resulting expression are described. The disappointments of trigonometric reduction, trigonometric expansion, pattern matching, Poisson series, and Demoivre's theorem are related. The advantages of using the method of comparative combinatorial substitutions are illustrated.

  1. Metallized Products

    NASA Technical Reports Server (NTRS)

    1980-01-01

    Since the early 1960's, virtually all NASA spacecraft have used metallized films for a variety of purposes, principally thermal radiation insulation. King Seeley manufactures a broad line of industrial and consumer oriented metallized film, fabric, paper and foam in single layer sheets and multi-layer laminates. A few examples, commercialized by MPI Outdoor Safety Products, are the three ounce Thermos Emergency Blanket which reflects and retains up to 80 percent of the user's body heat helping prevent post accident shock or keeping a person warm for hours under emergency cold weather conditions.

  2. THE 2011 FEBRUARY 15 X2 FLARE, RIBBONS, CORONAL FRONT, AND MASS EJECTION: INTERPRETING THE THREE-DIMENSIONAL VIEWS FROM THE SOLAR DYNAMICS OBSERVATORY AND STEREO GUIDED BY MAGNETOHYDRODYNAMIC FLUX-ROPE MODELING

    SciTech Connect

    Schrijver, Carolus J.; Title, Alan M.; Aulanier, Guillaume; Pariat, Etienne; Delannee, Cecile E-mail: title@lmsal.com E-mail: etienne.pariat@obspm.fr

    2011-09-10

    The 2011 February 15 X2.2 flare and associated Earth-directed halo coronal mass ejection were observed in unprecedented detail with high resolution in spatial, temporal, and thermal dimensions by the Atmospheric Imaging Assembly (AIA) on the Solar Dynamics Observatory, as well as by instruments on the two STEREO spacecraft, then at near-quadrature relative to the Sun-Earth line. These observations enable us to see expanding loops from a flux-rope-like structure over the shearing polarity-inversion line between the central {delta}-spot groups of AR 11158, developing a propagating coronal front ('EIT wave'), and eventually forming the coronal mass ejection moving into the inner heliosphere. The observations support the interpretation that all of these features, including the 'EIT wave', are signatures of an expanding volume traced by loops (much larger than the flux rope only), surrounded by a moving front rather than predominantly wave-like perturbations; this interpretation is supported by previously published MHD models for active-region and global scales. The lateral expansion of the eruption is limited to the local helmet-streamer structure and halts at the edges of a large-scale domain of connectivity (in the process exciting loop oscillations at the edge of the southern polar coronal hole). The AIA observations reveal that plasma warming occurs within the expansion front as it propagates over quiet Sun areas. This warming causes dimming in the 171 A (Fe IX and Fe X) channel and brightening in the 193 and 211 A (Fe XII-XIV) channels along the entire front, while there is weak 131 A (Fe VIII and Fe XXI) emission in some directions. An analysis of the AIA response functions shows that sections of the front running over the quiet Sun are consistent with adiabatic warming; other sections may require additional heating which MHD modeling suggests could be caused by Joule dissipation. Although for the events studied here the effects of volumetric expansion are much

  3. High-Resolution Pfi-Zeke Photoelectron Spectroscopy of Cl_2: the Ground (X^+ ^2π{g}) and First Excited (A^+ ^2π{u}) Electronic States of Cl_2^+

    NASA Astrophysics Data System (ADS)

    Mollet, Sandro; Merkt, Frederic

    2012-06-01

    Recently, two studies have been devoted to the low-lying electronic states of Cl_2^+, one by PFI-ZEKE photoelectron (PE) spectroscopy of the {X}^+←{X} transition and one by laser-induced-fluorescence spectroscopy of the {A}^+→{X}^+ band system. To complement the information available on the X^+ and A^+ electronic states of Cl_2^+, we have recorded partially rotationally resolved single-photon PFI-ZEKE PE spectra of the {X}^+ ^2π{g,i}←{X} ^1Σg^+ and {A}^+ ^2π{u,i}←{X} ^1Σg^+ (i=3/2, 1/2) photoionizing transitions of Cl_2 in the wavenumber ranges 92 500-96 500 {cm}-1 and 106 750-115 500 {cm}-1. These regions correspond to transitions to low-lying vibrational levels of the X^+ state with v^+=0-5 and to transitions to vibrational levels of the X^+ state with v^+=25-45 and vibrational levels of the A^+ state with v^+≤ 7. The analysis of the rotational structure and the isotopic shifts of these spectra has enabled the derivation of an improved value of the first adiabatic ionization energy (92 647.7±0.3 {cm}-1 for 35Cl_2). In combination with measurements of ion-pair states with n≈ 1800 new values for the dissociation energies D_0 of Cl_2 and Cl_2^+ could also be derived. The potential energy function of the X^+ state of Cl_2^+ was determined in a least-squares fitting procedure. Spin-orbit splittings were derived for many vibrational levels of the X^+ and A^+ states. Combining our results with other resultsb, several low-lying vibrational levels of the upper spin-orbit component of the A^+ state could be assigned for the first time. The PFI-ZEKE PE spectra also contain a series of as yet unassigned lines and reveal numerous perturbations. J. Li, Y. Hao, J. Yang, C. Zhou, and Y. Mo}, J. Chem. Phys. 127, 104307 (2007). M. A. Gharaibeh, and D. J. Clouthier, 66th Int. Symposium on Molecular Spectroscopy, Book of Abstracts, p. 169 (2011). S. Mollet, and F. Merkt, Phys. Rev. A 82, 032510 (2010). R. P. Tuckett, and S. D. Peyerimhoff, Chem. Phys. 83, 203 (1984

  4. A new, definitive analysis of a very old spectrum: the highly perturbed A2Πu-X2Πg band system of the chlorine cation (Cl2+).

    PubMed

    Gharaibeh, Mohammed A; Clouthier, Dennis J; Kalemos, Apostolos; Lefebvre-Brion, Hélène; Field, Robert W

    2012-11-21

    The laser-induced fluorescence spectrum of jet-cooled chlorine cation has been recorded in the 500-312 nm region with high sensitivity and rigorous vibrational and spin-orbit cooling. More than 80 bands of the highly vibrationally perturbed A (2)Π(u)-X (2)Π(g) electronic transition have been detected and shown to originate from the Ω = 3/2 spin-orbit component of v = 0 of the ground state. The spectrum extends some 3700 cm(-1) to the red of any previously published report and the 0-0 band has been identified for the first time. The bands have regular rotational structure but exhibit irregular vibrational intervals and isotope splittings. Our ab initio studies show that the perturbations are due to a ΔΩ = 0 spin-orbit interaction between the A(2)Π(3/2u) and B(2)Δ(3/2u) states which have an avoided crossing at ~2.5 Å, which corresponds to v ≈ 4 of the A state. The nonadiabatic coupled equations have been solved for this two-state interaction after constructing the diabatic potentials including only the diagonal (ΔΛ = 0) spin-orbit coupling, yielding low-lying vibrational energy levels, isotope splittings, and rotational constants in good agreement with experiment. The calculations show that many of the observed bands are actually transitions to predominantly B state vibrational levels, which borrow oscillator strength from the A-X transition through spin-orbit mixing. Starting from the coupled equations solutions, we have fitted the experimental data using an effective Hamiltonian matrix that includes the vibrational energy levels of the A and B states and a single electronic spin-orbit coupling term H(SO)(AB) which has a value of 240 cm(-1). Transitions up to v' = 32 in both states have been satisfactorily fitted for all three chlorine isotopologues, providing a quantitative description of the perturbations. Transitions to higher levels are complicated by interactions with other electronic states.

  5. One-dimensional spin-crossover Iron(II) complexes bridged by intermolecular imidazole-pyridine NH...N hydrogen bonds, [Fe(HL(Me))(3)]X(2) (HL(Me) = (2-methylimidazol-4-yl-methylideneamino-2-ethylpyridine; X = PF(6), ClO(4), BF(4)).

    PubMed

    Nishi, Koshiro; Arata, Shinobu; Matsumoto, Naohide; Iijima, Seiichiro; Sunatsuki, Yukinari; Ishida, Hiroyuki; Kojima, Masaaki

    2010-02-15

    2-Methylimidazol-4-yl-methylideneamino-2-ethylpyridine (abbreviated as HL(Me)) is the 1:1 condensation product of 2-methyl-4-formylimidazole and 2-aminoethylpyridine and functions as a bidentate ligand to the iron(II) ion to produce the 3:1 complexes together with anions, [Fe(HL(Me))(3)]X(2) (X = PF(6) (1), ClO(4) (2), BF(4) (3)). The magnetic susceptibilities, differential scanning calorimetric measurements, and Mossbauer spectral measurements demonstrated that complexes 1, 2, and 3 showed a steep one-step spin crossover (SCO) between the high-spin (HS, S = 2) and low-spin (LS, S = 0) states with small thermal hysteresis. Three complexes have an isomorphous structure and are crystallized in the same monoclinic space group, C2/c, both in the HS and LS states. The iron(II) ion has the octahedral coordination geometry of a facial isomer with N(6) donor atoms of three bidentate ligands, in which an imidazole and an imine nitrogen atom per ligand participate in the formation of the coordination bond, but the pyridine nitrogen is free from coordination. The complex cation fac-[Fe(HL(Me))(3)](2+) is a chiral species with a Delta or Lambda isomer, and the adjacent Delta and Lambda isomers are linked alternately by an intermolecular imidazole-pyridine NH...N hydrogen bond to produce an achiral 1D chain. The two remaining imidazole moieties per complex are hydrogen-bonded to the anions that occupy the space among the chains. The SCO profile becomes steeper with the decrease of the anion size (73.0 A(3) for PF(6)(-), 54.4 A(3) for ClO(4)(-), and 53.4 A(3) for BF(4)(-)). The SCO transition temperature T(1/2) of the PF(6) (1), ClO(4) (2), and BF(4) (3) salts estimated from the magnetic susceptibility measurements are (T( downward arrow) = 151.8 K, T( upward arrow) = 155.3 K), (T( downward arrow) = 184.5 K, T( upward arrow) = 186.0 K), and (T( downward arrow) = 146.4 K, T( upward arrow) = 148.2 K), respectively, indicating that the T(1/2) value is not in accord with the anion

  6. Reaction mechanism and structure-reactivity relationships in the stereospecific 1,4-polymerization of butadiene catalyzed by neutral dimeric allylnickel(II) halides [Ni(C3H5)X]2 (X- = Cl-, Br-, I-): a comprehensive density functional theory study.

    PubMed

    Tobisch, S; Taube, R

    2001-09-03

    For the first time, a comprehensive and consistent picture of the catalytic cycle of 1,4-polymerization of butadiene with neutral dimeric allylnickel(II) halides [Ni(C3H5)X]2 (X = Cl- (I), Br- (II), and I- (III)) as single-site catalysts has been derived by means of quantum chemical calculations that employ a gradient-corrected density-functional method. All crucial reaction steps of the entire catalytic course have been scrutinized, taking into account butadiene pi complex formation, symmetrical and asymmetrical splitting of dimeric pi complexes, cis-butadiene insertion, and anti-syn isomerization. The present investigation examines, in terms of located structures, energies and activation barriers, the participation of postulated intermediates, in particular it aimed to clarify whether monomeric or dimeric species are the catalytically active species. Prior qualitative mechanistic assumptions are substituted by the presented theoretically well-founded and detailed analysis of both the thermodynamic and the kinetic aspects, that substantially improve the insight into the reaction course and enlarge them with novel mechanistic proposals. From a mechanistic point of view, all three catalysts exhibit common characteristics. First, chain propagation occurs by cis-butadiene insertion into the pi-butenylnickel(II) bond with nearly identical intrinsic free-energy activation barriers. Second, the reactivity of syn-butenyl forms is distinctly higher than that of anti forms. Third, the chain-propagation step is rate-determining in the entire polymerization process, and the pre-established anti-syn equilibrium can always be regarded as attained. Accordingly, neutral dimeric allylnickel(II) halides catalyze the formation of a stereo-regular trans-1,4-polymer under kinetic control following the k1t channel with butenyl(halide)(butadiene)NiII complexes being the catalytically active species. Production of a stereoregular cis-1,4-polymer with allylnickel chloride can only be

  7. Production of the spin partner of the X (3872) in e+e- collisions

    NASA Astrophysics Data System (ADS)

    Guo, Feng-Kun; Meißner, Ulf-G.; Yang, Zhi

    2015-01-01

    We study the production of the spin partner of the X (3872), which is a D*Dbar* bound state with quantum numbers JPC =2++ and named X2 (4012) here, with the associated emission of a photon in electron-positron collisions. The results show that the ideal energy region to observe the X2 (4012) in e+e- annihilations is from 4.4 GeV to 4.5 GeV, due to the presence of the S-wave Dbar*D1 (2420) and Dbar*D2 (2460) thresholds, respectively. We also point out that it will be difficult to observe the γX (4012) at the e+e- center-of-mass energy around 4.26 GeV.

  8. Software Products

    NASA Technical Reports Server (NTRS)

    1993-01-01

    MAST is a decision support system to help in the management of dairy herds. Data is collected on dairy herds around the country and processed at regional centers. One center is Cornell University, where Dr. Lawrence Jones and his team developed MAST. The system draws conclusions from the data and summarizes it graphically. CLIPS, which is embedded in MAST, gives the system the ability to make decisions without user interaction. With this technique, dairy managers can identify herd problems quickly, resulting in improved animal health and higher milk quality. CLIPS (C Language Integrated Production System) was developed by NASA's Johnson Space Center. It is a shell for developing expert systems designed to permit research, development and delivery on conventional computers.

  9. The X+ 2Πg, A+ 2Πu, B+ 2Δu, and a^+ ^4Σ u^- electronic states of Cl_2^+ studied by high-resolution photoelectron spectroscopy

    NASA Astrophysics Data System (ADS)

    Mollet, Sandro; Merkt, Frédéric

    2013-07-01

    Partially rotationally resolved pulsed-field-ionization zero-kinetic-energy photoelectron spectra of the three isotopomers (35Cl2, 35Cl37Cl, and 37Cl2) of Cl2 have been recorded in the wavenumber ranges 92 500-96 500 cm-1, corresponding to transitions to the low vibrational levels of the X+ 2Πg (Ω = 3/2, 1/2) ground state of Cl_2^+, and 106 750-115 500 cm-1, where the a^+ ^4Σ _u^-leftarrow X ^1Σ _g^+, A^+ ^2Π _uleftarrow X ^1Σ _g^+, and B^+ ^2Δ _uleftarrow X ^1Σ _g^+ band systems overlap with transitions to high vibrational levels (v+ > 25) of the X+ state. The observation of Franck-Condon-forbidden transitions to vibrational levels of the X+ state of the cation with v+ ⩾ 25 is rationalized by a mechanism involving vertical excitation of predissociative Rydberg states of mixed singlet-triplet character with an A+ ion core which are coupled to Rydberg states converging to high-v+ levels of the X+ state. The same mechanism is proposed to also be responsible for the observation of Cl+ - Cl- ion pairs and quartet states in the photoionization of Cl2. The potential energy function of the X+ state of Cl_2^+ was determined in a direct fit to the experimental data. Transitions to vibrational levels of the A+ 2Πu, 3/2 and B+ 2Δu, 3/2 states of Cl_2^+ could be identified using the results of a recent analysis of the strong perturbation between the A+ 2Πu, 3/2 and B+ 2Δu, 3/2 states of Cl_2^+ observed in the A+ - X+ band system [Gharaibeh et al., J. Chem. Phys. 137, 194317 (2012)], 10.1063/1.4765334, and transitions to several vibrational levels of the upper spin-orbit component (2Πu, 1/2) of the A+ state were detected in the photoelectron spectrum of Cl_2^+. The a^+ ^4Σ _u^-leftarrow X ^1Σ _g^+ photoelectron band system, which is nominally forbidden by single-photon ionization from the ground state was also observed for the first time and its vibrational and spin-orbit structures were analyzed. The ^4Σ _u^- state is split into two spin-orbit components with

  10. State-to-state quantum dynamics of the H((2)S) + O2(ã(1)Δ(g)) → O((3)P)+OH(X(2)Π) reaction on the first excited state of HO2(Ã(2)A').

    PubMed

    Ma, Jianyi; Guo, Hua; Xie, Changjian; Li, Anyang; Xie, Daiqian

    2011-05-14

    State-to-state differential and integral cross sections for the title reaction were calculated using an exact wave packet method on a recently developed ab initio potential energy surface of the first excited state HO(2)(Ã(2)A'). The calculation results indicate that the reaction is dominated by highly rotationally excited OH products scattered in both the forward and backward directions, consistent with the formation of a long-lived HO(2) reaction intermediate. However, a statistical model was found to overestimate the integral cross sections, due apparently to dynamical bottlenecks. In addition, a unique feature in the OH + O exit channel potential promotes rotational excitation of the departing OH product by exerting a torque force. The role of the title reaction in high temperature combustion is also discussed.

  11. Factors affecting methane production and mitigation in ruminants.

    PubMed

    Shibata, Masaki; Terada, Fuminori

    2010-02-01

    Methane (CH(4)) is the second most important greenhouse gas (GHG) and that emitted from enteric fermentation in livestock is the single largest source of emissions in Japan. Many factors influence ruminant CH(4) production, including level of intake, type and quality of feeds and environmental temperature. The objectives of this review are to identify the factors affecting CH(4) production in ruminants, to examine technologies for the mitigation of CH(4) emissions from ruminants, and to identify areas requiring further research. The following equation for CH(4) prediction was formulated using only dry matter intake (DMI) and has been adopted in Japan to estimate emissions from ruminant livestock for the National GHG Inventory Report: Y = -17.766 + 42.793X - 0.849X(2), where Y is CH(4) production (L/day) and X is DMI (kg/day). Technologies for the mitigation of CH(4) emissions from ruminants include increasing productivity by improving nutritional management, the manipulation of ruminal fermentation by changing feed composition, the addition of CH(4) inhibitors, and defaunation. Considering the importance of ruminant livestock, it is essential to establish economically feasible ways of reducing ruminant CH(4) production while improving productivity; it is therefore critical to conduct a full system analysis to select the best combination of approaches or new technologies to be applied under long-term field conditions.

  12. Electro-optical 1 x 2, 1 x N and N x N fiber-optic and free-space switching over 1.55 to 3.0 μm using a Ge-Ge(2)Sb(2)Te(5)-Ge prism structure.

    PubMed

    Hendrickson, Joshua; Soref, Richard; Sweet, Julian; Majumdar, Arka

    2015-01-12

    New device designs are proposed and theoretical simulations are performed on electro-optical routing switches in which light beams enter and exit the device either from free space or from lensed fibers. The active medium is a ~100 nm layer of phase change material (Ge(2)Sb(2)Te(5) or GeTe) that is electrically "triggered" to change its phase, giving "self-holding" behavior in each of two phases. Electrical current is supplied to that film by a pair of transparent highly doped conducting Ge prisms on both sides of the layer. For S-polarized light incident at ~80° on the film, a three-layer Fabry-Perot analysis, including dielectric loss, predicts good 1 x 2 and 2 x 2 switch performance at infrared wavelengths of 1.55, 2.1 and 3.0 μm, although the performance at 1.55 μm is degraded by material loss and prism mismatch. Proposals for in-plane and volumetric 1 x 4 and 4 x 4 switches are also presented. An unpolarized 1 x 2 switch projects good performance at mid infrared.

  13. Detection of key factors in the extraction and quantification of lycopene from tomato and tomato products.

    PubMed

    Periago, María Jesús; Rincón, Francisco; Jacob, Karin; García-Alonso, Javier; Ros, Gaspar

    2007-10-31

    The analytical process of lycopene extraction and photometrical determination was critically examined for raw tomato and processed tomato products by means of a 2 IV (15-10) Plackett-Burman experimental design in order to identify the key factors (KFs) involved. Fifteen apparent key factors (AKFs) reported in the literature were selected: sample weight (X1); volume of extraction solution (X2); antioxidant concentration (BHT, X3); neutralizing agent concentration (MgCO 3, X4); light presence during lycopene extraction (X5), homogenization velocity (X6) and time (X7), agitation time (X8), and temperature (X9) during the extraction process; water volume for separation of polar/nonpolar phases (X11); presence of inert atmosphere throughout the process (X12); time (X13), temperature (X14), and light presence (X10) during separation of phases and time delay for reading (X15). In general, higher lycopene concentrations in samples led to a higher number of key factors (KF). Thus, for raw tomato (lycopene range 1.22-2.29 mg/100 g) no KF were found, whereas for tomato sauce (lycopene range from 5.80 to 8.60 mg/100 g) one KF (X4) and for tomato paste (lycopene range from 35.80 to 51.27 mg/100 g) five KFs (X1, X2, X4, X11, and X12) were detected. For lycopene paste, X1 and X2 were identified as the KFs with the greatest impact on results, although in fact the X1/X2 ratio was the real cause. The results suggest that, with increased processing, the physical and chemical structure of lycopene becomes less important since the identified KFs explain almost 90% of variability in tomato paste but only 32% in raw tomato.

  14. Improvement of biomass production and glucoamylase activity by Candida famata using factorial design.

    PubMed

    Mosbah, Habib; Aissa, Imen; Hassad, Nahla; Farh, Dhaker; Bakhrouf, Amina; Achour, Sami

    2016-07-01

    To improve biomass production and glucoamylase activity (GA) by Candida famata, culture conditions were optimized. A 2(3) full factorial design (FFD) with a response surface model was used to evaluate the effects and interactions of pH (X1 ), time of cultivation (X2 ), and starch concentration (X3 ) on the biomass production and enzyme activity. A total of 16 experiments were conducted toward the construction of an empiric model and a first-order equation. It was found that all factors (X1 , X2 , and X3 ) and their interactions were significant at a certain confidence level (P < 0.05). Using this methodology, the optimum values of the three tested parameters were obtained as follows: pH 6; time of cultivation 24 H and starch concentration 7 g/L, respectively. Our results showed that the starch concentration (X3) has significantly influenced both dependent variables, biomass production and GA of C. famata. Under this optimized medium, the experimental biomass production and GA obtained were 1.8 ± 0.54 g/L and 0.078 ± 0.012 µmol/L/Min, about 1.5- and 1.8-fold, respectively, higher than those in basal medium. The (R(2) ) coefficients obtained were 0.997 and 0.990, indicating an adequate degree of reliability in the model. Approximately 99% of validity of the predicted value was achieved.

  15. Role of glucocorticoids in increased muscle glutamine production in starvation

    NASA Technical Reports Server (NTRS)

    Tischler, Marc E.; Henriksen, Erik J.; Cook, Paul H.

    1988-01-01

    The role of glucocorticoids in the synthesis of muscle glutamine during starvation was investigated in adrenalectomized fasted rats injected with cortisol (1 mg/100 g body weight). It was found that administration of cortisol in vivo increased (compared to nontreated starved adrenalectomized controls) the glutamine/glutamate ratio and the activity of glutamine synthetase in the diaphragm and the extensor digitorum muscles, and that these effects were abolished by prior treatment with actinomycin D or proflavine. The results obtained in in vitro experiments, using fresh-frozen soleus, extensor digitorum longus, and diaphragm muscle preparations, supported the in vivo indications of the cortisol-enhanced glutamine synthesis and protein turnover in starved adrenalectomized animals.

  16. The Conterminous United States Mineral Assessment Program; background information to accompany folio of geologic, geochemical, geophysical, and mineral resource maps of the Ajo and Lukeville 1 degree x 2 degrees quadrangles, Arizona

    USGS Publications Warehouse

    Gray, Floyd; Tosdal, R.M.; Peterson, J.A.; Cox, D.P.; Miller, R.J.; Klein, D.P.; Theobald, P.K.; Haxel, G.B.; Grubensky, M.J.; Raines, G.L.; Barton, H.N.; Singer, D.A.; Eppinger, R.G.

    1992-01-01

    Encompassing about 21,000 km 2 in southwestern Arizona, the Ajo and Lukeville 1 ? by 2 ? quadrangles have been the subject of mineral resource investigations utilizing field and laboratory studies in the disciplines of geology, geochemistry, geophysics, and Landsat imagery. The results of these studies are published as a folio of maps, figures, and tables, with accompanying discussions. Past mineral production has been limited to copper from the Ajo Mining District. In addition to copper, the quadrangles contain potentially significant resources of gold and silver; a few other commodities, including molybdenum and evaporites, may also exist in the area as appreciable resources. This circular provides background information on the mineral deposits and on the investigations and integrates the information presented in the folio. The bibliography cites references to the geology, geochemistry, geophysics, and mineral deposits of the two quadrangles.

  17. Effect of collision energy on the reaction mechanism of C((3)P) + OH(X(2) Π) → CO(X(1) Σ(+)) + H((2)S).

    PubMed

    Huang, Yanru

    2015-04-01

    Quasiclassical trajectory calculations based on a fully global ab initio potential energy surface of the rotational angular momentum polarisation of the product CO in the title reaction are reported. The alignment and orientation of the rotational angular momentum of the CO fragment in the scattering frame were found to be sensitive to the initial collision energy chosen. Differences in the angular momentum polarization at different collision energies were traced to differences in the microscopic reaction mechanism. The results of this study suggest that the title reaction is mainly dominated by an abstraction reaction mechanism (involving the short-lived and metastable intermediate complex COH) at low collision energies; however, at relatively high energies, an insertion reaction mechanism (involving the long-lived and stable intermediate complex HCO) plays a role.

  18. Biological production of products from waste gases

    DOEpatents

    Gaddy, James L.

    2002-01-22

    A method and apparatus are designed for converting waste gases from industrial processes such as oil refining, and carbon black, coke, ammonia, and methanol production, into useful products. The method includes introducing the waste gases into a bioreactor where they are fermented to various products, such as organic acids, alcohols, hydrogen, single cell protein, and salts of organic acids by anaerobic bacteria within the bioreactor. These valuable end products are then recovered, separated and purified.

  19. CD-ROM Catalog Production Products.

    ERIC Educational Resources Information Center

    Bills, Linda; Helgerson, Linda

    1989-01-01

    Compares database characteristics, access, display, editing, new records, hard copy products, hardware, and price of CD-ROM catalog production products from seven vendors: Gaylord Information Systems; General Research Corporation; The Library Corporation; OCLC; Solinet; Utlas; and the Western Library Network. (MES)

  20. By-Product Feeds

    Technology Transfer Automated Retrieval System (TEKTRAN)

    By-product feeds are generated from the production of food, fiber, and bio-energy products for human consumption. They include plant feedstuffs such as hulls, stalks, peels, and oil seed meals, and animal by-products such as blood meal, fats, bone meal, or processed organ meats. Some feed by-product...